# categories

level: 4
definition: NPKC; novel protein kinase C [EC:2.7.11.13]
href: /dbget-bin/www_bget?ko+K06068
anchor: K06068
line:
D      <a href="/dbget-bin/www_bget?ko+K06068">K06068</a>  NPKC; novel protein kinase C [EC:2.7.11.13]


level: 4
definition: GNAI; guanine nucleotide binding protein (G protein), alpha inhibiting activity polypeptide
href: /dbget-bin/www_bget?ko+K04630
anchor: K04630
line:
D      <a href="/dbget-bin/www_bget?ko+K04630">K04630</a>  GNAI; guanine nucleotide binding protein (G protein), alpha inhibiting activity polypeptide


level: 4
definition: MPDZ, MUPP1; multiple PDZ domain protein
href: /dbget-bin/www_bget?ko+K06095
anchor: K06095
line:
D      <a href="/dbget-bin/www_bget?ko+K06095">K06095</a>  MPDZ, MUPP1; multiple PDZ domain protein


level: 4
definition: VAPA; vesicle-associated membrane protein, associated protein A
href: /dbget-bin/www_bget?ko+K06096
anchor: K06096
line:
D      <a href="/dbget-bin/www_bget?ko+K06096">K06096</a>  VAPA; vesicle-associated membrane protein, associated protein A


level: 4
definition: CSDA, ZONAB; cold shock domain protein A
href: /dbget-bin/www_bget?ko+K06099
anchor: K06099
line:
D      <a href="/dbget-bin/www_bget?ko+K06099">K06099</a>  CSDA, ZONAB; cold shock domain protein A


level: 4
definition: ASH1L; ash1 (absent, small, or homeotic)-like protein
href: /dbget-bin/www_bget?ko+K06101
anchor: K06101
line:
D      <a href="/dbget-bin/www_bget?ko+K06101">K06101</a>  ASH1L; ash1 (absent, small, or homeotic)-like protein


level: 4
definition: CASK; calcium/calmodulin-dependent serine protein kinase [EC:2.7.11.1]
href: /dbget-bin/www_bget?ko+K06103
anchor: K06103
line:
D      <a href="/dbget-bin/www_bget?ko+K06103">K06103</a>  CASK; calcium/calmodulin-dependent serine protein kinase [EC:2.7.11.1]


level: 4
definition: TJP4, PILT; tight junction protein 4 (peripheral)
href: /dbget-bin/www_bget?ko+K06105
anchor: K06105
line:
D      <a href="/dbget-bin/www_bget?ko+K06105">K06105</a>  TJP4, PILT; tight junction protein 4 (peripheral)


level: 4
definition: EPB41, 4.1R; erythrocyte membrane protein band 4.1
href: /dbget-bin/www_bget?ko+K06107
anchor: K06107
line:
D      <a href="/dbget-bin/www_bget?ko+K06107">K06107</a>  EPB41, 4.1R; erythrocyte membrane protein band 4.1


level: 4
definition: RAB3B; RAB3B, member Ras oncogene family
href: /dbget-bin/www_bget?ko+K06108
anchor: K06108
line:
D      <a href="/dbget-bin/www_bget?ko+K06108">K06108</a>  RAB3B; RAB3B, member Ras oncogene family


level: 4
definition: RAB13; RAB13, member Ras oncogene family
href: /dbget-bin/www_bget?ko+K06109
anchor: K06109
line:
D      <a href="/dbget-bin/www_bget?ko+K06109">K06109</a>  RAB13; RAB13, member Ras oncogene family


level: 4
definition: EXOC3, SEC6L1; exocyst complex component 3
href: /dbget-bin/www_bget?ko+K06110
anchor: K06110
line:
D      <a href="/dbget-bin/www_bget?ko+K06110">K06110</a>  EXOC3, SEC6L1; exocyst complex component 3


level: 4
definition: EXOC4, SEC8L1; exocyst complex component 4
href: /dbget-bin/www_bget?ko+K06111
anchor: K06111
line:
D      <a href="/dbget-bin/www_bget?ko+K06111">K06111</a>  EXOC4, SEC8L1; exocyst complex component 4


level: 4
definition: AIP3, WWP3, BAIAP1; atrophin-1 interacting protein 3 (BAI1-associated protein 1)
href: /dbget-bin/www_bget?ko+K05631
anchor: K05631
line:
D      <a href="/dbget-bin/www_bget?ko+K05631">K05631</a>  AIP3, WWP3, BAIAP1; atrophin-1 interacting protein 3 (BAI1-associated protein 1)


level: 4
definition: MAGI3; membrane-associated guanylate kinase-related
href: /dbget-bin/www_bget?ko+K06112
anchor: K06112
line:
D      <a href="/dbget-bin/www_bget?ko+K06112">K06112</a>  MAGI3; membrane-associated guanylate kinase-related


level: 4
definition: GJA1, CX43; gap junction protein, alpha 1
href: /dbget-bin/www_bget?ko+K07372
anchor: K07372
line:
D      <a href="/dbget-bin/www_bget?ko+K07372">K07372</a>  GJA1, CX43; gap junction protein, alpha 1


level: 4
definition: GJA9, CX36; gap junction protein, alpha 9
href: /dbget-bin/www_bget?ko+K07373
anchor: K07373
line:
D      <a href="/dbget-bin/www_bget?ko+K07373">K07373</a>  GJA9, CX36; gap junction protein, alpha 9


level: 4
definition: PRKG; protein kinase, cGMP-dependent [EC:2.7.11.12]
href: /dbget-bin/www_bget?ko+K07376
anchor: K07376
line:
D      <a href="/dbget-bin/www_bget?ko+K07376">K07376</a>  PRKG; protein kinase, cGMP-dependent [EC:2.7.11.12]


level: 4
definition: E3.1.1.79, LIPE, HSL; hormone-sensitive lipase [EC:3.1.1.79]
href: /dbget-bin/www_bget?ko+K07188
anchor: K07188
line:
D      <a href="/dbget-bin/www_bget?ko+K07188">K07188</a>  E3.1.1.79, LIPE, HSL; hormone-sensitive lipase [EC:3.1.1.79]


level: 4
definition: PPP1R3; protein phosphatase 1, regulatory (inhibitor) subunit 3
href: /dbget-bin/www_bget?ko+K07189
anchor: K07189
line:
D      <a href="/dbget-bin/www_bget?ko+K07189">K07189</a>  PPP1R3; protein phosphatase 1, regulatory (inhibitor) subunit 3


level: 4
href: /dbget-bin/www_bget?ko+K07191
anchor: K07191
definition:
SLC2A4, GLUT4; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 4

line:
D      <a href="/dbget-bin/www_bget?ko+K07191">K07191</a>  SLC2A4, GLUT4; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 4


level: 4
definition: APS; adaptor protein with pleckstrin homology and src homology 2 domains
href: /dbget-bin/www_bget?ko+K07193
anchor: K07193
line:
D      <a href="/dbget-bin/www_bget?ko+K07193">K07193</a>  APS; adaptor protein with pleckstrin homology and src homology 2 domains


level: 4
definition: RHOQ, TC10; Ras homolog gene family, member Q
href: /dbget-bin/www_bget?ko+K07194
anchor: K07194
line:
D      <a href="/dbget-bin/www_bget?ko+K07194">K07194</a>  RHOQ, TC10; Ras homolog gene family, member Q


level: 4
definition: EXOC7, EXO70; exocyst complex component 7
href: /dbget-bin/www_bget?ko+K07195
anchor: K07195
line:
D      <a href="/dbget-bin/www_bget?ko+K07195">K07195</a>  EXOC7, EXO70; exocyst complex component 7


level: 4
definition: TRIP10, CIP4; thyroid hormone receptor interactor 10
href: /dbget-bin/www_bget?ko+K07196
anchor: K07196
line:
D      <a href="/dbget-bin/www_bget?ko+K07196">K07196</a>  TRIP10, CIP4; thyroid hormone receptor interactor 10


level: 4
definition: SREBP1, SREBF1; sterol regulatory element-binding transcription factor 1
href: /dbget-bin/www_bget?ko+K07197
anchor: K07197
line:
D      <a href="/dbget-bin/www_bget?ko+K07197">K07197</a>  SREBP1, SREBF1; sterol regulatory element-binding transcription factor 1


level: 4
definition: PRKAB; 5'-AMP-activated protein kinase, regulatory beta subunit
href: /dbget-bin/www_bget?ko+K07199
anchor: K07199
line:
D      <a href="/dbget-bin/www_bget?ko+K07199">K07199</a>  PRKAB; 5'-AMP-activated protein kinase, regulatory beta subunit


level: 4
definition: PRKAG; 5'-AMP-activated protein kinase, regulatory gamma subunit
href: /dbget-bin/www_bget?ko+K07200
anchor: K07200
line:
D      <a href="/dbget-bin/www_bget?ko+K07200">K07200</a>  PRKAG; 5'-AMP-activated protein kinase, regulatory gamma subunit


level: 4
definition: PGC1; peroxisome proliferative activated receptor, gamma, coactivator 1, alpha
href: /dbget-bin/www_bget?ko+K07202
anchor: K07202
line:
D      <a href="/dbget-bin/www_bget?ko+K07202">K07202</a>  PGC1; peroxisome proliferative activated receptor, gamma, coactivator 1, alpha


level: 4
definition: NFKBIB; nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, beta
href: /dbget-bin/www_bget?ko+K02581
anchor: K02581
line:
D      <a href="/dbget-bin/www_bget?ko+K02581">K02581</a>  NFKBIB; nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, beta


level: 4
definition: NFKBIE; nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, epsilon
href: /dbget-bin/www_bget?ko+K05872
anchor: K05872
line:
D      <a href="/dbget-bin/www_bget?ko+K05872">K05872</a>  NFKBIE; nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, epsilon


level: 4
definition: PTPN11; protein tyrosine phosphatase, non-receptor type 11 [EC:3.1.3.48]
href: /dbget-bin/www_bget?ko+K07293
anchor: K07293
line:
D      <a href="/dbget-bin/www_bget?ko+K07293">K07293</a>  PTPN11; protein tyrosine phosphatase, non-receptor type 11 [EC:3.1.3.48]


level: 4
definition: NR1C1, PPARA; nuclear receptor, subfamily 1, group C, member 1
href: /dbget-bin/www_bget?ko+K07294
anchor: K07294
line:
D      <a href="/dbget-bin/www_bget?ko+K07294">K07294</a>  NR1C1, PPARA; nuclear receptor, subfamily 1, group C, member 1


level: 4
definition: NR2B1, RXRA; nuclear receptor, subfamily 2, group B, member 1
href: /dbget-bin/www_bget?ko+K08524
anchor: K08524
line:
D      <a href="/dbget-bin/www_bget?ko+K08524">K08524</a>  NR2B1, RXRA; nuclear receptor, subfamily 2, group B, member 1


level: 4
definition: NR2B2, RXRB; nuclear receptor, subfamily 2, group B, member 2
href: /dbget-bin/www_bget?ko+K08525
anchor: K08525
line:
D      <a href="/dbget-bin/www_bget?ko+K08525">K08525</a>  NR2B2, RXRB; nuclear receptor, subfamily 2, group B, member 2


level: 4
definition: NR2B3, RXRG; nuclear receptor, subfamily 2, group B, member 3
href: /dbget-bin/www_bget?ko+K08526
anchor: K08526
line:
D      <a href="/dbget-bin/www_bget?ko+K08526">K08526</a>  NR2B3, RXRG; nuclear receptor, subfamily 2, group B, member 3


level: 4
definition: CAMKK; calcium/calmodulin-dependent protein kinase kinase [EC:2.7.11.17]
href: /dbget-bin/www_bget?ko+K07359
anchor: K07359
line:
D      <a href="/dbget-bin/www_bget?ko+K07359">K07359</a>  CAMKK; calcium/calmodulin-dependent protein kinase kinase [EC:2.7.11.17]


level: 4
href: /dbget-bin/www_bget?ko+K07299
anchor: K07299
definition:
SLC2A1, GLUT1; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 1

line:
D      <a href="/dbget-bin/www_bget?ko+K07299">K07299</a>  SLC2A1, GLUT1; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 1


level: 4
definition: FABP1, L-FABP; fatty acid-binding protein 1, liver
href: /dbget-bin/www_bget?ko+K08750
anchor: K08750
line:
D      <a href="/dbget-bin/www_bget?ko+K08750">K08750</a>  FABP1, L-FABP; fatty acid-binding protein 1, liver


level: 4
definition: FABP2; fatty acid-binding protein 2, intestinal
href: /dbget-bin/www_bget?ko+K08751
anchor: K08751
line:
D      <a href="/dbget-bin/www_bget?ko+K08751">K08751</a>  FABP2; fatty acid-binding protein 2, intestinal


level: 4
definition: FABP3; fatty acid-binding protein 3, muscle and heart
href: /dbget-bin/www_bget?ko+K08752
anchor: K08752
line:
D      <a href="/dbget-bin/www_bget?ko+K08752">K08752</a>  FABP3; fatty acid-binding protein 3, muscle and heart


level: 4
definition: FABP4, aP2; fatty acid-binding protein 4, adipocyte
href: /dbget-bin/www_bget?ko+K08753
anchor: K08753
line:
D      <a href="/dbget-bin/www_bget?ko+K08753">K08753</a>  FABP4, aP2; fatty acid-binding protein 4, adipocyte


level: 4
definition: FABP5; fatty acid-binding protein 5, epidermal
href: /dbget-bin/www_bget?ko+K08754
anchor: K08754
line:
D      <a href="/dbget-bin/www_bget?ko+K08754">K08754</a>  FABP5; fatty acid-binding protein 5, epidermal


level: 4
definition: FABP6; fatty acid-binding protein 6, ileal (gastrotropin)
href: /dbget-bin/www_bget?ko+K08755
anchor: K08755
line:
D      <a href="/dbget-bin/www_bget?ko+K08755">K08755</a>  FABP6; fatty acid-binding protein 6, ileal (gastrotropin)


level: 4
definition: FABP7; fatty acid-binding protein 7, brain
href: /dbget-bin/www_bget?ko+K08756
anchor: K08756
line:
D      <a href="/dbget-bin/www_bget?ko+K08756">K08756</a>  FABP7; fatty acid-binding protein 7, brain


level: 4
definition: NR1C3, PPARG; nuclear receptor, subfamily 1, group C, member 3
href: /dbget-bin/www_bget?ko+K08530
anchor: K08530
line:
D      <a href="/dbget-bin/www_bget?ko+K08530">K08530</a>  NR1C3, PPARG; nuclear receptor, subfamily 1, group C, member 3


level: 4
definition: E1.14.19.1; stearoyl-CoA desaturase [EC:1.14.19.1]
href: /dbget-bin/www_bget?ko+K00507
anchor: K00507
line:
D      <a href="/dbget-bin/www_bget?ko+K00507">K00507</a>  E1.14.19.1; stearoyl-CoA desaturase [EC:1.14.19.1]


level: 4
definition: CYP8B; cytochrome P450, family 8, subfamily B (sterol 12-alpha-hydroxylase) [EC:1.14.13.95]
href: /dbget-bin/www_bget?ko+K07431
anchor: K07431
line:
D      <a href="/dbget-bin/www_bget?ko+K07431">K07431</a>  CYP8B; cytochrome P450, family 8, subfamily B (sterol 12-alpha-hydroxylase) [EC:1.14.13.95]


level: 4
definition: NR1H3, LXRA; nuclear receptor, subfamily 1, group H, member 3
href: /dbget-bin/www_bget?ko+K08536
anchor: K08536
line:
D      <a href="/dbget-bin/www_bget?ko+K08536">K08536</a>  NR1H3, LXRA; nuclear receptor, subfamily 1, group H, member 3


level: 4
definition: DBI, ACBP; diazepam-binding inhibitor (GABA receptor modulator, acyl-CoA-binding protein)
href: /dbget-bin/www_bget?ko+K08762
anchor: K08762
line:
D      <a href="/dbget-bin/www_bget?ko+K08762">K08762</a>  DBI, ACBP; diazepam-binding inhibitor (GABA receptor modulator, acyl-CoA-binding protein)


level: 4
definition: OLR1; oxidised low-density lipoprotein receptor 1
href: /dbget-bin/www_bget?ko+K08763
anchor: K08763
line:
D      <a href="/dbget-bin/www_bget?ko+K08763">K08763</a>  OLR1; oxidised low-density lipoprotein receptor 1


level: 4
definition: SCP2, SCPX; sterol carrier protein 2 [EC:2.3.1.176]
href: /dbget-bin/www_bget?ko+K08764
anchor: K08764
line:
D      <a href="/dbget-bin/www_bget?ko+K08764">K08764</a>  SCP2, SCPX; sterol carrier protein 2 [EC:2.3.1.176]


level: 4
definition: MMP1; matrix metalloproteinase-1 (interstitial collagenase) [EC:3.4.24.7]
href: /dbget-bin/www_bget?ko+K01388
anchor: K01388
line:
D      <a href="/dbget-bin/www_bget?ko+K01388">K01388</a>  MMP1; matrix metalloproteinase-1 (interstitial collagenase) [EC:3.4.24.7]


level: 4
definition: LHB; luteinizing hormone beta polypeptide
href: /dbget-bin/www_bget?ko+K08521
anchor: K08521
line:
D      <a href="/dbget-bin/www_bget?ko+K08521">K08521</a>  LHB; luteinizing hormone beta polypeptide


level: 4
definition: CGA; glycoprotein hormones, alpha polypeptide
href: /dbget-bin/www_bget?ko+K08522
anchor: K08522
line:
D      <a href="/dbget-bin/www_bget?ko+K08522">K08522</a>  CGA; glycoprotein hormones, alpha polypeptide


level: 4
definition: MMP2; matrix metalloproteinase-2 (gelatinase A) [EC:3.4.24.24]
href: /dbget-bin/www_bget?ko+K01398
anchor: K01398
line:
D      <a href="/dbget-bin/www_bget?ko+K01398">K01398</a>  MMP2; matrix metalloproteinase-2 (gelatinase A) [EC:3.4.24.24]


level: 4
definition: MMP14; matrix metalloproteinase-14 (membrane-inserted) [EC:3.4.24.80]
href: /dbget-bin/www_bget?ko+K07763
anchor: K07763
line:
D      <a href="/dbget-bin/www_bget?ko+K07763">K07763</a>  MMP14; matrix metalloproteinase-14 (membrane-inserted) [EC:3.4.24.80]


level: 4
definition: NR3C3, PGR; nuclear receptor, subfamily 3, group C, member 3
href: /dbget-bin/www_bget?ko+K08556
anchor: K08556
line:
D      <a href="/dbget-bin/www_bget?ko+K08556">K08556</a>  NR3C3, PGR; nuclear receptor, subfamily 3, group C, member 3


level: 4
definition: CREB1; cAMP response element-binding protein 1
href: /dbget-bin/www_bget?ko+K05870
anchor: K05870
line:
D      <a href="/dbget-bin/www_bget?ko+K05870">K05870</a>  CREB1; cAMP response element-binding protein 1


level: 4
definition: CREB3; cAMP response element-binding protein 3
href: /dbget-bin/www_bget?ko+K09048
anchor: K09048
line:
D      <a href="/dbget-bin/www_bget?ko+K09048">K09048</a>  CREB3; cAMP response element-binding protein 3


level: 4
definition: MITF; microphthalmia-associated transcription factor
href: /dbget-bin/www_bget?ko+K09455
anchor: K09455
line:
D      <a href="/dbget-bin/www_bget?ko+K09455">K09455</a>  MITF; microphthalmia-associated transcription factor


level: 4
definition: GNAO, G-ALPHA-O; guanine nucleotide binding protein (G protein), alpha o polypeptide
href: /dbget-bin/www_bget?ko+K04534
anchor: K04534
line:
D      <a href="/dbget-bin/www_bget?ko+K04534">K04534</a>  GNAO, G-ALPHA-O; guanine nucleotide binding protein (G protein), alpha o polypeptide


level: 4
definition: E3.4.15.1, ACE; peptidyl-dipeptidase A [EC:3.4.15.1]
href: /dbget-bin/www_bget?ko+K01283
anchor: K01283
line:
D      <a href="/dbget-bin/www_bget?ko+K01283">K01283</a>  E3.4.15.1, ACE; peptidyl-dipeptidase A [EC:3.4.15.1]


level: 4
definition: ACEH, ACE2; angiotensin-converting enzyme 2 [EC:3.4.17.-]
href: /dbget-bin/www_bget?ko+K09708
anchor: K09708
line:
D      <a href="/dbget-bin/www_bget?ko+K09708">K09708</a>  ACEH, ACE2; angiotensin-converting enzyme 2 [EC:3.4.17.-]


level: 4
definition: E3.4.21.39, CMA1; chymase [EC:3.4.21.39]
href: /dbget-bin/www_bget?ko+K01329
anchor: K01329
line:
D      <a href="/dbget-bin/www_bget?ko+K01329">K01329</a>  E3.4.21.39, CMA1; chymase [EC:3.4.21.39]


level: 4
definition: E3.4.11.7, ENPEP, pepA; glutamyl aminopeptidase [EC:3.4.11.7]
href: /dbget-bin/www_bget?ko+K01261
anchor: K01261
line:
D      <a href="/dbget-bin/www_bget?ko+K01261">K01261</a>  E3.4.11.7, ENPEP, pepA; glutamyl aminopeptidase [EC:3.4.11.7]


level: 4
definition: E3.4.16.5, CTSA; carboxypeptidase C [EC:3.4.16.5]
href: /dbget-bin/www_bget?ko+K01287
anchor: K01287
line:
D      <a href="/dbget-bin/www_bget?ko+K01287">K01287</a>  E3.4.16.5, CTSA; carboxypeptidase C [EC:3.4.16.5]


level: 4
definition: E3.4.24.11, MME; neprilysin [EC:3.4.24.11]
href: /dbget-bin/www_bget?ko+K01389
anchor: K01389
line:
D      <a href="/dbget-bin/www_bget?ko+K01389">K01389</a>  E3.4.24.11, MME; neprilysin [EC:3.4.24.11]


level: 4
definition: E3.4.24.15, THOP1; thimet oligopeptidase [EC:3.4.24.15]
href: /dbget-bin/www_bget?ko+K01392
anchor: K01392
line:
D      <a href="/dbget-bin/www_bget?ko+K01392">K01392</a>  E3.4.24.15, THOP1; thimet oligopeptidase [EC:3.4.24.15]


level: 4
definition: E3.4.24.16, NLN; neurolysin [EC:3.4.24.16]
href: /dbget-bin/www_bget?ko+K01393
anchor: K01393
line:
D      <a href="/dbget-bin/www_bget?ko+K01393">K01393</a>  E3.4.24.16, NLN; neurolysin [EC:3.4.24.16]


level: 4
definition: E3.4.11.3, LNPEP; cystinyl aminopeptidase [EC:3.4.11.3]
href: /dbget-bin/www_bget?ko+K01257
anchor: K01257
line:
D      <a href="/dbget-bin/www_bget?ko+K01257">K01257</a>  E3.4.11.3, LNPEP; cystinyl aminopeptidase [EC:3.4.11.3]


level: 4
definition: E2.7.7.31, DNTT; DNA nucleotidylexotransferase [EC:2.7.7.31]
href: /dbget-bin/www_bget?ko+K00977
anchor: K00977
line:
D      <a href="/dbget-bin/www_bget?ko+K00977">K00977</a>  E2.7.7.31, DNTT; DNA nucleotidylexotransferase [EC:2.7.7.31]


level: 4
definition: MS4A1, CD20; membrane-spanning 4-domains, subfamily A, member 1
href: /dbget-bin/www_bget?ko+K06466
anchor: K06466
line:
D      <a href="/dbget-bin/www_bget?ko+K06466">K06466</a>  MS4A1, CD20; membrane-spanning 4-domains, subfamily A, member 1


level: 4
definition: CR2, CD21; complement component (3d/Epstein Barr virus) receptor 2
href: /dbget-bin/www_bget?ko+K04012
anchor: K04012
line:
D      <a href="/dbget-bin/www_bget?ko+K04012">K04012</a>  CR2, CD21; complement component (3d/Epstein Barr virus) receptor 2


level: 4
definition: FCER2, CD23; Fc receptor, IgE, low affinity II
href: /dbget-bin/www_bget?ko+K06468
anchor: K06468
line:
D      <a href="/dbget-bin/www_bget?ko+K06468">K06468</a>  FCER2, CD23; Fc receptor, IgE, low affinity II


level: 4
definition: CR1, CD35; complement component (3b/4b) receptor 1
href: /dbget-bin/www_bget?ko+K04011
anchor: K04011
line:
D      <a href="/dbget-bin/www_bget?ko+K04011">K04011</a>  CR1, CD35; complement component (3b/4b) receptor 1


level: 4
definition: FCGR1A, CD64; Fc fragment of IgG, high affinity Ia
href: /dbget-bin/www_bget?ko+K06498
anchor: K06498
line:
D      <a href="/dbget-bin/www_bget?ko+K06498">K06498</a>  FCGR1A, CD64; Fc fragment of IgG, high affinity Ia


level: 4
definition: E3.4.21.38, F12; coagulation factor XII (Hageman factor) [EC:3.4.21.38]
href: /dbget-bin/www_bget?ko+K01328
anchor: K01328
line:
D      <a href="/dbget-bin/www_bget?ko+K01328">K01328</a>  E3.4.21.38, F12; coagulation factor XII (Hageman factor) [EC:3.4.21.38]


level: 4
definition: E3.4.21.34, KLKB1; plasma kallikrein [EC:3.4.21.34]
href: /dbget-bin/www_bget?ko+K01324
anchor: K01324
line:
D      <a href="/dbget-bin/www_bget?ko+K01324">K01324</a>  E3.4.21.34, KLKB1; plasma kallikrein [EC:3.4.21.34]


level: 4
definition: E3.4.21.27, F11; coagulation factor XI [EC:3.4.21.27]
href: /dbget-bin/www_bget?ko+K01323
anchor: K01323
line:
D      <a href="/dbget-bin/www_bget?ko+K01323">K01323</a>  E3.4.21.27, F11; coagulation factor XI [EC:3.4.21.27]


level: 4
definition: E3.4.21.22, F9; coagulation factor IX (Christmas factor) [EC:3.4.21.22]
href: /dbget-bin/www_bget?ko+K01321
anchor: K01321
line:
D      <a href="/dbget-bin/www_bget?ko+K01321">K01321</a>  E3.4.21.22, F9; coagulation factor IX (Christmas factor) [EC:3.4.21.22]


level: 4
definition: F3, CD142; coagulation factor III (tissue factor)
href: /dbget-bin/www_bget?ko+K03901
anchor: K03901
line:
D      <a href="/dbget-bin/www_bget?ko+K03901">K03901</a>  F3, CD142; coagulation factor III (tissue factor)


level: 4
definition: E3.4.21.21, F7; coagulation factor VII [EC:3.4.21.21]
href: /dbget-bin/www_bget?ko+K01320
anchor: K01320
line:
D      <a href="/dbget-bin/www_bget?ko+K01320">K01320</a>  E3.4.21.21, F7; coagulation factor VII [EC:3.4.21.21]


level: 4
definition: E3.4.21.6, F10; coagulation factor X [EC:3.4.21.6]
href: /dbget-bin/www_bget?ko+K01314
anchor: K01314
line:
D      <a href="/dbget-bin/www_bget?ko+K01314">K01314</a>  E3.4.21.6, F10; coagulation factor X [EC:3.4.21.6]


level: 4
definition: F5; coagulation factor V (labile factor)
href: /dbget-bin/www_bget?ko+K03902
anchor: K03902
line:
D      <a href="/dbget-bin/www_bget?ko+K03902">K03902</a>  F5; coagulation factor V (labile factor)


level: 4
definition: FGG; fibrinogen, gamma alpha polypeptide
href: /dbget-bin/www_bget?ko+K03905
anchor: K03905
line:
D      <a href="/dbget-bin/www_bget?ko+K03905">K03905</a>  FGG; fibrinogen, gamma alpha polypeptide


level: 4
definition: F13A1; coagulation factor XIII A1 polypeptide [EC:2.3.2.13]
href: /dbget-bin/www_bget?ko+K03917
anchor: K03917
line:
D      <a href="/dbget-bin/www_bget?ko+K03917">K03917</a>  F13A1; coagulation factor XIII A1 polypeptide [EC:2.3.2.13]


level: 4
definition: F13B; coagulation factor XIII B polypeptide
href: /dbget-bin/www_bget?ko+K03906
anchor: K03906
line:
D      <a href="/dbget-bin/www_bget?ko+K03906">K03906</a>  F13B; coagulation factor XIII B polypeptide


level: 4
definition: E3.4.21.69, PROC; protein C (activated) [EC:3.4.21.69]
href: /dbget-bin/www_bget?ko+K01344
anchor: K01344
line:
D      <a href="/dbget-bin/www_bget?ko+K01344">K01344</a>  E3.4.21.69, PROC; protein C (activated) [EC:3.4.21.69]


level: 4
definition: E3.4.21.68, PLAT; tissue plasminogen activator [EC:3.4.21.68]
href: /dbget-bin/www_bget?ko+K01343
anchor: K01343
line:
D      <a href="/dbget-bin/www_bget?ko+K01343">K01343</a>  E3.4.21.68, PLAT; tissue plasminogen activator [EC:3.4.21.68]


level: 4
definition: E3.4.21.73, PLAU; urokinase plasminogen activator [EC:3.4.21.73]
href: /dbget-bin/www_bget?ko+K01348
anchor: K01348
line:
D      <a href="/dbget-bin/www_bget?ko+K01348">K01348</a>  E3.4.21.73, PLAU; urokinase plasminogen activator [EC:3.4.21.73]


level: 4
definition: E3.4.17.20, CPB2; carboxypeptidase B2 (plasma, carboxypeptidase U) [EC:3.4.17.20]
href: /dbget-bin/www_bget?ko+K01300
anchor: K01300
line:
D      <a href="/dbget-bin/www_bget?ko+K01300">K01300</a>  E3.4.17.20, CPB2; carboxypeptidase B2 (plasma, carboxypeptidase U) [EC:3.4.17.20]


level: 4
definition: SERPINE1, PAI1; plasminogen activator inhibitor-1
href: /dbget-bin/www_bget?ko+K03982
anchor: K03982
line:
D      <a href="/dbget-bin/www_bget?ko+K03982">K03982</a>  SERPINE1, PAI1; plasminogen activator inhibitor-1


level: 4
definition: PLAUR; plasminogen activator, urokinase receptor
href: /dbget-bin/www_bget?ko+K03985
anchor: K03985
line:
D      <a href="/dbget-bin/www_bget?ko+K03985">K03985</a>  PLAUR; plasminogen activator, urokinase receptor


level: 4
definition: C1QA; complement component 1, q subcomponent, alpha polypeptide
href: /dbget-bin/www_bget?ko+K03986
anchor: K03986
line:
D      <a href="/dbget-bin/www_bget?ko+K03986">K03986</a>  C1QA; complement component 1, q subcomponent, alpha polypeptide


level: 4
definition: C1QB; complement component 1, q subcomponent, beta polypeptide
href: /dbget-bin/www_bget?ko+K03987
anchor: K03987
line:
D      <a href="/dbget-bin/www_bget?ko+K03987">K03987</a>  C1QB; complement component 1, q subcomponent, beta polypeptide


level: 4
definition: C1QG; complement component 1, q subcomponent, gamma polypeptide
href: /dbget-bin/www_bget?ko+K03988
anchor: K03988
line:
D      <a href="/dbget-bin/www_bget?ko+K03988">K03988</a>  C1QG; complement component 1, q subcomponent, gamma polypeptide


level: 4
definition: E3.4.21.41, C1R; complement component 1, r subcomponent [EC:3.4.21.41]
href: /dbget-bin/www_bget?ko+K01330
anchor: K01330
line:
D      <a href="/dbget-bin/www_bget?ko+K01330">K01330</a>  E3.4.21.41, C1R; complement component 1, r subcomponent [EC:3.4.21.41]


level: 4
definition: E3.4.21.42, C1S; complement component 1, s subcomponent [EC:3.4.21.42]
href: /dbget-bin/www_bget?ko+K01331
anchor: K01331
line:
D      <a href="/dbget-bin/www_bget?ko+K01331">K01331</a>  E3.4.21.42, C1S; complement component 1, s subcomponent [EC:3.4.21.42]


level: 4
definition: E3.4.21.43, C2; complement component 2 [EC:3.4.21.43]
href: /dbget-bin/www_bget?ko+K01332
anchor: K01332
line:
D      <a href="/dbget-bin/www_bget?ko+K01332">K01332</a>  E3.4.21.43, C2; complement component 2 [EC:3.4.21.43]


level: 4
definition: E3.4.21.47, BF; component factor B [EC:3.4.21.47]
href: /dbget-bin/www_bget?ko+K01335
anchor: K01335
line:
D      <a href="/dbget-bin/www_bget?ko+K01335">K01335</a>  E3.4.21.47, BF; component factor B [EC:3.4.21.47]


level: 4
definition: E3.4.21.46, DF; component factor D [EC:3.4.21.46]
href: /dbget-bin/www_bget?ko+K01334
anchor: K01334
line:
D      <a href="/dbget-bin/www_bget?ko+K01334">K01334</a>  E3.4.21.46, DF; component factor D [EC:3.4.21.46]


level: 4
definition: MASP1; mannan-binding lectin serine protease 1 [EC:3.4.21.-]
href: /dbget-bin/www_bget?ko+K03992
anchor: K03992
line:
D      <a href="/dbget-bin/www_bget?ko+K03992">K03992</a>  MASP1; mannan-binding lectin serine protease 1 [EC:3.4.21.-]


level: 4
definition: MASP2; mannan-binding lectin serine protease 2 [EC:3.4.21.104]
href: /dbget-bin/www_bget?ko+K03993
anchor: K03993
line:
D      <a href="/dbget-bin/www_bget?ko+K03993">K03993</a>  MASP2; mannan-binding lectin serine protease 2 [EC:3.4.21.104]


level: 4
definition: C8A; complement component 8, alpha polypeptide
href: /dbget-bin/www_bget?ko+K03997
anchor: K03997
line:
D      <a href="/dbget-bin/www_bget?ko+K03997">K03997</a>  C8A; complement component 8, alpha polypeptide


level: 4
definition: C8B; complement component 8, beta polypeptide
href: /dbget-bin/www_bget?ko+K03998
anchor: K03998
line:
D      <a href="/dbget-bin/www_bget?ko+K03998">K03998</a>  C8B; complement component 8, beta polypeptide


level: 4
definition: C8G; complement component 8, gamma polypeptide
href: /dbget-bin/www_bget?ko+K03999
anchor: K03999
line:
D      <a href="/dbget-bin/www_bget?ko+K03999">K03999</a>  C8G; complement component 8, gamma polypeptide


level: 4
definition: C4BPA; complement component 4 binding protein, alpha
href: /dbget-bin/www_bget?ko+K04002
anchor: K04002
line:
D      <a href="/dbget-bin/www_bget?ko+K04002">K04002</a>  C4BPA; complement component 4 binding protein, alpha


level: 4
definition: C4BPB; complement component 4 binding protein, beta
href: /dbget-bin/www_bget?ko+K04003
anchor: K04003
line:
D      <a href="/dbget-bin/www_bget?ko+K04003">K04003</a>  C4BPB; complement component 4 binding protein, beta


level: 4
definition: E3.4.21.45, IF; complement factor I [EC:3.4.21.45]
href: /dbget-bin/www_bget?ko+K01333
anchor: K01333
line:
D      <a href="/dbget-bin/www_bget?ko+K01333">K01333</a>  E3.4.21.45, IF; complement factor I [EC:3.4.21.45]


level: 4
definition: CRRY; complement receptor related protein
href: /dbget-bin/www_bget?ko+K04005
anchor: K04005
line:
D      <a href="/dbget-bin/www_bget?ko+K04005">K04005</a>  CRRY; complement receptor related protein


level: 4
definition: TIRAP; toll-interleukin 1 receptor (TIR) domain containing adaptor protein
href: /dbget-bin/www_bget?ko+K05403
anchor: K05403
line:
D      <a href="/dbget-bin/www_bget?ko+K05403">K05403</a>  TIRAP; toll-interleukin 1 receptor (TIR) domain containing adaptor protein


level: 4
definition: IKBKE, IKKE; inhibitor of nuclear factor kappa-B kinase epsilon subunit [EC:2.7.11.10]
href: /dbget-bin/www_bget?ko+K07211
anchor: K07211
line:
D      <a href="/dbget-bin/www_bget?ko+K07211">K07211</a>  IKBKE, IKKE; inhibitor of nuclear factor kappa-B kinase epsilon subunit [EC:2.7.11.10]


level: 4
definition: TIRP, TRAM; TRIF-related adaptor molecule
href: /dbget-bin/www_bget?ko+K05409
anchor: K05409
line:
D      <a href="/dbget-bin/www_bget?ko+K05409">K05409</a>  TIRP, TRAM; TRIF-related adaptor molecule


level: 4
definition: TRIF; TIR domain containing adaptor inducing interferon-beta
href: /dbget-bin/www_bget?ko+K05842
anchor: K05842
line:
D      <a href="/dbget-bin/www_bget?ko+K05842">K05842</a>  TRIF; TIR domain containing adaptor inducing interferon-beta


level: 4
definition: TBK1; TANK-binding kinase 1 [EC:2.7.11.10]
href: /dbget-bin/www_bget?ko+K05410
anchor: K05410
line:
D      <a href="/dbget-bin/www_bget?ko+K05410">K05410</a>  TBK1; TANK-binding kinase 1 [EC:2.7.11.10]


level: 4
definition: KIR3DL; killer cell immunoglobulin-like receptor, three domains, long cytoplasmic tail
href: /dbget-bin/www_bget?ko+K07980
anchor: K07980
line:
D      <a href="/dbget-bin/www_bget?ko+K07980">K07980</a>  KIR3DL; killer cell immunoglobulin-like receptor, three domains, long cytoplasmic tail


level: 4
definition: KIR2DL; killer cell immunoglobulin-like receptor, two domains, long cytoplasmic tail
href: /dbget-bin/www_bget?ko+K07981
anchor: K07981
line:
D      <a href="/dbget-bin/www_bget?ko+K07981">K07981</a>  KIR2DL; killer cell immunoglobulin-like receptor, two domains, long cytoplasmic tail


level: 4
definition: KLRC; killer cell lectin-like receptor subfamily C
href: /dbget-bin/www_bget?ko+K06541
anchor: K06541
line:
D      <a href="/dbget-bin/www_bget?ko+K06541">K06541</a>  KLRC; killer cell lectin-like receptor subfamily C


level: 4
definition: KLRD1, CD94; killer cell lectin-like receptor subfamily D, member 1
href: /dbget-bin/www_bget?ko+K06516
anchor: K06516
line:
D      <a href="/dbget-bin/www_bget?ko+K06516">K06516</a>  KLRD1, CD94; killer cell lectin-like receptor subfamily D, member 1


level: 4
definition: KIR2DS; killer cell immunoglobulin-like receptor, two domains, short cytoplasmic tail
href: /dbget-bin/www_bget?ko+K07982
anchor: K07982
line:
D      <a href="/dbget-bin/www_bget?ko+K07982">K07982</a>  KIR2DS; killer cell immunoglobulin-like receptor, two domains, short cytoplasmic tail


level: 4
definition: NCR2; natural cytotoxicity triggering receptor 2
href: /dbget-bin/www_bget?ko+K06742
anchor: K06742
line:
D      <a href="/dbget-bin/www_bget?ko+K06742">K06742</a>  NCR2; natural cytotoxicity triggering receptor 2


level: 4
definition: TYROBP, DAP12; TYRO protein tyrosine kinase binding protein
href: /dbget-bin/www_bget?ko+K07992
anchor: K07992
line:
D      <a href="/dbget-bin/www_bget?ko+K07992">K07992</a>  TYROBP, DAP12; TYRO protein tyrosine kinase binding protein


level: 4
definition: LCK; lymphocyte-specific protein tyrosine kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K05856
anchor: K05856
line:
D      <a href="/dbget-bin/www_bget?ko+K05856">K05856</a>  LCK; lymphocyte-specific protein tyrosine kinase [EC:2.7.10.2]


level: 4
definition: FCGR3, CD16; Fc receptor, IgG, low affinity III
href: /dbget-bin/www_bget?ko+K06463
anchor: K06463
line:
D      <a href="/dbget-bin/www_bget?ko+K06463">K06463</a>  FCGR3, CD16; Fc receptor, IgG, low affinity III


level: 4
definition: NCR1; natural cytotoxicity triggering receptor 1
href: /dbget-bin/www_bget?ko+K06741
anchor: K06741
line:
D      <a href="/dbget-bin/www_bget?ko+K06741">K06741</a>  NCR1; natural cytotoxicity triggering receptor 1


level: 4
definition: NCR3; natural cytotoxicity triggering receptor 3
href: /dbget-bin/www_bget?ko+K06743
anchor: K06743
line:
D      <a href="/dbget-bin/www_bget?ko+K06743">K06743</a>  NCR3; natural cytotoxicity triggering receptor 3


level: 4
definition: FCER1G; Fc receptor, IgE, high affinity I, gamma polypeptide
href: /dbget-bin/www_bget?ko+K07983
anchor: K07983
line:
D      <a href="/dbget-bin/www_bget?ko+K07983">K07983</a>  FCER1G; Fc receptor, IgE, high affinity I, gamma polypeptide


level: 4
definition: ZAP70; zeta-chain (TCR) associated protein kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K07360
anchor: K07360
line:
D      <a href="/dbget-bin/www_bget?ko+K07360">K07360</a>  ZAP70; zeta-chain (TCR) associated protein kinase [EC:2.7.10.2]


level: 4
definition: SYK; spleen tyrosine kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K05855
anchor: K05855
line:
D      <a href="/dbget-bin/www_bget?ko+K05855">K05855</a>  SYK; spleen tyrosine kinase [EC:2.7.10.2]


level: 4
definition: MIC; MHC class I polypeptide-related sequence
href: /dbget-bin/www_bget?ko+K07985
anchor: K07985
line:
D      <a href="/dbget-bin/www_bget?ko+K07985">K07985</a>  MIC; MHC class I polypeptide-related sequence


level: 4
definition: KLRK1; killer cell lectin-like receptor subfamily K, member 1
href: /dbget-bin/www_bget?ko+K06728
anchor: K06728
line:
D      <a href="/dbget-bin/www_bget?ko+K06728">K06728</a>  KLRK1; killer cell lectin-like receptor subfamily K, member 1


level: 4
definition: HCST, DAP10; hematopoietic cell signal transducer
href: /dbget-bin/www_bget?ko+K07988
anchor: K07988
line:
D      <a href="/dbget-bin/www_bget?ko+K07988">K07988</a>  HCST, DAP10; hematopoietic cell signal transducer


level: 4
definition: CD244; CD244 natural killer cell receptor 2B4
href: /dbget-bin/www_bget?ko+K06582
anchor: K06582
line:
D      <a href="/dbget-bin/www_bget?ko+K06582">K06582</a>  CD244; CD244 natural killer cell receptor 2B4


level: 4
definition: E3.4.21.79, GZMB; granzyme B [EC:3.4.21.79]
href: /dbget-bin/www_bget?ko+K01353
anchor: K01353
line:
D      <a href="/dbget-bin/www_bget?ko+K01353">K01353</a>  E3.4.21.79, GZMB; granzyme B [EC:3.4.21.79]


level: 4
definition: PDIA3, GRP58; protein disulfide isomerase family A, member 3 [EC:5.3.4.1]
href: /dbget-bin/www_bget?ko+K08056
anchor: K08056
line:
D      <a href="/dbget-bin/www_bget?ko+K08056">K08056</a>  PDIA3, GRP58; protein disulfide isomerase family A, member 3 [EC:5.3.4.1]


level: 4
definition: IFI30, GILT; interferon, gamma-inducible protein 30
href: /dbget-bin/www_bget?ko+K08059
anchor: K08059
line:
D      <a href="/dbget-bin/www_bget?ko+K08059">K08059</a>  IFI30, GILT; interferon, gamma-inducible protein 30


level: 4
definition: E3.4.22.34, LGMN; legumain [EC:3.4.22.34]
href: /dbget-bin/www_bget?ko+K01369
anchor: K01369
line:
D      <a href="/dbget-bin/www_bget?ko+K01369">K01369</a>  E3.4.22.34, LGMN; legumain [EC:3.4.22.34]


level: 4
definition: E3.4.22.1, CTSB; cathepsin B [EC:3.4.22.1]
href: /dbget-bin/www_bget?ko+K01363
anchor: K01363
line:
D      <a href="/dbget-bin/www_bget?ko+K01363">K01363</a>  E3.4.22.1, CTSB; cathepsin B [EC:3.4.22.1]


level: 4
definition: E3.4.22.15, CTSL; cathepsin L [EC:3.4.22.15]
href: /dbget-bin/www_bget?ko+K01365
anchor: K01365
line:
D      <a href="/dbget-bin/www_bget?ko+K01365">K01365</a>  E3.4.22.15, CTSL; cathepsin L [EC:3.4.22.15]


level: 4
definition: E3.4.22.27, CTSS; cathepsin S [EC:3.4.22.27]
href: /dbget-bin/www_bget?ko+K01368
anchor: K01368
line:
D      <a href="/dbget-bin/www_bget?ko+K01368">K01368</a>  E3.4.22.27, CTSS; cathepsin S [EC:3.4.22.27]


level: 4
definition: CIITA; class II, major histocompatibility complex, transactivator
href: /dbget-bin/www_bget?ko+K08060
anchor: K08060
line:
D      <a href="/dbget-bin/www_bget?ko+K08060">K08060</a>  CIITA; class II, major histocompatibility complex, transactivator


level: 4
definition: RFXANK; regulatory factor X-associated ankyrin-containing protein
href: /dbget-bin/www_bget?ko+K08062
anchor: K08062
line:
D      <a href="/dbget-bin/www_bget?ko+K08062">K08062</a>  RFXANK; regulatory factor X-associated ankyrin-containing protein


level: 4
definition: RFXAP; regulatory factor X-associated protein
href: /dbget-bin/www_bget?ko+K08063
anchor: K08063
line:
D      <a href="/dbget-bin/www_bget?ko+K08063">K08063</a>  RFXAP; regulatory factor X-associated protein


level: 4
definition: NFYA; nuclear transcription factor Y, alpha
href: /dbget-bin/www_bget?ko+K08064
anchor: K08064
line:
D      <a href="/dbget-bin/www_bget?ko+K08064">K08064</a>  NFYA; nuclear transcription factor Y, alpha


level: 4
definition: NFYB; nuclear transcription factor Y, beta
href: /dbget-bin/www_bget?ko+K08065
anchor: K08065
line:
D      <a href="/dbget-bin/www_bget?ko+K08065">K08065</a>  NFYB; nuclear transcription factor Y, beta


level: 4
definition: NFYC; nuclear transcription factor Y, gamma
href: /dbget-bin/www_bget?ko+K08066
anchor: K08066
line:
D      <a href="/dbget-bin/www_bget?ko+K08066">K08066</a>  NFYC; nuclear transcription factor Y, gamma


level: 4
definition: ITK; IL2-inducible T-cell kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K07363
anchor: K07363
line:
D      <a href="/dbget-bin/www_bget?ko+K07363">K07363</a>  ITK; IL2-inducible T-cell kinase [EC:2.7.10.2]


level: 4
definition: TEC; tec protein tyrosine kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K07364
anchor: K07364
line:
D      <a href="/dbget-bin/www_bget?ko+K07364">K07364</a>  TEC; tec protein tyrosine kinase [EC:2.7.10.2]


level: 4
definition: GRAP2, GADS; GRB2-related adaptor protein 2
href: /dbget-bin/www_bget?ko+K07366
anchor: K07366
line:
D      <a href="/dbget-bin/www_bget?ko+K07366">K07366</a>  GRAP2, GADS; GRB2-related adaptor protein 2


level: 4
definition: CARD11; caspase recruitment domain family, member 11
href: /dbget-bin/www_bget?ko+K07367
anchor: K07367
line:
D      <a href="/dbget-bin/www_bget?ko+K07367">K07367</a>  CARD11; caspase recruitment domain family, member 11


level: 4
definition: MALT1; mucosa-associated lymphoid tissue lymphoma translocation protein 1 [EC:3.4.22.-]
href: /dbget-bin/www_bget?ko+K07369
anchor: K07369
line:
D      <a href="/dbget-bin/www_bget?ko+K07369">K07369</a>  MALT1; mucosa-associated lymphoid tissue lymphoma translocation protein 1 [EC:3.4.22.-]


level: 4
definition: LYN; tyrosine-protein kinase Lyn [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K05854
anchor: K05854
line:
D      <a href="/dbget-bin/www_bget?ko+K05854">K05854</a>  LYN; tyrosine-protein kinase Lyn [EC:2.7.10.2]


level: 4
definition: BTK; Bruton agammaglobulinemia tyrosine kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K07370
anchor: K07370
line:
D      <a href="/dbget-bin/www_bget?ko+K07370">K07370</a>  BTK; Bruton agammaglobulinemia tyrosine kinase [EC:2.7.10.2]


level: 4
definition: LILR; leukocyte immunoglobulin-like receptor
href: /dbget-bin/www_bget?ko+K06512
anchor: K06512
line:
D      <a href="/dbget-bin/www_bget?ko+K06512">K06512</a>  LILR; leukocyte immunoglobulin-like receptor


level: 4
definition: FCER1A; Fc receptor, IgE, high affinity I, alpha polypeptide
href: /dbget-bin/www_bget?ko+K08089
anchor: K08089
line:
D      <a href="/dbget-bin/www_bget?ko+K08089">K08089</a>  FCER1A; Fc receptor, IgE, high affinity I, alpha polypeptide


level: 4
definition: MS4A2, FCER1B; membrane-spanning 4-domains, subfamily A, member 2
href: /dbget-bin/www_bget?ko+K08090
anchor: K08090
line:
D      <a href="/dbget-bin/www_bget?ko+K08090">K08090</a>  MS4A2, FCER1B; membrane-spanning 4-domains, subfamily A, member 2


level: 4
definition: GAB2; growth factor receptor bound protein 2-associated protein 2
href: /dbget-bin/www_bget?ko+K08091
anchor: K08091
line:
D      <a href="/dbget-bin/www_bget?ko+K08091">K08091</a>  GAB2; growth factor receptor bound protein 2-associated protein 2


level: 4
definition: CYBA, P22PHOX; cytochrome b-245, alpha polypeptide
href: /dbget-bin/www_bget?ko+K08009
anchor: K08009
line:
D      <a href="/dbget-bin/www_bget?ko+K08009">K08009</a>  CYBA, P22PHOX; cytochrome b-245, alpha polypeptide


level: 4
definition: NCF2, P67PHOX; neutrophil cytosolic factor 2
href: /dbget-bin/www_bget?ko+K08010
anchor: K08010
line:
D      <a href="/dbget-bin/www_bget?ko+K08010">K08010</a>  NCF2, P67PHOX; neutrophil cytosolic factor 2


level: 4
definition: NCF1, P47PHOX; neutrophil cytosolic factor 1
href: /dbget-bin/www_bget?ko+K08011
anchor: K08011
line:
D      <a href="/dbget-bin/www_bget?ko+K08011">K08011</a>  NCF1, P47PHOX; neutrophil cytosolic factor 1


level: 4
definition: NCF4, P40PHOX; neutrophil cytosolic factor 4
href: /dbget-bin/www_bget?ko+K08012
anchor: K08012
line:
D      <a href="/dbget-bin/www_bget?ko+K08012">K08012</a>  NCF4, P40PHOX; neutrophil cytosolic factor 4


level: 4
definition: MMP9; matrix metalloproteinase-9 (gelatinase B) [EC:3.4.24.35]
href: /dbget-bin/www_bget?ko+K01403
anchor: K01403
line:
D      <a href="/dbget-bin/www_bget?ko+K01403">K01403</a>  MMP9; matrix metalloproteinase-9 (gelatinase B) [EC:3.4.24.35]


level: 4
definition: SIPA1; signal-induced proliferation-associated gene 1
href: /dbget-bin/www_bget?ko+K08013
anchor: K08013
line:
D      <a href="/dbget-bin/www_bget?ko+K08013">K08013</a>  SIPA1; signal-induced proliferation-associated gene 1


level: 4
definition: RAPGEF3, EPAC1; Rap guanine nucleotide exchange factor (GEF) 3
href: /dbget-bin/www_bget?ko+K08014
anchor: K08014
line:
D      <a href="/dbget-bin/www_bget?ko+K08014">K08014</a>  RAPGEF3, EPAC1; Rap guanine nucleotide exchange factor (GEF) 3


level: 4
definition: RAPGEF4, EPAC2; Rap guanine nucleotide exchange factor (GEF) 4
href: /dbget-bin/www_bget?ko+K04351
anchor: K04351
line:
D      <a href="/dbget-bin/www_bget?ko+K04351">K04351</a>  RAPGEF4, EPAC2; Rap guanine nucleotide exchange factor (GEF) 4


level: 4
definition: RASSF5, RAPL; Ras association (RalGDS/AF-6) domain family 5
href: /dbget-bin/www_bget?ko+K08015
anchor: K08015
line:
D      <a href="/dbget-bin/www_bget?ko+K08015">K08015</a>  RASSF5, RAPL; Ras association (RalGDS/AF-6) domain family 5


level: 4
definition: TXK, RLK; TXK tyrosine kinase [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K08016
anchor: K08016
line:
D      <a href="/dbget-bin/www_bget?ko+K08016">K08016</a>  TXK, RLK; TXK tyrosine kinase [EC:2.7.10.2]


level: 4
definition: RHOH, TTF; Ras homolog gene family, member H
href: /dbget-bin/www_bget?ko+K07873
anchor: K07873
line:
D      <a href="/dbget-bin/www_bget?ko+K07873">K07873</a>  RHOH, TTF; Ras homolog gene family, member H


level: 4
definition: PPP1R1A; protein phosphatase 1, regulatory (inhibitor) subunit 1A
href: /dbget-bin/www_bget?ko+K08050
anchor: K08050
line:
D      <a href="/dbget-bin/www_bget?ko+K08050">K08050</a>  PPP1R1A; protein phosphatase 1, regulatory (inhibitor) subunit 1A


level: 4
definition: GNAZ; guanine nucleotide binding protein (G protein), alpha z polypeptide
href: /dbget-bin/www_bget?ko+K04535
anchor: K04535
line:
D      <a href="/dbget-bin/www_bget?ko+K04535">K04535</a>  GNAZ; guanine nucleotide binding protein (G protein), alpha z polypeptide


level: 4
definition: CNGA3; cyclic nucleotide gated channel alpha 3
href: /dbget-bin/www_bget?ko+K04950
anchor: K04950
line:
D      <a href="/dbget-bin/www_bget?ko+K04950">K04950</a>  CNGA3; cyclic nucleotide gated channel alpha 3


level: 4
definition: CNGA4; cyclic nucleotide gated channel alpha 4
href: /dbget-bin/www_bget?ko+K04951
anchor: K04951
line:
D      <a href="/dbget-bin/www_bget?ko+K04951">K04951</a>  CNGA4; cyclic nucleotide gated channel alpha 4


level: 4
definition: CNGB1; cyclic nucleotide gated channel beta 1
href: /dbget-bin/www_bget?ko+K04952
anchor: K04952
line:
D      <a href="/dbget-bin/www_bget?ko+K04952">K04952</a>  CNGB1; cyclic nucleotide gated channel beta 1


level: 4
definition: CLCA1; chloride channel, calcium activated, family member 1
href: /dbget-bin/www_bget?ko+K05027
anchor: K05027
line:
D      <a href="/dbget-bin/www_bget?ko+K05027">K05027</a>  CLCA1; chloride channel, calcium activated, family member 1


level: 4
definition: CLCA2; chloride channel, calcium activated, family member 2
href: /dbget-bin/www_bget?ko+K05028
anchor: K05028
line:
D      <a href="/dbget-bin/www_bget?ko+K05028">K05028</a>  CLCA2; chloride channel, calcium activated, family member 2


level: 4
definition: CLCA3; chloride channel, calcium activated, family member 3
href: /dbget-bin/www_bget?ko+K05029
anchor: K05029
line:
D      <a href="/dbget-bin/www_bget?ko+K05029">K05029</a>  CLCA3; chloride channel, calcium activated, family member 3


level: 4
definition: CLCA4; chloride channel, calcium activated, family member 4
href: /dbget-bin/www_bget?ko+K05030
anchor: K05030
line:
D      <a href="/dbget-bin/www_bget?ko+K05030">K05030</a>  CLCA4; chloride channel, calcium activated, family member 4


level: 4
definition: SCNN1A; sodium channel, nonvoltage-gated 1, alpha
href: /dbget-bin/www_bget?ko+K04824
anchor: K04824
line:
D      <a href="/dbget-bin/www_bget?ko+K04824">K04824</a>  SCNN1A; sodium channel, nonvoltage-gated 1, alpha


level: 4
definition: SCNN1B; sodium channel, nonvoltage-gated 1, beta
href: /dbget-bin/www_bget?ko+K04825
anchor: K04825
line:
D      <a href="/dbget-bin/www_bget?ko+K04825">K04825</a>  SCNN1B; sodium channel, nonvoltage-gated 1, beta


level: 4
definition: SCNN1G; sodium channel, nonvoltage-gated 1, gamma
href: /dbget-bin/www_bget?ko+K04827
anchor: K04827
line:
D      <a href="/dbget-bin/www_bget?ko+K04827">K04827</a>  SCNN1G; sodium channel, nonvoltage-gated 1, gamma


level: 4
definition: ACCN1, BNAC1; amiloride-sensitive cation channel 1, neuronal (degenerin)
href: /dbget-bin/www_bget?ko+K04828
anchor: K04828
line:
D      <a href="/dbget-bin/www_bget?ko+K04828">K04828</a>  ACCN1, BNAC1; amiloride-sensitive cation channel 1, neuronal (degenerin)


level: 4
definition: TAS1R1; taste receptor, type 1, member 1
href: /dbget-bin/www_bget?ko+K04624
anchor: K04624
line:
D      <a href="/dbget-bin/www_bget?ko+K04624">K04624</a>  TAS1R1; taste receptor, type 1, member 1


level: 4
definition: TAS1R3; taste receptor, type 1, member 3
href: /dbget-bin/www_bget?ko+K04626
anchor: K04626
line:
D      <a href="/dbget-bin/www_bget?ko+K04626">K04626</a>  TAS1R3; taste receptor, type 1, member 3


level: 4
definition: GNB1; guanine nucleotide binding protein (G protein), beta 1
href: /dbget-bin/www_bget?ko+K04536
anchor: K04536
line:
D      <a href="/dbget-bin/www_bget?ko+K04536">K04536</a>  GNB1; guanine nucleotide binding protein (G protein), beta 1


level: 4
definition: GNB3; guanine nucleotide binding protein (G protein), beta 3
href: /dbget-bin/www_bget?ko+K07825
anchor: K07825
line:
D      <a href="/dbget-bin/www_bget?ko+K07825">K07825</a>  GNB3; guanine nucleotide binding protein (G protein), beta 3


level: 4
definition: GNG3; guanine nucleotide binding protein (G protein), gamma 3
href: /dbget-bin/www_bget?ko+K04540
anchor: K04540
line:
D      <a href="/dbget-bin/www_bget?ko+K04540">K04540</a>  GNG3; guanine nucleotide binding protein (G protein), gamma 3


level: 4
definition: GNG13; guanine nucleotide binding protein (G protein), gamma 13
href: /dbget-bin/www_bget?ko+K04547
anchor: K04547
line:
D      <a href="/dbget-bin/www_bget?ko+K04547">K04547</a>  GNG13; guanine nucleotide binding protein (G protein), gamma 13


level: 4
definition: TRPM5; transient receptor potential cation channel, subfamily M, member 5
href: /dbget-bin/www_bget?ko+K04980
anchor: K04980
line:
D      <a href="/dbget-bin/www_bget?ko+K04980">K04980</a>  TRPM5; transient receptor potential cation channel, subfamily M, member 5


level: 4
definition: TAS1R2; taste receptor, type 1, member 2
href: /dbget-bin/www_bget?ko+K04625
anchor: K04625
line:
D      <a href="/dbget-bin/www_bget?ko+K04625">K04625</a>  TAS1R2; taste receptor, type 1, member 2


level: 4
definition: KCNB1; potassium voltage-gated channel, Shab-related subfamily B, member 1
href: /dbget-bin/www_bget?ko+K04885
anchor: K04885
line:
D      <a href="/dbget-bin/www_bget?ko+K04885">K04885</a>  KCNB1; potassium voltage-gated channel, Shab-related subfamily B, member 1


level: 4
definition: ETV6_7, yan; ETS translocation variant 6/7
href: /dbget-bin/www_bget?ko+K03211
anchor: K03211
line:
D      <a href="/dbget-bin/www_bget?ko+K03211">K03211</a>  ETV6_7, yan; ETS translocation variant 6/7


level: 4
definition: ARGOS; giant-lens protein precursor (argos protein)
href: /dbget-bin/www_bget?ko+K02104
anchor: K02104
line:
D      <a href="/dbget-bin/www_bget?ko+K02104">K02104</a>  ARGOS; giant-lens protein precursor (argos protein)


level: 4
definition: EGH; egghead protein (zeste-white 4 protein)
href: /dbget-bin/www_bget?ko+K02359
anchor: K02359
line:
D      <a href="/dbget-bin/www_bget?ko+K02359">K02359</a>  EGH; egghead protein (zeste-white 4 protein)


level: 4
definition: ENC; a component of the cytoplasm (encore)
href: /dbget-bin/www_bget?ko+K02360
anchor: K02360
line:
D      <a href="/dbget-bin/www_bget?ko+K02360">K02360</a>  ENC; a component of the cytoplasm (encore)


level: 4
definition: K10; DNA binding protein (fs(1)K10, female sterile(1)K10)
href: /dbget-bin/www_bget?ko+K02524
anchor: K02524
line:
D      <a href="/dbget-bin/www_bget?ko+K02524">K02524</a>  K10; DNA binding protein (fs(1)K10, female sterile(1)K10)


level: 4
definition: RGS3; regulator of G-protein signalling 3
href: /dbget-bin/www_bget?ko+K07524
anchor: K07524
line:
D      <a href="/dbget-bin/www_bget?ko+K07524">K07524</a>  RGS3; regulator of G-protein signalling 3


level: 4
definition: EPHA1, EPH; Eph receptor A1 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05102
anchor: K05102
line:
D      <a href="/dbget-bin/www_bget?ko+K05102">K05102</a>  EPHA1, EPH; Eph receptor A1 [EC:2.7.10.1]


level: 4
definition: EPHA2, ECK; Eph receptor A2 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05103
anchor: K05103
line:
D      <a href="/dbget-bin/www_bget?ko+K05103">K05103</a>  EPHA2, ECK; Eph receptor A2 [EC:2.7.10.1]


level: 4
definition: EPHA3, HEK, TYRO4; Eph receptor A3 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05104
anchor: K05104
line:
D      <a href="/dbget-bin/www_bget?ko+K05104">K05104</a>  EPHA3, HEK, TYRO4; Eph receptor A3 [EC:2.7.10.1]


level: 4
definition: EPHA4, SEK, TYRO1; Eph receptor A4 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05105
anchor: K05105
line:
D      <a href="/dbget-bin/www_bget?ko+K05105">K05105</a>  EPHA4, SEK, TYRO1; Eph receptor A4 [EC:2.7.10.1]


level: 4
definition: EPHA5, EHK1, TYRO4; Eph receptor A5 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05106
anchor: K05106
line:
D      <a href="/dbget-bin/www_bget?ko+K05106">K05106</a>  EPHA5, EHK1, TYRO4; Eph receptor A5 [EC:2.7.10.1]


level: 4
definition: EPHA6, EHK2; Eph receptor A6 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05107
anchor: K05107
line:
D      <a href="/dbget-bin/www_bget?ko+K05107">K05107</a>  EPHA6, EHK2; Eph receptor A6 [EC:2.7.10.1]


level: 4
definition: EPHA8, EEK; Eph receptor A8 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05109
anchor: K05109
line:
D      <a href="/dbget-bin/www_bget?ko+K05109">K05109</a>  EPHA8, EEK; Eph receptor A8 [EC:2.7.10.1]


level: 4
definition: EPHB1, ELK, NET; Eph receptor B1 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05110
anchor: K05110
line:
D      <a href="/dbget-bin/www_bget?ko+K05110">K05110</a>  EPHB1, ELK, NET; Eph receptor B1 [EC:2.7.10.1]


level: 4
definition: EPHB2, ERK, DRT; Eph receptor B2 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05111
anchor: K05111
line:
D      <a href="/dbget-bin/www_bget?ko+K05111">K05111</a>  EPHB2, ERK, DRT; Eph receptor B2 [EC:2.7.10.1]


level: 4
definition: EPHB3, HEK2, ETK2; Eph receptor B3 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05112
anchor: K05112
line:
D      <a href="/dbget-bin/www_bget?ko+K05112">K05112</a>  EPHB3, HEK2, ETK2; Eph receptor B3 [EC:2.7.10.1]


level: 4
definition: EPHB4, HTK; Eph receptor B4 [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05113
anchor: K05113
line:
D      <a href="/dbget-bin/www_bget?ko+K05113">K05113</a>  EPHB4, HTK; Eph receptor B4 [EC:2.7.10.1]


level: 4
definition: NGEF, EPHEXIN; neuronal guanine nucleotide exchange factor
href: /dbget-bin/www_bget?ko+K07525
anchor: K07525
line:
D      <a href="/dbget-bin/www_bget?ko+K07525">K07525</a>  NGEF, EPHEXIN; neuronal guanine nucleotide exchange factor


level: 4
definition: ROBO1; roundabout, axon guidance receptor 1
href: /dbget-bin/www_bget?ko+K06753
anchor: K06753
line:
D      <a href="/dbget-bin/www_bget?ko+K06753">K06753</a>  ROBO1; roundabout, axon guidance receptor 1


level: 4
definition: ROBO2; roundabout, axon guidance receptor 2
href: /dbget-bin/www_bget?ko+K06754
anchor: K06754
line:
D      <a href="/dbget-bin/www_bget?ko+K06754">K06754</a>  ROBO2; roundabout, axon guidance receptor 2


level: 4
definition: ROBO3; roundabout, axon guidance receptor 3
href: /dbget-bin/www_bget?ko+K06755
anchor: K06755
line:
D      <a href="/dbget-bin/www_bget?ko+K06755">K06755</a>  ROBO3; roundabout, axon guidance receptor 3


level: 4
definition: SRGAP; SLIT-ROBO Rho GTPase activating protein
href: /dbget-bin/www_bget?ko+K07526
anchor: K07526
line:
D      <a href="/dbget-bin/www_bget?ko+K07526">K07526</a>  SRGAP; SLIT-ROBO Rho GTPase activating protein


level: 4
definition: CDK5; cyclin-dependent kinase 5 [EC:2.7.11.22]
href: /dbget-bin/www_bget?ko+K02090
anchor: K02090
line:
D      <a href="/dbget-bin/www_bget?ko+K02090">K02090</a>  CDK5; cyclin-dependent kinase 5 [EC:2.7.11.22]


level: 4
definition: FPS, FES; proto-oncogene tyrosine-protein kinase Fes/Fps [EC:2.7.10.2]
href: /dbget-bin/www_bget?ko+K07527
anchor: K07527
line:
D      <a href="/dbget-bin/www_bget?ko+K07527">K07527</a>  FPS, FES; proto-oncogene tyrosine-protein kinase Fes/Fps [EC:2.7.10.2]


level: 4
definition: DPYSL2, CRMP2; dihydropyrimidinase-like 2
href: /dbget-bin/www_bget?ko+K07528
anchor: K07528
line:
D      <a href="/dbget-bin/www_bget?ko+K07528">K07528</a>  DPYSL2, CRMP2; dihydropyrimidinase-like 2


level: 4
definition: DPYSL5, CRAM; dihydropyrimidinase-like 5
href: /dbget-bin/www_bget?ko+K07529
anchor: K07529
line:
D      <a href="/dbget-bin/www_bget?ko+K07529">K07529</a>  DPYSL5, CRAM; dihydropyrimidinase-like 5


level: 4
definition: ARHGEF12, LARG; Rho guanine nucleotide exchange factor (GEF) 12
href: /dbget-bin/www_bget?ko+K07532
anchor: K07532
line:
D      <a href="/dbget-bin/www_bget?ko+K07532">K07532</a>  ARHGEF12, LARG; Rho guanine nucleotide exchange factor (GEF) 12


level: 4
definition: ARNTL, BMAL1, CYC; aryl hydrocarbon receptor nuclear translocator-like protein 1
href: /dbget-bin/www_bget?ko+K02296
anchor: K02296
line:
D      <a href="/dbget-bin/www_bget?ko+K02296">K02296</a>  ARNTL, BMAL1, CYC; aryl hydrocarbon receptor nuclear translocator-like protein 1


level: 4
definition: CLOCK; circadian locomoter output cycles kaput protein
href: /dbget-bin/www_bget?ko+K02223
anchor: K02223
line:
D      <a href="/dbget-bin/www_bget?ko+K02223">K02223</a>  CLOCK; circadian locomoter output cycles kaput protein


level: 4
definition: NPAS2; neuronal PAS domain-containing protein 2
href: /dbget-bin/www_bget?ko+K09026
anchor: K09026
line:
D      <a href="/dbget-bin/www_bget?ko+K09026">K09026</a>  NPAS2; neuronal PAS domain-containing protein 2


level: 4
definition: NR1D1; nuclear receptor, subfamily 1, group D, member 1
href: /dbget-bin/www_bget?ko+K03728
anchor: K03728
line:
D      <a href="/dbget-bin/www_bget?ko+K03728">K03728</a>  NR1D1; nuclear receptor, subfamily 1, group D, member 1


level: 4
definition: BHLHB2, DEC1; class B basic helix-loop-helix protein 2
href: /dbget-bin/www_bget?ko+K03729
anchor: K03729
line:
D      <a href="/dbget-bin/www_bget?ko+K03729">K03729</a>  BHLHB2, DEC1; class B basic helix-loop-helix protein 2


level: 4
definition: BHLHB3, DEC2; class B basic helix-loop-helix protein 3
href: /dbget-bin/www_bget?ko+K03730
anchor: K03730
line:
D      <a href="/dbget-bin/www_bget?ko+K03730">K03730</a>  BHLHB3, DEC2; class B basic helix-loop-helix protein 3


level: 4
definition: E3.4.23.46, BACE1; beta-site APP-cleaving enzyme 1 (memapsin 2) [EC:3.4.23.46]
href: /dbget-bin/www_bget?ko+K04521
anchor: K04521
line:
D      <a href="/dbget-bin/www_bget?ko+K04521">K04521</a>  E3.4.23.46, BACE1; beta-site APP-cleaving enzyme 1 (memapsin 2) [EC:3.4.23.46]


level: 4
definition: E3.4.23.45, BACE2; beta-site APP-cleaving enzyme 2 (memapsin 1) [EC:3.4.23.45]
href: /dbget-bin/www_bget?ko+K07747
anchor: K07747
line:
D      <a href="/dbget-bin/www_bget?ko+K07747">K07747</a>  E3.4.23.45, BACE2; beta-site APP-cleaving enzyme 2 (memapsin 1) [EC:3.4.23.45]


level: 4
definition: SNCA; synuclein, alpha (non A4 component of amyloid precursor)
href: /dbget-bin/www_bget?ko+K04528
anchor: K04528
line:
D      <a href="/dbget-bin/www_bget?ko+K04528">K04528</a>  SNCA; synuclein, alpha (non A4 component of amyloid precursor)


level: 4
definition: E3.4.24.56, IDE; insulysin [EC:3.4.24.56]
href: /dbget-bin/www_bget?ko+K01408
anchor: K01408
line:
D      <a href="/dbget-bin/www_bget?ko+K01408">K01408</a>  E3.4.24.56, IDE; insulysin [EC:3.4.24.56]


level: 4
definition: APBB1, FE65; amyloid beta (A4) precursor protein-binding, family B, member 1 (Fe65)
href: /dbget-bin/www_bget?ko+K04529
anchor: K04529
line:
D      <a href="/dbget-bin/www_bget?ko+K04529">K04529</a>  APBB1, FE65; amyloid beta (A4) precursor protein-binding, family B, member 1 (Fe65)


level: 4
definition: APPBP1; amyloid beta precursor protein binding protein 1
href: /dbget-bin/www_bget?ko+K04532
anchor: K04532
line:
D      <a href="/dbget-bin/www_bget?ko+K04532">K04532</a>  APPBP1; amyloid beta precursor protein binding protein 1


level: 4
definition: LRP1, CD91; low density lipoprotein-related protein 1 (alpha-2-macroglobulin receptor)
href: /dbget-bin/www_bget?ko+K04550
anchor: K04550
line:
D      <a href="/dbget-bin/www_bget?ko+K04550">K04550</a>  LRP1, CD91; low density lipoprotein-related protein 1 (alpha-2-macroglobulin receptor)


level: 4
definition: UBE2L3, UBCH7; ubiquitin-conjugating enzyme E2L 3 [EC:6.3.2.19]
href: /dbget-bin/www_bget?ko+K04552
anchor: K04552
line:
D      <a href="/dbget-bin/www_bget?ko+K04552">K04552</a>  UBE2L3, UBCH7; ubiquitin-conjugating enzyme E2L 3 [EC:6.3.2.19]


level: 4
definition: UBE2L6, UBCH8; ubiquitin-conjugating enzyme E2L 6 [EC:6.3.2.19]
href: /dbget-bin/www_bget?ko+K04553
anchor: K04553
line:
D      <a href="/dbget-bin/www_bget?ko+K04553">K04553</a>  UBE2L6, UBCH8; ubiquitin-conjugating enzyme E2L 6 [EC:6.3.2.19]


level: 4
definition: UBE2J2, UBC6; ubiquitin-conjugating enzyme E2, J2 [EC:6.3.2.19]
href: /dbget-bin/www_bget?ko+K04554
anchor: K04554
line:
D      <a href="/dbget-bin/www_bget?ko+K04554">K04554</a>  UBE2J2, UBC6; ubiquitin-conjugating enzyme E2, J2 [EC:6.3.2.19]


level: 4
definition: UBE2G2, UBC7; ubiquitin-conjugating enzyme E2G 2 [EC:6.3.2.19]
href: /dbget-bin/www_bget?ko+K04555
anchor: K04555
line:
D      <a href="/dbget-bin/www_bget?ko+K04555">K04555</a>  UBE2G2, UBC7; ubiquitin-conjugating enzyme E2G 2 [EC:6.3.2.19]


level: 4
definition: PNUTL1, CDCREL1; peanut-like protein 1 (cell division control related protein 1)
href: /dbget-bin/www_bget?ko+K04557
anchor: K04557
line:
D      <a href="/dbget-bin/www_bget?ko+K04557">K04557</a>  PNUTL1, CDCREL1; peanut-like protein 1 (cell division control related protein 1)


level: 4
definition: SNCAIP; synuclein, alpha interacting protein (synphilin)
href: /dbget-bin/www_bget?ko+K04558
anchor: K04558
line:
D      <a href="/dbget-bin/www_bget?ko+K04558">K04558</a>  SNCAIP; synuclein, alpha interacting protein (synphilin)


level: 4
definition: GPR37; G protein-coupled receptor 37 (endothelin receptor type B-like)
href: /dbget-bin/www_bget?ko+K04243
anchor: K04243
line:
D      <a href="/dbget-bin/www_bget?ko+K04243">K04243</a>  GPR37; G protein-coupled receptor 37 (endothelin receptor type B-like)


level: 4
definition: UCHL1; ubiquitin carboxyl-terminal hydrolase L1 [EC:3.4.19.12]
href: /dbget-bin/www_bget?ko+K05611
anchor: K05611
line:
D      <a href="/dbget-bin/www_bget?ko+K05611">K05611</a>  UCHL1; ubiquitin carboxyl-terminal hydrolase L1 [EC:3.4.19.12]


level: 4
definition: PINK1; PTEN induced putative kinase 1 [EC:2.7.11.1]
href: /dbget-bin/www_bget?ko+K05688
anchor: K05688
line:
D      <a href="/dbget-bin/www_bget?ko+K05688">K05688</a>  PINK1; PTEN induced putative kinase 1 [EC:2.7.11.1]


level: 4
definition: E1.15.1.1C, sodC, SOD1; Cu/Zn superoxide dismutase [EC:1.15.1.1]
href: /dbget-bin/www_bget?ko+K04565
anchor: K04565
line:
D      <a href="/dbget-bin/www_bget?ko+K04565">K04565</a>  E1.15.1.1C, sodC, SOD1; Cu/Zn superoxide dismutase [EC:1.15.1.1]


level: 4
definition: CCS; copper chaperone for superoxide dismutase
href: /dbget-bin/www_bget?ko+K04569
anchor: K04569
line:
D      <a href="/dbget-bin/www_bget?ko+K04569">K04569</a>  CCS; copper chaperone for superoxide dismutase


level: 4
definition: SSR4; signal sequence receptor, delta (translocon-associated protein delta)
href: /dbget-bin/www_bget?ko+K04571
anchor: K04571
line:
D      <a href="/dbget-bin/www_bget?ko+K04571">K04571</a>  SSR4; signal sequence receptor, delta (translocon-associated protein delta)


level: 4
definition: NEFL, NF-L; neurofilament light polypeptide
href: /dbget-bin/www_bget?ko+K04572
anchor: K04572
line:
D      <a href="/dbget-bin/www_bget?ko+K04572">K04572</a>  NEFL, NF-L; neurofilament light polypeptide


level: 4
definition: NEF3, NF-M; neurofilament medium polypeptide (neurofilament 3)
href: /dbget-bin/www_bget?ko+K04573
anchor: K04573
line:
D      <a href="/dbget-bin/www_bget?ko+K04573">K04573</a>  NEF3, NF-M; neurofilament medium polypeptide (neurofilament 3)


level: 4
definition: NEFH, NF-H; neurofilament heavy polypeptide
href: /dbget-bin/www_bget?ko+K04574
anchor: K04574
line:
D      <a href="/dbget-bin/www_bget?ko+K04574">K04574</a>  NEFH, NF-H; neurofilament heavy polypeptide


level: 4
definition: ALS2; amyotrophic lateral sclerosis 2 (juvenile)
href: /dbget-bin/www_bget?ko+K04575
anchor: K04575
line:
D      <a href="/dbget-bin/www_bget?ko+K04575">K04575</a>  ALS2; amyotrophic lateral sclerosis 2 (juvenile)


level: 4
definition: ESRRBL1, HIPPI; estrogen-related receptor beta like 1
href: /dbget-bin/www_bget?ko+K04638
anchor: K04638
line:
D      <a href="/dbget-bin/www_bget?ko+K04638">K04638</a>  ESRRBL1, HIPPI; estrogen-related receptor beta like 1


level: 4
definition: CLTA, LCA; clathrin, light polypeptide A
href: /dbget-bin/www_bget?ko+K04644
anchor: K04644
line:
D      <a href="/dbget-bin/www_bget?ko+K04644">K04644</a>  CLTA, LCA; clathrin, light polypeptide A


level: 4
definition: CLTB, LCB; clathrin, light polypeptide B
href: /dbget-bin/www_bget?ko+K04645
anchor: K04645
line:
D      <a href="/dbget-bin/www_bget?ko+K04645">K04645</a>  CLTB, LCB; clathrin, light polypeptide B


level: 4
href: /dbget-bin/www_bget?ko+K08051
anchor: K08051
definition:
PLEKHA8; pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 8

line:
D      <a href="/dbget-bin/www_bget?ko+K08051">K08051</a>  PLEKHA8; pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 8


level: 4
href: /dbget-bin/www_bget?ko+K01370
anchor: K01370
definition:
CASP1; caspase 1, apoptosis-related cysteine protease (interleukin 1, beta, convertase) [EC:3.4.22.36]

line:
D      <a href="/dbget-bin/www_bget?ko+K01370">K01370</a>  CASP1; caspase 1, apoptosis-related cysteine protease (interleukin 1, beta, convertase) [EC:3.4.22.36]


level: 4
definition: HIP2, UBC1; ubiquitin-conjugating enzyme (huntingtin interacting protein 2) [EC:6.3.2.19]
href: /dbget-bin/www_bget?ko+K04649
anchor: K04649
line:
D      <a href="/dbget-bin/www_bget?ko+K04649">K04649</a>  HIP2, UBC1; ubiquitin-conjugating enzyme (huntingtin interacting protein 2) [EC:6.3.2.19]


level: 4
definition: NCOR1, N-CoR; nuclear receptor co-repressor 1
href: /dbget-bin/www_bget?ko+K04650
anchor: K04650
line:
D      <a href="/dbget-bin/www_bget?ko+K04650">K04650</a>  NCOR1, N-CoR; nuclear receptor co-repressor 1


level: 4
definition: DRPLA; atrophin-1 (dentatorubral-pallidoluysian atrophy protein)
href: /dbget-bin/www_bget?ko+K05626
anchor: K05626
line:
D      <a href="/dbget-bin/www_bget?ko+K05626">K05626</a>  DRPLA; atrophin-1 (dentatorubral-pallidoluysian atrophy protein)


level: 4
definition: RERE; arginine-glutamic acid dipeptide (RE) repeats
href: /dbget-bin/www_bget?ko+K05628
anchor: K05628
line:
D      <a href="/dbget-bin/www_bget?ko+K05628">K05628</a>  RERE; arginine-glutamic acid dipeptide (RE) repeats


level: 4
definition: NFE2L2, NRF2; nuclear factor erythroid 2-related factor 2
href: /dbget-bin/www_bget?ko+K05638
anchor: K05638
line:
D      <a href="/dbget-bin/www_bget?ko+K05638">K05638</a>  NFE2L2, NRF2; nuclear factor erythroid 2-related factor 2


level: 4
definition: APLP1; amyloid beta (A4) precursor-like protein 1
href: /dbget-bin/www_bget?ko+K05639
anchor: K05639
line:
D      <a href="/dbget-bin/www_bget?ko+K05639">K05639</a>  APLP1; amyloid beta (A4) precursor-like protein 1


level: 4
definition: JAM4, JCAM; junction adhesion molecule 4
href: /dbget-bin/www_bget?ko+K06786
anchor: K06786
line:
D      <a href="/dbget-bin/www_bget?ko+K06786">K06786</a>  JAM4, JCAM; junction adhesion molecule 4


level: 4
definition: ADAM10; a disintegrin and metalloproteinase domain 10 [EC:3.4.24.81]
href: /dbget-bin/www_bget?ko+K06704
anchor: K06704
line:
D      <a href="/dbget-bin/www_bget?ko+K06704">K06704</a>  ADAM10; a disintegrin and metalloproteinase domain 10 [EC:3.4.24.81]


level: 4
definition: CARD4, NOD1; caspase recruitment domain family, member 4
href: /dbget-bin/www_bget?ko+K08727
anchor: K08727
line:
D      <a href="/dbget-bin/www_bget?ko+K08727">K08727</a>  CARD4, NOD1; caspase recruitment domain family, member 4


level: 4
definition: PTPRZ; protein tyrosine phosphatase, receptor-type, Z polypeptide [EC:3.1.3.48]
href: /dbget-bin/www_bget?ko+K08114
anchor: K08114
line:
D      <a href="/dbget-bin/www_bget?ko+K08114">K08114</a>  PTPRZ; protein tyrosine phosphatase, receptor-type, Z polypeptide [EC:3.1.3.48]


level: 4
definition: PTPRN; protein tyrosine phosphatase, receptor type, N [EC:3.1.3.48]
href: /dbget-bin/www_bget?ko+K07817
anchor: K07817
line:
D      <a href="/dbget-bin/www_bget?ko+K07817">K07817</a>  PTPRN; protein tyrosine phosphatase, receptor type, N [EC:3.1.3.48]


level: 4
definition: E3.4.17.10, CPE; carboxypeptidase E [EC:3.4.17.10]
href: /dbget-bin/www_bget?ko+K01294
anchor: K01294
line:
D      <a href="/dbget-bin/www_bget?ko+K01294">K01294</a>  E3.4.17.10, CPE; carboxypeptidase E [EC:3.4.17.10]


level: 4
href: /dbget-bin/www_bget?ko+K07593
anchor: K07593
definition:
SLC2A2, GLUT2; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 2

line:
D      <a href="/dbget-bin/www_bget?ko+K07593">K07593</a>  SLC2A2, GLUT2; MFS transporter, SP family, solute carrier family 2 (facilitated glucose transporter), member 2


level: 4
definition: KCNJ11; potassium inwardly-rectifying channel, subfamily J, member 11
href: /dbget-bin/www_bget?ko+K05004
anchor: K05004
line:
D      <a href="/dbget-bin/www_bget?ko+K05004">K05004</a>  KCNJ11; potassium inwardly-rectifying channel, subfamily J, member 11


level: 4
definition: ONECUT1, HNF6; one cut domain, family member 1, hepatocyte nuclear factor 6
href: /dbget-bin/www_bget?ko+K08026
anchor: K08026
line:
D      <a href="/dbget-bin/www_bget?ko+K08026">K08026</a>  ONECUT1, HNF6; one cut domain, family member 1, hepatocyte nuclear factor 6


level: 4
definition: NR5A2, FTF; nuclear receptor, subfamily 5, group A, member 2
href: /dbget-bin/www_bget?ko+K08027
anchor: K08027
line:
D      <a href="/dbget-bin/www_bget?ko+K08027">K08027</a>  NR5A2, FTF; nuclear receptor, subfamily 5, group A, member 2


level: 4
definition: NEUROD1; neurogenic differentiation factor 1
href: /dbget-bin/www_bget?ko+K08033
anchor: K08033
line:
D      <a href="/dbget-bin/www_bget?ko+K08033">K08033</a>  NEUROD1; neurogenic differentiation factor 1


level: 4
definition: TCF2, HNF1B; transcription factor 2, hepatocyte nuclear factor 1-beta
href: /dbget-bin/www_bget?ko+K08034
anchor: K08034
line:
D      <a href="/dbget-bin/www_bget?ko+K08034">K08034</a>  TCF2, HNF1B; transcription factor 2, hepatocyte nuclear factor 1-beta


level: 4
definition: FOXA2, HNF3B; forkhead box protein A2, hepatocyte nuclear factor 3-beta
href: /dbget-bin/www_bget?ko+K08035
anchor: K08035
line:
D      <a href="/dbget-bin/www_bget?ko+K08035">K08035</a>  FOXA2, HNF3B; forkhead box protein A2, hepatocyte nuclear factor 3-beta


level: 4
definition: NR2A1, HNF4A; nuclear receptor, subfamily 2, group A, member 1
href: /dbget-bin/www_bget?ko+K07292
anchor: K07292
line:
D      <a href="/dbget-bin/www_bget?ko+K07292">K07292</a>  NR2A1, HNF4A; nuclear receptor, subfamily 2, group A, member 1


level: 4
definition: TCF1, HNF1A; transcription factor 1, hepatocyte nuclear factor 1-alpha
href: /dbget-bin/www_bget?ko+K08036
anchor: K08036
line:
D      <a href="/dbget-bin/www_bget?ko+K08036">K08036</a>  TCF1, HNF1A; transcription factor 1, hepatocyte nuclear factor 1-alpha


level: 4
definition: NR2A2, HNF4G; nuclear receptor, subfamily 2, group A, member 2
href: /dbget-bin/www_bget?ko+K08037
anchor: K08037
line:
D      <a href="/dbget-bin/www_bget?ko+K08037">K08037</a>  NR2A2, HNF4G; nuclear receptor, subfamily 2, group A, member 2


level: 4
definition: FOXA3, HNF3G; forkhead box protein A3, hepatocyte nuclear factor 3-gamma
href: /dbget-bin/www_bget?ko+K08038
anchor: K08038
line:
D      <a href="/dbget-bin/www_bget?ko+K08038">K08038</a>  FOXA3, HNF3G; forkhead box protein A3, hepatocyte nuclear factor 3-gamma


level: 4
definition: BHLHB8, MIST1; class B basic helix-loop-helix protein 8
href: /dbget-bin/www_bget?ko+K08040
anchor: K08040
line:
D      <a href="/dbget-bin/www_bget?ko+K08040">K08040</a>  BHLHB8, MIST1; class B basic helix-loop-helix protein 8


level: 4
definition: BIRC5; baculoviral IAP repeat-containing 5
href: /dbget-bin/www_bget?ko+K08731
anchor: K08731
line:
D      <a href="/dbget-bin/www_bget?ko+K08731">K08731</a>  BIRC5; baculoviral IAP repeat-containing 5


level: 4
definition: RALGDS; ral guanine nucleotide dissociation stimulator
href: /dbget-bin/www_bget?ko+K08732
anchor: K08732
line:
D      <a href="/dbget-bin/www_bget?ko+K08732">K08732</a>  RALGDS; ral guanine nucleotide dissociation stimulator


level: 4
definition: APPL, DIP13A; DCC-interacting protein 13 alpha
href: /dbget-bin/www_bget?ko+K08733
anchor: K08733
line:
D      <a href="/dbget-bin/www_bget?ko+K08733">K08733</a>  APPL, DIP13A; DCC-interacting protein 13 alpha


level: 4
definition: BRCA2, FANCD1; breast cancer 2, early onset
href: /dbget-bin/www_bget?ko+K08775
anchor: K08775
line:
D      <a href="/dbget-bin/www_bget?ko+K08775">K08775</a>  BRCA2, FANCD1; breast cancer 2, early onset


level: 4
definition: RET; proto-oncogene tyrosine-protein kinase Ret [EC:2.7.10.1]
href: /dbget-bin/www_bget?ko+K05126
anchor: K05126
line:
D      <a href="/dbget-bin/www_bget?ko+K05126">K05126</a>  RET; proto-oncogene tyrosine-protein kinase Ret [EC:2.7.10.1]


level: 4
definition: CCDC6, PTC; coiled-coil domain-containing protein 6
href: /dbget-bin/www_bget?ko+K09288
anchor: K09288
line:
D      <a href="/dbget-bin/www_bget?ko+K09288">K09288</a>  CCDC6, PTC; coiled-coil domain-containing protein 6


level: 4
definition: NCOA4, PTC3; nuclear receptor coactivator 4
href: /dbget-bin/www_bget?ko+K09289
anchor: K09289
line:
D      <a href="/dbget-bin/www_bget?ko+K09289">K09289</a>  NCOA4, PTC3; nuclear receptor coactivator 4


level: 4
definition: BCR1, BCR; breakpoint cluster region protein [EC:2.7.11.1]
href: /dbget-bin/www_bget?ko+K08878
anchor: K08878
line:
D      <a href="/dbget-bin/www_bget?ko+K08878">K08878</a>  BCR1, BCR; breakpoint cluster region protein [EC:2.7.11.1]


level: 4
definition: RUNX1, AML1; runt-related transcription factor 1
href: /dbget-bin/www_bget?ko+K08367
anchor: K08367
line:
D      <a href="/dbget-bin/www_bget?ko+K08367">K08367</a>  RUNX1, AML1; runt-related transcription factor 1


level: 4
definition: HIF2A, EPAS1; hypoxia-inducible factor 2 alpha
href: /dbget-bin/www_bget?ko+K09095
anchor: K09095
line:
D      <a href="/dbget-bin/www_bget?ko+K09095">K09095</a>  HIF2A, EPAS1; hypoxia-inducible factor 2 alpha


level: 4
definition: EGLN, HPH; hypoxia-inducible factor prolyl hydroxylase [EC:1.14.11.-]
href: /dbget-bin/www_bget?ko+K09592
anchor: K09592
line:
D      <a href="/dbget-bin/www_bget?ko+K09592">K09592</a>  EGLN, HPH; hypoxia-inducible factor prolyl hydroxylase [EC:1.14.11.-]


level: 4
definition: HIF1B, ARNT; hypoxia-inducible factor 1 beta
href: /dbget-bin/www_bget?ko+K09097
anchor: K09097
line:
D      <a href="/dbget-bin/www_bget?ko+K09097">K09097</a>  HIF1B, ARNT; hypoxia-inducible factor 1 beta


# compounds

entry: C00002
name: --- - ATP - Adenosine 5'-triphosphate
formula: C10H16N5O13P3
kcf:
ATOM        31
            1   N4y N    29.4250  -14.6015
            2   C8y C    30.4825  -15.3378
            3   C1y C    28.1393  -15.0165
            4   C8x C    29.9040  -13.2050
            5   C8y C    31.7155  -14.4321
            6   N5x N    30.6227  -16.7578
            7   O2x O    26.9999  -14.1633
            8   C1y C    27.7071  -16.2669
            9   N5x N    31.3532  -13.2108
            10  C8y C    32.9718  -14.9814
            11  C8x C    31.9434  -17.3478
            12  C1y C    25.8897  -14.9580
            13  C1y C    26.3221  -16.2669
            14  O1a O    28.5133  -17.4063
            15  N5x N    33.1353  -16.4655
            16  N1a N    34.0819  -14.1575
            17  C1b C    24.5691  -14.5315
            18  O1a O    25.8780  -17.5874
            19  O2b O    23.5349  -15.4664
            20  P1b P    22.1325  -15.4664
            21  O2c O    20.7361  -15.4664
            22  O1c O    22.1268  -16.8629
            23  O3b O    22.1268  -14.0698
            24  P1b P    19.3394  -15.4605
            25  O2c O    17.9430  -15.4605
            26  O1c O    19.3337  -16.8571
            27  O3b O    19.3337  -14.0581
            28  P1b P    16.5406  -15.4547
            29  O1c O    16.5348  -16.8512
            30  O1c O    15.1441  -15.4430
            31  O3b O    16.5348  -14.0523
BOND        33
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    5   9 1
            32   11  15 1
            33   12  13 1


entry: C00003
formula: C21H28N7O14P2
name:
--- 
- NAD+
- NAD
- Nicotinamide adenine dinucleotide
- DPN
- Diphosphopyridine nucleotide
- Nadide

kcf:
ATOM        44
            1   N4y N    32.0693  -15.8066
            2   C8y C    30.7972  -15.4071
            3   C1y C    30.4026  -17.9734
            4   C8x C    32.9072  -14.7189
            5   C8y C    30.7849  -14.0738
            6   N5x N    29.6296  -16.0893
            7   O2x O    29.2967  -17.1747
            8   C1y C    29.9972  -19.2270
            9   N5x N    32.0509  -13.6559
            10  C8y C    29.6173  -13.3977
            11  C8x C    28.4560  -15.4380
            12  C1y C    28.2152  -17.9488
            13  C1y C    28.6391  -19.2270
            14  O1a O    30.7898  -20.3086
            15  N5x N    28.4499  -14.0799
            16  N1a N    29.6113  -12.0644
            17  C1b C    26.9554  -17.5557
            18  O1a O    27.8711  -20.3086
            19  O2b O    25.8799  -17.5065
            20  P1b P    24.4360  -17.5002
            21  O2c O    22.6293  -17.5065
            22  O1c O    24.4360  -19.0612
            23  O3b O    24.4360  -16.0071
            24  P1b P    20.9578  -17.5002
            25  O2b O    19.5199  -17.5125
            26  O1c O    20.9641  -18.9936
            27  O3b O    20.9578  -16.0009
            28  C1b C    18.1251  -17.4943
            29  C1y C    16.8777  -17.9305
            30  O2x O    15.7653  -17.1931
            31  C1y C    16.5273  -19.2946
            32  C1y C    14.6901  -18.0288
            33  C1y C    15.1448  -19.3254
            34  O1a O    17.3202  -20.3478
            35  N5y N    13.3688  -16.7382 #+
            36  O1a O    14.3889  -20.4462
            37  C8x C    14.3951  -15.9825
            38  C8x C    12.0908  -16.0378
            39  C8y C    14.4012  -14.6367
            40  C8x C    12.0722  -14.7780
            41  C8x C    13.2030  -14.0407
            42  C5a C    15.5136  -13.8994
            43  N1a N    15.5136  -12.7133
            44  O5a O    16.7118  -14.5016
BOND        48
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   29  28 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   35  37 1
            37   35  38 2
            38   37  39 2
            39   38  40 1
            40   39  41 1
            41   39  42 1
            42   42  43 1
            43   42  44 2
            44    5   9 1
            45   11  15 1
            46   12  13 1
            47   32  33 1
            48   40  41 2


entry: C00004
name: --- - NADH - DPNH
formula: C21H29N7O14P2
kcf:
ATOM        44
            1   N4y N    31.4354  -15.6994
            2   C8y C    30.1607  -15.2991
            3   C1y C    30.7466  -17.9407
            4   C8x C    32.2050  -14.6094
            5   C8y C    30.1484  -13.9630
            6   N5x N    28.9907  -15.9827
            7   O2x O    29.6384  -17.1404
            8   C1y C    30.3403  -19.1970
            9   N5x N    31.4170  -13.5442
            10  C8y C    28.9783  -13.2855
            11  C8x C    27.8146  -15.3300
            12  C1y C    28.5546  -17.9161
            13  C1y C    28.9794  -19.1970
            14  O1a O    31.1346  -20.2808
            15  N5x N    27.8085  -13.9691
            16  N1a N    28.9723  -11.9494
            17  C1b C    27.2922  -17.5222
            18  O1a O    28.2098  -20.2808
            19  O2b O    26.2145  -17.4729
            20  P1b P    24.7675  -17.4666
            21  O2c O    22.9571  -17.4729
            22  O1c O    24.7675  -19.0308
            23  O3b O    24.7675  -15.9703
            24  P1b P    21.2821  -17.4666
            25  O2b O    19.8412  -17.4789
            26  O1c O    21.2884  -18.9631
            27  O3b O    21.2821  -15.9641
            28  C1b C    18.5135  -17.5306
            29  C1y C    17.2635  -17.9677
            30  O2x O    16.1488  -17.2288
            31  C1y C    16.9124  -19.3347
            32  C1y C    15.0713  -18.0663
            33  C1y C    15.5270  -19.3656
            34  O1a O    17.7069  -20.3899
            35  N1y N    13.7473  -16.7730
            36  O1a O    14.7695  -20.4185
            37  C2x C    14.7757  -16.0157
            38  C2x C    12.4666  -16.0711
            39  C2y C    14.7818  -14.6671
            40  C2x C    12.4480  -14.8087
            41  C1x C    13.5811  -14.0698
            42  C5a C    15.8965  -13.9282
            43  N1a N    15.8965  -12.7397
            44  O5a O    17.0972  -14.5317
BOND        48
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   29  28 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   35  37 1
            37   35  38 1
            38   37  39 2
            39   38  40 2
            40   39  41 1
            41   39  42 1
            42   42  43 1
            43   42  44 2
            44    5   9 1
            45   11  15 1
            46   12  13 1
            47   32  33 1
            48   40  41 1


entry: C00005
name: --- - NADPH - TPNH
formula: C21H30N7O17P3
kcf:
ATOM        48
            1   C1y C     4.1207   -0.4448
            2   N4y N     4.3138    0.8103
            3   C1y C     3.8966   -1.1448
            4   O2x O     3.5034    0.0034
            5   C8y C     3.5966    1.0345
            6   C8x C     4.7448    1.4207
            7   C1y C     3.1345   -1.1448
            8   O2b O     4.3379   -1.7517
            9   C1y C     2.8966   -0.4310
            10  C8y C     3.5931    1.7862
            11  N5x N     2.9448    0.6517
            12  N5x N     4.3035    2.0172
            13  O1a O     2.7034   -1.7552
            14  P1b P     4.3345   -2.7793
            15  C1b C     2.1897   -0.2103
            16  C8y C     2.9345    2.1621
            17  C8x C     2.2828    1.0172
            18  O1c O     4.3414   -3.6793
            19  O1c O     5.1069   -2.7828
            20  O3b O     3.5862   -2.7793
            21  O2b O     1.5828   -0.1828
            22  N5x N     2.2828    1.7793
            23  N1a N     2.9310    2.9138
            24  P1b P     0.7724   -0.1793
            25  O2c O    -0.2379   -0.1793
            26  O1c O     0.7724   -1.0552
            27  O3b O     0.7759    0.6621
            28  P1b P    -1.1759   -0.1793
            29  O2b O    -1.9862   -0.1828
            30  O1c O    -1.1724   -1.0172
            31  O3b O    -1.1759    0.6621
            32  C1b C    -2.7655   -0.1759
            33  C1y C    -3.4690   -0.4207
            34  O2x O    -4.0897   -0.0069
            35  C1y C    -3.6621   -1.1862
            36  C1y C    -4.6931   -0.4759
            37  C1y C    -4.4414   -1.2000
            38  O1a O    -3.2207   -1.7379
            39  N1y N    -5.4379    0.2483
            40  O1a O    -4.8621   -1.7897
            41  C2x C    -4.8621    0.6724
            42  C2x C    -6.1552    0.6414
            43  C2y C    -4.8586    1.4276
            44  C2x C    -6.1621    1.3483
            45  C1x C    -5.5276    1.7655
            46  C5a C    -4.2310    1.8414
            47  N1a N    -4.2345    2.5069
            48  O5a O    -3.5621    1.5035
BOND        52
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1 #Down
            13    8  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 2
            17   14  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 2
            22   16  23 1
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   33  32 1 #Down
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Up
            38   36  39 1 #Down
            39   37  40 1 #Up
            40   39  41 1
            41   39  42 1
            42   41  43 2
            43   42  44 2
            44   43  45 1
            45   43  46 1
            46   46  47 1
            47   46  48 2
            48    7   9 1
            49   10  12 1
            50   17  22 1
            51   36  37 1
            52   44  45 1


entry: C00006
formula: C21H29N7O17P3
name:
--- 
- NADP+
- NADP
- Nicotinamide adenine dinucleotide phosphate
- beta-Nicotinamide adenine dinucleotide phosphate
- TPN
- Triphosphopyridine nucleotide

kcf:
ATOM        48
            1   C1y C     4.2586   -0.3690
            2   N4y N     4.4552    0.9310
            3   C1y C     4.0241   -1.0931
            4   O2x O     3.6138    0.0966
            5   C8y C     3.7138    1.1655
            6   C8x C     4.9034    1.5621
            7   C1y C     3.2345   -1.0931
            8   O2b O     4.4828   -1.7207
            9   C1y C     2.9862   -0.3552
            10  C8y C     3.7103    1.9448
            11  N5x N     3.0345    0.7690
            12  N5x N     4.4448    2.1828
            13  O1a O     2.7862   -1.7310
            14  P1b P     4.4793   -2.7931
            15  C1b C     2.2552   -0.1276
            16  C8y C     3.0241    2.3345
            17  C8x C     2.3517    1.1483
            18  O1c O     4.4862   -3.7207
            19  O1c O     5.2759   -2.7966
            20  O3b O     3.7034   -2.7931
            21  O2b O     1.6241   -0.1000
            22  N5x N     2.3517    1.9379
            23  N1a N     3.0207    3.1138
            24  P1b P     0.7828   -0.0966
            25  O2c O    -0.2621   -0.0966
            26  O1c O     0.7828   -1.0000
            27  O3b O     0.7862    0.7793
            28  P1b P    -1.2345   -0.0966
            29  O2b O    -2.0759   -0.1000
            30  O1c O    -1.2310   -0.9621
            31  O3b O    -1.2345    0.7793
            32  C1b C    -2.8828   -0.0931
            33  C1y C    -3.6103   -0.3448
            34  O2x O    -4.2586    0.0862
            35  C1y C    -3.8138   -1.1414
            36  C1y C    -4.8828   -0.4000
            37  C1y C    -4.6207   -1.1552
            38  O1a O    -3.3552   -1.7069
            39  N5y N    -5.6724   -0.1655 #+
            40  O1a O    -5.0552   -1.7655
            41  C8x C    -4.9586    0.2483
            42  C8x C    -6.3897    0.2483
            43  C8y C    -4.9586    1.0724
            44  C8x C    -6.3897    1.0724
            45  C8x C    -5.6724    1.4828
            46  C5a C    -4.2448    1.4828
            47  N1a N    -3.5310    1.0690
            48  O5a O    -4.2448    2.3103
BOND        52
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1 #Down
            13    8  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 2
            17   14  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 2
            22   16  23 1
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   33  32 1 #Down
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Up
            38   36  39 1 #Down
            39   37  40 1 #Up
            40   39  41 1
            41   39  42 2
            42   41  43 2
            43   42  44 1
            44   43  45 1
            45   43  46 1
            46   46  47 1
            47   46  48 2
            48    7   9 1
            49   10  12 1
            50   17  22 1
            51   36  37 1
            52   44  45 2


entry: C00007
name: --- - Oxygen - O2
formula: O2
kcf:
ATOM        2
            1   O0  O    24.3446  -17.0048
            2   O0  O    25.7446  -17.0048
BOND        1
            1     1   2 2


entry: C00008
name: --- - ADP - Adenosine 5'-diphosphate
formula: C10H15N5O10P2
kcf:
ATOM        27
            1   N4y N     1.7138    0.4759
            2   C8y C     2.3448    0.0379
            3   C1y C     0.9517    0.2276
            4   C8x C     1.9966    1.3035
            5   C8y C     3.0759    0.5759
            6   N5x N     2.4241   -0.8069
            7   O2x O     0.2759    0.7310
            8   C1y C     0.6931   -0.5172
            9   N5x N     2.8552    1.3000
            10  C8y C     3.8207    0.2448
            11  C8x C     3.2103   -1.1552
            12  C1y C    -0.3793    0.2621
            13  C1y C    -0.1241   -0.5172
            14  O1a O     1.1724   -1.1897
            15  N5x N     3.9138   -0.6345
            16  N1a N     4.4759    0.7345
            17  C1b C    -1.1621    0.5172
            18  O1a O    -0.3897   -1.2966
            19  O2b O    -1.7759   -0.0345
            20  P1b P    -2.6034   -0.0345
            21  O2c O    -3.4276   -0.0345
            22  O1c O    -2.6069   -0.8586
            23  O3b O    -2.6069    0.7897
            24  P1b P    -4.2517   -0.0310
            25  O1c O    -4.2552   -0.8552
            26  O1c O    -5.0759   -0.0310
            27  O3b O    -4.2552    0.7966
BOND        29
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27    5   9 1
            28   11  15 1
            29   12  13 1


entry: C00009
name: --- - Orthophosphate - Phosphate - Phosphoric acid - Orthophosphoric acid
formula: H3PO4
kcf:
ATOM        5
            1   P1b P    22.1201  -16.2521
            2   O1c O    20.9025  -16.9452
            3   O1c O    23.5418  -16.8752
            4   O1c O    22.4812  -17.8836
            5   O3b O    22.1201  -14.8480
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2


entry: C00010
name: --- - CoA - Coenzyme A - CoA-SH
formula: C21H36N7O16P3S
kcf:
ATOM        48
            1   N4y N    26.6636  -23.0637
            2   C1y C    26.1362  -25.2783
            3   C8y C    24.4373  -23.0637
            4   C8x C    26.6694  -21.7808
            5   O2x O    25.0819  -24.5166
            6   C1y C    25.7497  -26.4792
            7   C8y C    24.4373  -21.7808
            8   N5x N    23.3184  -23.7198
            9   N5x N    25.5564  -21.1305
            10  C1y C    24.0448  -25.2606
            11  C1y C    24.4490  -26.4792
            12  O1a O    26.4295  -27.3644
            13  C8y C    23.3184  -21.1422
            14  C8x C    22.2169  -23.0637
            15  C1b C    22.8556  -24.8856
            16  O2b O    23.7988  -27.3931
            17  N5x N    22.2169  -21.7808
            18  N1a N    23.3184  -19.9351
            19  O2b O    21.1797  -25.7818
            20  P1b P    22.4454  -27.3814
            21  P1b P    19.0770  -25.7351
            22  O1c O    22.4692  -26.0987
            23  O1c O    21.2677  -27.3408
            24  O3b O    22.5037  -28.6644
            25  O2c O    19.0770  -28.5001
            26  O1c O    19.0887  -24.3763
            27  O3b O    17.8697  -25.7818
            28  P1b P    19.0827  -31.1712
            29  O2b O    20.4127  -31.1420
            30  O1c O    19.1352  -32.6768
            31  O3b O    17.8056  -31.1478
            32  C1b C    21.5081  -30.5091
            33  C1d C    22.6153  -31.1420
            34  C1c C    23.7168  -30.5091
            35  C1a C    22.5978  -32.2784
            36  C1a C    22.5861  -29.8996
            37  C5a C    24.8240  -31.1420
            38  O1a O    23.7168  -29.4420
            39  N1b N    25.9254  -30.5091
            40  O5a O    24.8240  -32.3491
            41  C1b C    27.0268  -31.1420
            42  C1b C    28.1340  -30.5091
            43  C5a C    29.2354  -31.1420
            44  N1b N    30.3369  -30.5091
            45  O5a O    29.2354  -32.4191
            46  C1b C    31.4441  -31.1420
            47  C1b C    32.5455  -30.5034
            48  S1a S    33.6467  -31.1420
BOND        50
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48    7   9 1
            49   10  11 1
            50   14  17 1


entry: C00011
name: --- - CO2 - Carbon dioxide
formula: CO2
kcf:
ATOM        3
            1   C0  C    21.8400  -11.9918
            2   O0  O    20.6288  -12.6940
            3   O0  O    23.0512  -12.6940
BOND        2
            1     1   2 2
            2     1   3 2


entry: C00012
name: --- - Peptide
formula: C2H4NO2R(C2H2NOR)n
kcf:
ATOM        11
            1   C5a C    -0.7138   -0.2034
            2   C1c C    -1.4897    0.2103
            3   N1b N     0.0034    0.2103
            4   O5a O    -0.7138   -1.0276
            5   N1a N    -2.2034   -0.2034
            6   R   R    -1.4897    1.0345
            7   C1c C     0.7172   -0.2034
            8   C6a C     1.5345    0.2103
            9   R   R     0.7172   -1.0276
            10  O6a O     2.2483   -0.2034
            11  O6a O     1.5345    1.0345
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2


entry: C00013
name: --- - Pyrophosphate - Pyrophosphoric acid - Diphosphate - PPi
formula: P2H4O7
kcf:
ATOM        9
            1   P1b P    20.8276  -16.2868
            2   O2c O    22.1198  -16.2985
            3   O1c O    19.6172  -16.2985
            4   O1c O    20.8859  -17.6960
            5   O3b O    20.8625  -14.6847
            6   P1b P    23.4941  -16.3043
            7   O1c O    23.5409  -17.7017
            8   O1c O    24.7806  -16.2868
            9   O3b O    23.5115  -14.6787
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 1
            8     6   9 2


entry: C00015
name: --- - UDP - Uridine 5'-diphosphate
formula: C9H14N2O12P2
kcf:
ATOM        25
            1   C1y C     1.2759    0.1552
            2   N4y N     2.0690    0.4138
            3   O2x O     0.6310    0.6276
            4   C1y C     1.0345   -0.6552
            5   C8y C     2.6897   -0.1379
            6   C8x C     2.2414    1.2241
            7   C1y C    -0.0414    0.1345
            8   C1y C     0.2034   -0.6552
            9   O1a O     1.5207   -1.3207
            10  N4x N     3.4793    0.1241
            11  O5x O     2.5241   -0.9448
            12  C8x C     3.0207    1.4897
            13  C1b C    -0.8310    0.3897
            14  O1a O    -0.2862   -1.3172
            15  C8y C     3.6483    0.9345
            16  O2b O    -1.4172   -0.1862
            17  O5x O     4.4345    1.1931
            18  P1b P    -2.2414   -0.1862
            19  O2c O    -3.0655   -0.1862
            20  O1c O    -2.2448   -1.0103
            21  O3b O    -2.2448    0.6379
            22  P1b P    -3.8897   -0.1828
            23  O1c O    -3.8966   -1.0069
            24  O1c O    -4.7172   -0.1828
            25  O3b O    -3.8966    0.6448
BOND        26
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25    7   8 1
            26   12  15 1


entry: C00016
name: --- - FAD - Flavin adenine dinucleotide
formula: C27H33N9O15P2
kcf:
ATOM        53
            1   N4x N    20.7900  -12.8800
            2   C8y C    20.7900  -14.2800
            3   N5x N    21.9800  -14.9800
            4   C8y C    23.2400  -14.2800
            5   C8y C    23.2400  -12.8800
            6   C8y C    21.9800  -12.1800
            7   N4y N    24.4300  -14.9800
            8   C8y C    25.6200  -14.2800
            9   C8y C    25.6200  -12.8800
            10  N5x N    24.4300  -12.1800
            11  C8x C    26.8800  -14.9800
            12  C8y C    28.0700  -14.2800
            13  C8y C    28.0700  -12.8800
            14  C8x C    26.8800  -12.1800
            15  O5x O    21.9800  -10.7800
            16  O5x O    19.6000  -14.9800
            17  C1a C    29.2600  -12.1800
            18  C1a C    29.2600  -14.9800
            19  C1b C    24.4300  -17.2900
            20  C1c C    25.6200  -17.9900
            21  C1c C    26.8100  -17.2900
            22  C1c C    28.0000  -17.9900
            23  C1b C    29.1900  -17.2900
            24  O2b O    30.3800  -17.9900
            25  O1a O    25.6200  -19.3900
            26  O1a O    28.0000  -19.3900
            27  O1a O    26.8100  -15.8900
            28  P1b P    31.7800  -17.9900
            29  O2c O    33.1800  -17.9900
            30  O3b O    31.7800  -16.5900
            31  O1c O    31.7800  -19.3900
            32  P1b P    34.5800  -17.9900
            33  O2b O    35.9800  -17.9900
            34  O3b O    34.5800  -16.5900
            35  O1c O    34.5800  -19.3900
            36  C1y C    38.4300  -17.9900
            37  C1b C    37.2400  -17.2900
            38  C1y C    38.8500  -19.3200
            39  C1y C    40.2500  -19.3200
            40  C1y C    40.6700  -17.9900
            41  O2x O    39.5500  -17.1500
            42  O1a O    38.0100  -20.4400
            43  O1a O    41.0200  -20.5100
            44  N5x N    38.5000  -13.9300
            45  C8x C    38.5000  -15.3300
            46  N5x N    39.6900  -16.0300
            47  C8y C    40.9500  -15.3300
            48  C8y C    40.9500  -13.9300
            49  C8y C    39.6900  -13.2300
            50  N4y N    42.2800  -15.7500
            51  C8x C    43.0500  -14.6300
            52  N5x N    42.2800  -13.5100
            53  N1a N    39.6900  -11.8300
BOND        58
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 2
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17    6  15 2
            18    2  16 2
            19   13  17 1
            20   12  18 1
            21    7  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   20  25 1 #Up
            28   22  26 1 #Up
            29   21  27 1 #Down
            30   24  28 1
            31   28  29 1
            32   28  30 2
            33   28  31 1
            34   29  32 1
            35   32  33 1
            36   32  34 2
            37   32  35 1
            38   36  37 1 #Up
            39   33  37 1
            40   36  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   36  41 1
            45   38  42 1 #Down
            46   39  43 1 #Down
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   47  48 1
            51   48  49 2
            52   44  49 1
            53   47  50 1
            54   50  51 1
            55   51  52 2
            56   48  52 1
            57   40  50 1 #Up
            58   49  53 1


entry: C00017
name: --- - Protein
formula: C4H6N2O3R2(C2H2NOR)n
kcf:
ATOM        16
            1   C5a C     0.3931    0.2966
            2   C1c C    -0.3138   -0.1138
            3   N1b N     1.8517   -0.2345
            4   O5a O     0.3931    1.1069
            5   N1b N    -1.2414    0.1724
            6   R   R    -0.3138   -0.9310
            7   C1c C     2.5586    0.1724
            8   C5a C    -2.3345   -0.2379
            9   C6a C     3.2655   -0.2379
            10  R   R     2.5586    0.9897
            11  C1c C    -3.0414    0.1724
            12  O5a O    -2.3345   -1.0517
            13  O6a O     3.9724    0.1690
            14  O6a O     3.2586   -1.0552
            15  N1a N    -3.7483   -0.2379
            16  R   R    -3.0414    0.9897
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1 #Up
            10    8  11 1
            11    8  12 2
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   11  16 1 #Up


entry: C00018
name: --- - Pyridoxal phosphate - Pyridoxal 5-phosphate - Pyridoxal 5'-phosphate
formula: C8H10NO6P
kcf:
ATOM        16
            1   C8y C    21.3604  -16.5137
            2   C8y C    20.1343  -15.8139
            3   C8x C    21.3604  -17.9260
            4   C1b C    22.5672  -15.8073
            5   C8y C    18.9274  -16.5137
            6   C4a C    20.1278  -14.4208
            7   N5x N    20.1343  -18.6384
            8   O2b O    23.7741  -16.5072
            9   C8y C    18.9274  -17.9260
            10  O1a O    17.7141  -15.8139
            11  O4a O    21.3347  -13.7146
            12  P1b P    25.1544  -16.5263
            13  C1a C    17.7141  -18.6192
            14  O1c O    26.5475  -16.5263
            15  O1c O    25.1480  -18.0660
            16  O3b O    25.1544  -14.9934
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   12  16 2
            16    7   9 2


entry: C00019
name: --- - S-Adenosyl-L-methionine - S-Adenosylmethionine - Acylcarnitine
formula: C15H23N6O5S
kcf:
ATOM        27
            1   N4y N     1.7586    0.4310
            2   C8y C     2.3828   -0.0034
            3   C1y C     0.9931    0.1862
            4   C8x C     2.0379    1.2552
            5   C8y C     3.1103    0.5310
            6   N5x N     2.4621   -0.8414
            7   O2x O     0.3241    0.6862
            8   C1y C     0.7414   -0.5517
            9   N5x N     2.8897    1.2517
            10  C8y C     3.8517    0.2034
            11  C8x C     3.2448   -1.1897
            12  C1y C    -0.3276    0.2207
            13  C1y C    -0.0724   -0.5517
            14  O1a O     0.9828   -1.3379
            15  N5x N     3.9448   -0.6724
            16  N1a N     4.5034    0.6897
            17  C1b C    -1.0931    0.4621
            18  O1a O    -0.3379   -1.3345
            19  S0  S    -1.7483   -0.0310 #+
            20  C1b C    -2.4655    0.3828
            21  C1a C    -1.7000   -0.8517
            22  C1b C    -3.1793   -0.0276
            23  C1c C    -3.8897    0.3828
            24  C6a C    -4.6034   -0.0276
            25  N1a N    -3.8897    1.2103
            26  O6a O    -5.3172    0.3828
            27  O6a O    -4.6034   -0.8517
BOND        29
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   19  21 1
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   24  27 2
            27    5   9 1
            28   11  15 1
            29   12  13 1


entry: C00020
formula: C10H14N5O7P
name:
--- 
- AMP
- Adenosine 5'-monophosphate
- Adenylic acid
- Adenylate
- 5'-AMP
- 5'-Adenylic acid
- 5'-Adenosine monophosphate
- Adenosine 5'-phosphate

kcf:
ATOM        23
            1   N4y N    26.8561  -17.8969
            2   C8y C    27.9291  -18.6376
            3   C1y C    25.5732  -18.3168
            4   C8x C    27.3401  -16.4973
            5   C8y C    29.1654  -17.7277
            6   N5x N    28.0632  -20.0603
            7   O2x O    24.4302  -17.4595
            8   C1y C    25.1416  -19.5706
            9   N5x N    28.7923  -16.5032
            10  C8y C    30.4251  -18.2818
            11  C8x C    29.3928  -20.6493
            12  C1y C    23.3223  -18.2584
            13  C1y C    23.7537  -19.5706
            14  O1a O    25.8007  -20.7077
            15  N5x N    30.5883  -19.7747
            16  N1a N    31.5329  -17.4538
            17  C1b C    21.9985  -17.8270
            18  O1a O    23.3047  -20.8944
            19  O2b O    20.9605  -18.7541
            20  P1b P    19.5609  -18.7541
            21  O1c O    19.5552  -20.1537
            22  O1c O    18.1673  -18.7541
            23  O3b O    19.5552  -17.3604
BOND        25
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23    5   9 1
            24   11  15 1
            25   12  13 1


entry: C00021
name: --- - S-Adenosyl-L-homocysteine - S-Adenosylhomocysteine
formula: C14H20N6O5S
kcf:
ATOM        26
            1   C1b C    21.0520  -18.4539
            2   S2a S    22.4664  -18.4539
            3   C1b C    20.3448  -17.2291
            4   C1c C    18.9232  -17.2254
            5   N1a N    18.1428  -18.3783
            6   C6a C    18.2193  -15.9985
            7   O6a O    18.9297  -14.7755
            8   O6a O    16.8049  -15.9948
            9   N4y N    27.5033  -15.6046
            10  C8y C    25.2567  -15.6046
            11  C1y C    26.5574  -17.8391
            12  C8x C    27.5091  -14.3039
            13  C8y C    25.2567  -14.3039
            14  N5x N    24.1276  -16.2607
            15  O2x O    25.4933  -17.0706
            16  C1y C    26.1672  -19.0452
            17  N5x N    26.3800  -13.6478
            18  C8y C    24.1276  -13.6596
            19  C8x C    23.0162  -15.6046
            20  C1y C    24.4528  -17.8155
            21  C1y C    24.8607  -19.0452
            22  O1a O    26.9298  -20.0797
            23  N5x N    23.0162  -14.3039
            24  N1a N    24.1276  -12.3052
            25  C1b C    23.2349  -17.4371
            26  O1a O    24.0576  -20.1615
BOND        28
            1     1   3 1
            2     4   6 1
            3     1   2 1
            4     6   7 1
            5     3   4 1
            6     6   8 2
            7     4   5 1 #Down
            8     9  10 1
            9    11   9 1 #Up
            10    9  12 1
            11   10  13 2
            12   10  14 1
            13   11  15 1
            14   11  16 1
            15   12  17 2
            16   13  18 1
            17   14  19 2
            18   15  20 1
            19   16  21 1
            20   16  22 1 #Down
            21   18  23 2
            22   18  24 1
            23   20  25 1 #Up
            24   21  26 1 #Down
            25   25   2 1
            26   13  17 1
            27   19  23 1
            28   20  21 1


entry: C00022
name: --- - Pyruvate - Pyruvic acid - 2-Oxopropanoate - 2-Oxopropanoic acid - Pyroracemic acid
formula: C3H4O3
kcf:
ATOM        6
            1   C5a C    -0.3241    0.1862
            2   C6a C     0.3241   -0.1862
            3   C1a C    -0.9724   -0.1862
            4   O5a O    -0.3241    0.9379
            5   O6a O     0.3241   -0.9379
            6   O6a O     0.9724    0.1897
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2


entry: C00024
name: --- - Acetyl-CoA - Acetyl coenzyme A
formula: C23H38N7O17P3S
kcf:
ATOM        51
            1   N4y N     0.7379    1.7724
            2   C1y C     0.0034    1.5345
            3   C8y C     2.0690    1.7724
            4   C8x C     0.7379    2.5483
            5   O2x O    -0.6207    1.9931
            6   C1y C    -0.2379    0.8069
            7   C8y C     2.0724    2.5483
            8   N5x N     2.7345    1.3862
            9   N5x N     1.4034    2.9310
            10  C1y C    -1.2448    1.5345
            11  C1y C    -1.0069    0.8069
            12  O1a O     0.2172    0.1828
            13  C8y C     2.7379    2.9276
            14  C8x C     3.4000    1.7655
            15  C1b C    -1.9793    1.7759
            16  O2b O    -1.4034    0.2172
            17  N5x N     3.4034    2.5414
            18  N1a N     2.7414    3.6931
            19  O2b O    -3.0862    1.2000
            20  P1b P    -2.4207    0.2172
            21  P1b P    -3.8586    1.2000
            22  O1c O    -3.2276    0.2172
            23  O1c O    -2.4207    1.1172
            24  O3b O    -2.4207   -0.5552
            25  O2c O    -3.8448   -0.3483
            26  O1c O    -3.8621    1.9724
            27  O3b O    -4.6276    1.2069
            28  P1b P    -3.8655   -1.7414
            29  O2b O    -3.0897   -1.7414
            30  O1c O    -3.8690   -2.5103
            31  O3b O    -4.6379   -1.7414
            32  C1b C    -2.4276   -1.3517
            33  C1d C    -1.7621   -1.7414
            34  C1c C    -1.1000   -1.3517
            35  C1a C    -1.7621   -2.5103
            36  C1a C    -1.7655   -0.9724
            37  C5a C    -0.4310   -1.7414
            38  O1a O    -1.1000   -0.5862
            39  N1b N     0.2345   -1.3517
            40  O5a O    -0.4310   -2.5103
            41  C1b C     0.8966   -1.7414
            42  C1b C     1.5621   -1.3517
            43  C5a C     2.2276   -1.7414
            44  N1b N     2.8931   -1.3517
            45  O5a O     2.2276   -2.5103
            46  C1b C     3.5552   -1.7414
            47  C1b C     4.2207   -1.3517
            48  S2a S     4.8793   -1.7345
            49  C5a C     5.6103   -1.3345
            50  C1a C     6.3207   -1.7552
            51  O5a O     5.6172   -0.5103
BOND        53
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51    7   9 1
            52   10  11 1
            53   14  17 1


entry: C00025
name: --- - L-Glutamate - L-Glutamic acid - L-Glutaminic acid
formula: C5H9NO4
kcf:
ATOM        10
            1   C1c C    23.8372  -17.4608
            2   C1b C    25.0252  -16.7233
            3   C6a C    22.6023  -16.7994
            4   N1a N    23.8781  -18.8595
            5   C1b C    26.2601  -17.3788
            6   O6a O    21.4434  -17.5954
            7   O6a O    22.6198  -15.4007
            8   C6a C    27.4482  -16.6414
            9   O6a O    28.6830  -17.3028
            10  O6a O    27.4714  -15.2426
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 2


entry: C00026
name: --- - 2-Oxoglutarate - Oxoglutaric acid - 2-Ketoglutaric acid - alpha-Ketoglutaric acid
formula: C5H6O5
kcf:
ATOM        10
            1   C5a C    23.3536  -16.5190
            2   C1b C    22.1378  -15.8177
            3   C6a C    24.5630  -15.8177
            4   O5a O    23.3536  -17.9913
            5   C1b C    20.9284  -16.5190
            6   O6a O    25.7725  -16.5253
            7   O6a O    24.5565  -14.4217
            8   C6a C    19.7126  -15.8177
            9   O6a O    19.7189  -14.4217
            10  O6a O    18.5031  -16.5253
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 2


entry: C00027
name: --- - H2O2 - Hydrogen peroxide - Oxydol
formula: H2O2
kcf:
ATOM        2
            1   O1a O    29.6100  -14.4200
            2   O1a O    31.0100  -14.4200
BOND        1
            1     1   2 1


entry: C00029
name: --- - UDP-glucose - UDPglucose - UDP-D-glucose - Uridine diphosphate glucose
formula: C15H24N2O17P2
kcf:
ATOM        36
            1   C1y C     7.7671  -11.3417
            2   N4y N     8.5617  -11.0816
            3   O2x O     7.1255  -10.8664
            4   C1y C     7.5243  -12.1501
            5   C8y C     9.1792  -11.6293
            6   C8x C     8.7315  -10.2732
            7   C1y C     6.4488  -11.3589
            8   C1y C     6.6986  -12.1501
            9   O1a O     8.0099  -12.8158
            10  N4x N     9.9738  -11.3693
            11  O5x O     9.0164  -12.4378
            12  C8x C     9.5158  -10.0055
            13  C1b C     5.6611  -11.1057
            14  O1a O     6.2060  -12.8124
            15  C8y C    10.1401  -10.5573
            16  O2b O     5.0747  -11.6818
            17  O5x O    10.9279  -10.3007
            18  P1b P     4.2490  -11.6818
            19  O2c O     3.4233  -11.6818
            20  O1c O     4.2456  -12.5074
            21  O3b O     4.2456  -10.8560
            22  P1b P     2.6010  -11.6783
            23  O2b O     1.7719  -11.6783
            24  O1c O     2.5941  -12.5005
            25  O3b O     2.5941  -10.8526
            26  C1y C     1.0572  -12.0874
            27  O2x O     0.3460  -11.6783
            28  C1y C     1.0572  -12.9130
            29  C1y C    -0.3686  -12.0874
            30  C1y C     0.3460  -13.3263
            31  O1a O     1.7719  -13.3263
            32  C1y C    -0.3686  -12.9130
            33  C1b C    -1.0833  -11.6783
            34  O1a O     0.3460  -14.1520
            35  O1a O    -1.0833  -13.3263
            36  O1a O    -1.7936  -12.0874
BOND        38
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1
            36    7   8 1
            37   12  15 1
            38   30  32 1


entry: C00031
name: --- - D-Glucose - Grape sugar - Dextrose
formula: C6H12O6
kcf:
ATOM        12
            1   C1y C    24.2781  -16.5372
            2   C1y C    24.2781  -17.9377
            3   O2x O    25.4860  -15.8370
            4   C1b C    23.0643  -15.8370
            5   C1y C    25.4860  -18.6379
            6   O1a O    23.0643  -18.6379
            7   C1y C    26.7055  -16.5372
            8   O1a O    22.0023  -16.7474
            9   C1y C    26.7055  -17.9377
            10  O1a O    25.4860  -20.0383
            11  O1a O    27.9134  -15.8370
            12  O1a O    27.9134  -18.6379
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Either
            11    9  12 1 #Down
            12    7   9 1


entry: C00032
name: --- - Heme - Haem - Protoheme - Heme B - Protoheme IX
formula: C34H32FeN4O4
kcf:
ATOM        43
            1   C8y C    23.5610  -20.0692
            2   C8x C    22.3176  -20.6116
            3   N4y N    23.6554  -18.7138
            4   C8y C    24.8932  -20.5819
            5   C8y C    21.0380  -20.1008
            6   C8y C    24.9757  -18.3989
            7   C8y C    25.7023  -19.5467
            8   C8y C    19.8311  -20.7064
            9   N5x N    20.8234  -18.7501
            10  C8x C    25.4634  -17.1789
            11  N4y N    20.7289  -15.8224
            12  C8y C    18.8605  -19.8013
            13  C8y C    19.4915  -18.5297
            14  C8y C    24.9640  -15.9602
            15  C8y C    20.9016  -14.4719
            16  C8y C    19.3784  -16.0605
            17  C8x C    18.9504  -17.3284
            18  C8y C    25.5764  -14.7284
            19  N5x N    23.6193  -15.7513
            20  C8y C    19.6699  -13.8957
            21  C8x C    22.1334  -13.8129
            22  C8y C    18.7370  -14.8707
            23  C8y C    24.6071  -13.7885
            24  C8y C    23.3999  -14.4195
            25  C2b C    19.6583  -12.5218
            26  C1a C    17.3689  -14.8707
            27  C1a C    24.5955  -12.4144
            28  C2a C    20.8428  -11.8212
            29  C2b C    26.9329  -14.5028
            30  C2a C    27.8476  -15.6139
            31  C1b C    24.8561  -22.0262
            32  C1b C    26.0978  -22.7767
            33  C6a C    26.0613  -24.2198
            34  O6a O    27.3028  -24.9704
            35  O6a O    24.7973  -24.9194
            36  C1b C    19.7760  -22.0512
            37  C1b C    18.5784  -22.6830
            38  C6a C    18.5234  -24.0277
            39  O6a O    17.3258  -24.6524
            40  O6a O    19.6591  -24.7546
            41  C1a C    17.4184  -19.8676
            42  C1a C    27.0111  -19.6099
            43  Z   Fe   22.1508  -17.2693 #2+
BOND        48
            1    11  16 1
            2    13  17 2
            3    14  18 1
            4    14  19 2
            5    15  20 2
            6    15  21 1
            7    16  22 2
            8    18  23 2
            9    19  24 1
            10   20  25 1
            11   22  26 1
            12   23  27 1
            13    6   7 1
            14   12  13 1
            15   16  17 1
            16   20  22 1
            17   21  24 2
            18   23  24 1
            19   25  28 2
            20   18  29 1
            21   29  30 2
            22    1   2 2
            23    4  31 1
            24    1   3 1
            25   31  32 1
            26    1   4 1
            27   32  33 1
            28    2   5 1
            29   33  34 2
            30    3   6 1
            31   33  35 1
            32    4   7 2
            33    8  36 1
            34    5   8 1
            35   36  37 1
            36    5   9 2
            37   37  38 1
            38    6  10 2
            39   38  39 1
            40    8  12 2
            41   38  40 2
            42    9  13 1
            43   12  41 1
            44   10  14 1
            45    7  42 1
            46   11  15 1
            47   11  43 1
            48    3  43 1


entry: C00033
name: --- - Acetate - Acetic acid - Ethanoic acid - Glacial acetic acid
formula: C2H4O2
kcf:
ATOM        4
            1   C6a C    24.5700  -15.7500
            2   C1a C    25.7840  -16.4527
            3   O6a O    23.3619  -16.4527
            4   O6a O    24.5700  -14.3503
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: C00035
name: --- - GDP - Guanosine 5'-diphosphate - Guanosine diphosphate
formula: C10H15N5O11P2
kcf:
ATOM        28
            1   N4y N     1.5966    0.5448
            2   C8y C     2.2241    0.1069
            3   C1y C     0.8310    0.2966
            4   C8x C     1.8793    1.3724
            5   C8y C     2.9586    0.6448
            6   N5x N     2.3069   -0.7345
            7   O2x O     0.1586    0.8034
            8   C1y C     0.5759   -0.4448
            9   N5x N     2.7379    1.3690
            10  C8y C     3.7000    0.3172
            11  C8y C     3.0897   -1.0828
            12  C1y C    -0.4966    0.3310
            13  C1y C    -0.2414   -0.4448
            14  O1a O     1.0552   -1.1172
            15  N4x N     3.7966   -0.5655
            16  O5x O     4.3586    0.8069
            17  N1a N     3.1793   -1.9035
            18  C1b C    -1.2828    0.5862
            19  O1a O    -0.5069   -1.2276
            20  O2b O    -1.8966    0.0379
            21  P1b P    -2.7207    0.0379
            22  O2c O    -3.5448    0.0379
            23  O1c O    -2.7241   -0.7897
            24  O3b O    -2.7241    0.8621
            25  P1b P    -4.3690    0.0414
            26  O1c O    -4.3759   -0.7862
            27  O1c O    -5.1966    0.0414
            28  O3b O    -4.3759    0.8655
BOND        30
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   12  18 1 #Up
            18   13  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28    5   9 1
            29   11  15 1
            30   12  13 1


entry: C00036
formula: C4H4O5
name:
--- 
- Oxaloacetate
- Oxalacetic acid
- Oxaloacetic acid
- 2-Oxobutanedioic acid
- Oxosuccinic acid
- keto-Oxaloacetate

kcf:
ATOM        9
            1   C5a C    21.5736  -15.6638
            2   C1b C    22.9771  -15.6638
            3   C6a C    20.6530  -16.7130
            4   O5a O    21.0529  -14.4776
            5   C6a C    23.6787  -16.8742
            6   O6a O    19.2817  -16.4364
            7   O6a O    21.0402  -18.0393
            8   O6a O    22.9706  -18.0843
            9   O6a O    25.0057  -16.7976
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 2


entry: C00037
name: --- - Glycine - Aminoacetic acid - Gly
formula: C2H5NO2
kcf:
ATOM        5
            1   C6a C    23.1647  -17.2677
            2   C1b C    24.3169  -18.0242
            3   O6a O    21.9368  -17.9603
            4   O6a O    23.1881  -15.8654
            5   N1a N    24.2876  -19.4324
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1


entry: C00039
formula: C10H17O8PR2(C5H8O5PR)n
name:
--- 
- DNA
- DNAn
- DNAn+1
- (Deoxyribonucleotide)n
- (Deoxyribonucleotide)m
- (Deoxyribonucleotide)n+m
- Deoxyribonucleic acid

kcf:
ATOM        33
            1   C1y C    -0.0724    0.2690
            2   C1y C     0.1793   -0.5172
            3   O2x O     0.5897    0.7483
            4   C1b C    -0.8552    0.5276
            5   C1x C     1.0069   -0.5172
            6   O2b O    -0.3069   -1.1793
            7   C1y C     1.2621    0.2690
            8   O2b O    -2.1552    1.3379
            9   P1b P    -0.3103   -2.0069
            10  R   R     2.0448    0.5276
            11  P1b P    -2.1586    2.1621
            12  O2b O    -0.2483   -2.8793
            13  O1c O    -1.1345   -2.0035
            14  O3b O     0.5138   -2.0069
            15  O2b O    -2.1586    2.9862
            16  O1c O    -2.9828    2.1655
            17  O3b O    -1.3379    2.1621
            18  C1b C     1.3724   -3.5103
            19  C1y C    -1.6690    3.6517
            20  C1y C     2.1552   -3.7690
            21  C1y C    -1.9172    4.4345
            22  C1x C    -0.8414    3.6517
            23  O2x O     2.8138   -3.2862
            24  C1y C     2.4069   -4.5552
            25  O2x O    -1.2552    4.9103
            26  C1b C    -2.7000    4.6897
            27  C1y C    -0.5862    4.4345
            28  C1y C     3.4897   -3.7690
            29  C1x C     3.2345   -4.5552
            30  O1a O     1.9207   -5.2172
            31  O1a O    -3.3138    4.1448
            32  R   R     0.1966    4.6897
            33  R   R     4.2690   -3.5103
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     7  10 1 #Up
            10    8  11 1
            11    9  12 1
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   19  15 1 #Down
            19   20  18 1 #Up
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1 #Down
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1 #Up
            33    5   7 1
            34   25  27 1
            35   28  29 1


entry: C00040
name: --- - Acyl-CoA - Acyl coenzyme A
formula: C22H35N7O17P3SR
kcf:
ATOM        51
            1   N4y N     1.1069    3.0310
            2   C1y C     0.8345    1.2759
            3   C8y C    -0.1966    3.0310
            4   C8x C     1.1172    3.7862
            5   O2x O     0.2138    1.7241
            6   C1y C     0.6069    0.5724
            7   C8y C    -0.1966    3.7862
            8   N5x N    -0.8552    2.6448
            9   N5x N     0.4621    4.1690
            10  C1y C    -0.3966    1.2862
            11  C1y C    -0.1586    0.5724
            12  O1a O     1.0483   -0.0345
            13  C8y C    -0.8552    4.1621
            14  C8x C    -1.5035    3.0310
            15  C1b C    -1.1000    1.5069
            16  O2b O    -0.5448    0.0345
            17  N5x N    -1.5035    3.7862
            18  N1a N    -0.8552    4.9138
            19  O2b O    -2.1241    1.0241
            20  P1b P    -1.3414    0.0379
            21  P1b P    -3.3207    1.0103
            22  O1c O    -1.2828    0.7517
            23  O1c O    -2.0759    0.0207
            24  O3b O    -1.3483   -0.7138
            25  O2c O    -3.3241   -0.5793
            26  O1c O    -3.3345    1.7414
            27  O3b O    -4.0759    1.0241
            28  P1b P    -3.3172   -2.1069
            29  O2b O    -2.4828   -2.1069
            30  O1c O    -3.3310   -2.9931
            31  O3b O    -4.0138   -2.1103
            32  C1b C    -1.8897   -1.7172
            33  C1d C    -1.2414   -2.0931
            34  C1c C    -0.5897   -1.7172
            35  C1a C    -1.2345   -2.6724
            36  C1a C    -1.2931   -1.3207
            37  C5a C     0.0586   -2.0931
            38  O1a O    -0.5897   -0.9690
            39  N1b N     0.7069   -1.7172
            40  O5a O     0.0586   -2.8414
            41  C1b C     1.3586   -2.0931
            42  C1b C     2.0069   -1.7172
            43  C5a C     2.6552   -2.0931
            44  N1b N     3.3069   -1.7172
            45  O5a O     2.6552   -2.8414
            46  C1b C     3.9552   -2.0931
            47  C1b C     4.6069   -1.7172
            48  S2a S     5.2552   -2.0931
            49  C5a C     5.9035   -1.7172
            50  O5a O     5.9035   -0.9655
            51  R   R     6.5552   -2.0931
BOND        53
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 2
            50   49  51 1
            51    7   9 1
            52   10  11 1
            53   14  17 1


entry: C00041
name: --- - L-Alanine - L-2-Aminopropionic acid - L-alpha-Alanine
formula: C3H7NO2
kcf:
ATOM        6
            1   O6a O    22.7503  -15.7507
            2   C6a C    23.9627  -15.0506
            3   C1c C    25.1753  -15.7507
            4   C1a C    26.3878  -15.0506
            5   O6a O    23.9627  -13.6508
            6   N1a N    25.1753  -17.1506
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     3   6 1 #Down


entry: C00042
name: --- - Succinate - Succinic acid - Butanedionic acid - Ethylenesuccinic acid
formula: C4H6O4
kcf:
ATOM        8
            1   O6a O    16.9400  -13.4400
            2   C6a C    18.1524  -12.7400
            3   C1b C    19.3649  -13.4400
            4   C1b C    20.5773  -12.7400
            5   C6a C    21.7897  -13.4400
            6   O6a O    23.0022  -12.7400
            7   O6a O    18.1524  -11.3402
            8   O6a O    21.7897  -14.8399
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2


entry: C00043
name: --- - UDP-N-acetyl-D-glucosamine - UDP-N-acetylglucosamine
formula: C17H27N3O17P2
kcf:
ATOM        39
            1   C1y C     3.3724   -0.4759
            2   N4y N     4.0034    0.8310
            3   O2x O     2.7138    0.0034
            4   C1y C     3.1379   -1.2310
            5   C8y C     3.3103    1.2517
            6   C8x C     4.7138    1.2517
            7   C1y C     2.0655   -0.4621
            8   C1y C     2.3310   -1.2310
            9   O1a O     3.6138   -1.8862
            10  N4x N     3.3103    2.0690
            11  O5x O     2.6069    0.8517
            12  C8x C     4.7138    2.0690
            13  C1b C     1.3000   -0.2207
            14  O1a O     1.8552   -1.8862
            15  C8y C     4.0069    2.4690
            16  O2b O     1.1276    0.5690
            17  O5x O     4.0069    3.2793
            18  P1b P     0.3172    0.5690
            19  O2c O    -0.4897    0.5690
            20  O1c O     0.3172    1.3793
            21  O3b O     0.3138   -0.2345
            22  P1b P    -1.2931    0.5690
            23  O2b O    -2.1069    0.5724
            24  O1c O    -1.2931    1.3793
            25  O3b O    -1.2931   -0.2345
            26  C1y C    -2.8069    0.1759
            27  C1y C    -2.8069   -0.6379
            28  O2x O    -3.5103    0.5724
            29  C1y C    -3.5103   -1.0379
            30  N1b N    -1.9552   -1.3138
            31  C1y C    -4.2103    0.1759
            32  C1y C    -4.2103   -0.6379
            33  O1a O    -3.5103   -1.8448
            34  C5a C    -1.7103   -2.0379
            35  C1b C    -4.8966    0.5724
            36  O1a O    -4.8966   -1.0379
            37  C1a C    -0.9138   -2.1379
            38  O5a O    -2.2069   -2.6759
            39  O1a O    -5.5138    0.0552
BOND        41
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1
            34   31  35 1 #Up
            35   32  36 1 #Down
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39    7   8 1
            40   12  15 1
            41   31  32 1


entry: C00044
name: --- - GTP - Guanosine 5'-triphosphate
formula: C10H16N5O14P3
kcf:
ATOM        32
            1   N4y N     2.3724    0.5379
            2   C8y C     2.9966    0.0966
            3   C1y C     1.6103    0.2862
            4   C8x C     2.6483    1.3586
            5   C8y C     3.7241    0.6379
            6   N5x N     3.0759   -0.7414
            7   O2x O     0.9379    0.7931
            8   C1y C     1.3552   -0.4517
            9   N5x N     3.5034    1.3552
            10  C8y C     4.4621    0.3069
            11  C8y C     3.8586   -1.0828
            12  C1y C     0.2862    0.3207
            13  C1y C     0.5414   -0.4517
            14  O1a O     1.8310   -1.1172
            15  N4x N     4.5586   -0.5690
            16  O5x O     5.1138    0.7966
            17  N1a N     3.9483   -1.9000
            18  C1b C    -0.4931    0.5793
            19  O1a O     0.2759   -1.2276
            20  O2b O    -1.1069    0.0310
            21  P1b P    -1.9310    0.0310
            22  O2c O    -2.7586    0.0310
            23  O1c O    -1.9379   -0.7931
            24  O3b O    -1.9379    0.8552
            25  P1b P    -3.5828    0.0345
            26  O2c O    -4.4069    0.0345
            27  O1c O    -3.5862   -0.7897
            28  O3b O    -3.5862    0.8621
            29  P1b P    -5.2310    0.0414
            30  O1c O    -5.2379   -0.7862
            31  O1c O    -6.0586    0.0448
            32  O3b O    -5.2379    0.8655
BOND        34
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   12  18 1 #Up
            18   13  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 2
            32    5   9 1
            33   11  15 1
            34   12  13 1


entry: C00045
name: --- - Amino acid
formula: C2H4NO2R
kcf:
ATOM        6
            1   C1c C    21.7352  -15.8679
            2   C6a C    22.8823  -16.5328
            3   N1a N    20.3015  -16.7708
            4   R   R    21.7352  -14.5439
            5   O6a O    24.0293  -15.8679
            6   O6a O    22.8763  -18.0028
BOND        5
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 2


entry: C00046
formula: C10H18O13P2R2(C5H8O6PR)n
name:
--- 
- RNA
- RNAn
- RNAn+1
- RNA(linear)
- (Ribonucleotide)n
- (Ribonucleotide)m
- (Ribonucleotide)n+m
- Ribonucleic acid

kcf:
ATOM        40
            1   C1y C     0.4034   -0.1069
            2   C1y C     0.6483   -0.8414
            3   O2x O     1.0276    0.3517
            4   C1b C     0.0345    0.6793
            5   C1y C     1.4414   -0.8414
            6   O2b O     0.1000   -2.1310
            7   C1y C     1.6586   -0.1172
            8   O2b O    -0.7448    0.6793
            9   O1a O     1.8931   -1.4621
            10  P1b P     0.1000   -2.9069
            11  R   R     2.4000    0.1172
            12  P1b P    -1.5172    0.6793
            13  O2b O     0.8379   -2.9172
            14  O1c O     0.1000   -3.6793
            15  O3b O    -0.6724   -2.9069
            16  O2b O    -1.5172    1.4552
            17  O1c O    -1.5172   -0.0931
            18  O3b O    -2.2931    0.6793
            19  C1b C     1.7103   -2.9172
            20  C1y C    -1.5172    2.7448
            21  C1y C     2.2379   -3.6897
            22  C1y C    -1.7552    3.4828
            23  C1y C    -0.7276    2.7448
            24  O2x O     2.8552   -3.2414
            25  C1y C     2.4793   -4.4241
            26  O2x O    -1.1379    3.9276
            27  C1b C    -2.1207    4.2172
            28  C1y C    -0.5034    3.4690
            29  O1a O    -0.2655    2.1207
            30  C1y C     3.4931   -3.7000
            31  C1y C     3.2690   -4.4241
            32  O1a O     2.1345   -5.1207
            33  O2b O    -2.9000    4.2172
            34  R   R     0.2345    3.7034
            35  R   R     4.2379   -3.4655
            36  O1a O     3.7241   -5.0483
            37  P1b P    -3.6793    4.2241
            38  O1c O    -3.6828    5.0069
            39  O1c O    -3.6828    3.4345
            40  O3b O    -4.4655    4.2241
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1 #Down
            9     6  10 1
            10    7  11 1 #Up
            11    8  12 1
            12   10  13 1
            13   10  14 1
            14   10  15 2
            15   12  16 1
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   16  20 1
            20   21  19 1 #Up
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1
            28   23  29 1 #Down
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Down
            32   27  33 1
            33   28  34 1 #Up
            34   30  35 1 #Up
            35   31  36 1 #Down
            36   33  37 1
            37   37  38 1
            38   37  39 1
            39   37  40 2
            40    5   7 1
            41   26  28 1
            42   30  31 1


entry: C00047
name: --- - L-Lysine - Lysine acid - 2,6-Diaminohexanoic acid
formula: C6H14N2O2
kcf:
ATOM        10
            1   C1c C    23.8445  -19.4489
            2   C1b C    25.0597  -18.7711
            3   C6a C    22.6936  -18.7010
            4   N1a N    23.8854  -20.8569
            5   C1b C    26.2691  -19.4839
            6   O6a O    21.4667  -19.3847
            7   O6a O    22.6468  -17.2987
            8   C1b C    27.4962  -18.8003
            9   C1b C    28.7056  -19.5190
            10  N1a N    29.9325  -18.8353
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1


entry: C00048
name: --- - Glyoxylate - Glyoxalate - Glyoxylic acid
formula: C2H2O3
kcf:
ATOM        5
            1   C6a C    -0.2241    0.1310
            2   C4a C     0.1483   -0.5207
            3   O6a O     0.1586    0.7793
            4   O6a O    -0.9793    0.1345
            5   O4a O     0.8966   -0.5241
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2


entry: C00049
name: --- - L-Aspartate - L-Aspartic acid - 2-Aminosuccinic acid
formula: C4H7NO4
kcf:
ATOM        9
            1   C1c C    22.6267  -16.4326
            2   C1b C    23.8887  -15.8192
            3   C6a C    21.3997  -15.7841
            4   N1a N    22.6150  -17.9519
            5   C6a C    25.0283  -16.6138
            6   O6a O    20.2076  -16.4970
            7   O6a O    21.4231  -14.4050
            8   O6a O    26.3255  -16.0004
            9   O6a O    25.0807  -17.9109
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 2


entry: C00051
formula: C10H17N3O6S
name:
--- 
- Glutathione
- Reduced glutathione
- 5-L-Glutamyl-L-cysteinylglycine
- N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
- gamma-L-Glutamyl-L-cysteinyl-glycine
- GSH

kcf:
ATOM        20
            1   O6a O    24.0100  -16.3100
            2   C6a C    25.2000  -15.6100
            3   C1c C    26.4600  -16.3100
            4   C1b C    27.6500  -15.6100
            5   C1b C    28.8400  -16.3100
            6   C5a C    30.1000  -15.6100
            7   N1b N    31.2900  -16.3100
            8   C1c C    32.4800  -15.6100
            9   C5a C    33.7400  -16.3100
            10  N1b N    34.9300  -15.6100
            11  C1b C    36.1200  -16.3100
            12  C6a C    37.3800  -15.6100
            13  O6a O    38.5700  -16.3100
            14  O6a O    25.2000  -14.2100
            15  N1a N    26.4600  -17.7100
            16  O5a O    30.1000  -14.2100
            17  C1b C    32.4800  -14.2100
            18  S1a S    33.6700  -13.5100
            19  O5a O    33.7400  -17.7100
            20  O6a O    37.3800  -14.2100
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    2  14 2
            14    3  15 1 #Down
            15    6  16 2
            16    8  17 1 #Up
            17   17  18 1
            18    9  19 2
            19   12  20 2


entry: C00052
name: --- - UDP-D-galactose - UDP-galactose - UDP-D-galactopyranose
formula: C15H24N2O17P2
kcf:
ATOM        36
            1   C1y C    28.5316  -18.1619
            2   N4y N    29.6016  -15.9335
            3   O2x O    27.4111  -17.3437
            4   C1y C    28.1287  -19.4397
            5   C8y C    28.4246  -15.2285
            6   C8x C    30.8103  -15.2285
            7   C1y C    26.3158  -18.1305
            8   C1y C    26.7627  -19.4397
            9   O1a O    28.9406  -20.5476
            10  N4x N    28.4246  -13.8437
            11  O5x O    27.2348  -15.9021
            12  C8x C    30.8103  -13.8437
            13  C1b C    25.0128  -17.7150
            14  O1a O    25.9571  -20.5539
            15  C8y C    29.6079  -13.1577
            16  O2b O    24.7233  -16.3806
            17  O5x O    29.6079  -11.9954
            18  P1b P    23.3511  -16.3742
            19  O2c O    21.9787  -16.3742
            20  O1c O    23.3511  -14.9382
            21  O3b O    23.4147  -17.7464
            22  P1b P    20.6129  -16.3742
            23  O2b O    19.2343  -16.3680
            24  O1c O    20.6129  -14.9382
            25  O3b O    20.6129  -17.7464
            26  C1y C    18.0509  -17.0540
            27  O2x O    16.8548  -16.3680
            28  C1y C    18.0509  -18.4264
            29  C1y C    15.6652  -17.0540
            30  C1y C    16.8548  -19.1062
            31  O1a O    19.2343  -19.1062
            32  C1y C    15.6652  -18.4264
            33  C1b C    14.4943  -16.3680
            34  O1a O    16.8548  -20.4722
            35  O1a O    14.4943  -19.1062
            36  O1a O    13.4495  -17.2555
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1 #Up
            34   32  35 1 #Up
            35   33  36 1
            36    7   8 1
            37   12  15 1
            38   30  32 1


entry: C00053
formula: C10H15N5O13P2S
name:
--- 
- 3'-Phosphoadenylyl sulfate
- 3'-Phosphoadenosine 5'-phosphosulfate
- 3'-Phospho-5'-adenylyl sulfate
- PAPS

kcf:
ATOM        31
            1   N4y N     2.2172    0.9345
            2   C1y C     1.7414   -0.3207
            3   C8y C     1.5035    1.1690
            4   C8x C     2.6552    1.5448
            5   C1y C     1.5138   -1.0241
            6   O2x O     1.1207    0.1276
            7   C8y C     1.5069    1.9172
            8   N5x N     0.8448    0.7931
            9   N5x N     2.2207    2.1414
            10  C1y C     0.7517   -1.0241
            11  O1a O     1.9586   -1.6276
            12  C1y C     0.5138   -0.3103
            13  C8y C     0.8552    2.3034
            14  C8x C     0.2103    1.2034
            15  O2b O     0.3207   -1.6345
            16  C1b C    -0.2000   -0.0897
            17  N5x N     0.1966    1.9276
            18  N1a N     0.8586    3.0517
            19  P1b P     0.3207   -2.3828
            20  O2b O    -0.9517   -0.0897
            21  O1c O     0.3207   -3.1345
            22  O1c O     1.0690   -2.3828
            23  O3b O    -0.4310   -2.3828
            24  P1b P    -1.7000   -0.0897
            25  O2b O    -2.4517   -0.0897
            26  O1c O    -1.7000   -0.8379
            27  O3b O    -1.7000    0.6621
            28  S4a S    -3.2000   -0.0897
            29  O1d O    -3.2000   -0.8379
            30  O3c O    -3.9517   -0.0897
            31  O3c O    -3.2000    0.6621
BOND        33
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 2
            30   28  31 2
            31    7   9 1
            32   10  12 1
            33   14  17 1


entry: C00054
name: --- - Adenosine 3',5'-bisphosphate - PAP - 3'-Phosphoadenylate - Phosphoadenosine phosphate
formula: C10H15N5O10P2
kcf:
ATOM        27
            1   N4y N     1.5621    0.8793
            2   C1y C     1.5000   -0.5172
            3   C8y C     0.8448    1.1069
            4   C8x C     2.0035    1.4828
            5   C1y C     1.2759   -1.2207
            6   O2x O     0.8828   -0.0690
            7   C8y C     0.8448    1.8655
            8   N5x N     0.1862    0.7241
            9   N5x N     1.5655    2.1000
            10  C1y C     0.5138   -1.2207
            11  O1a O     1.7172   -1.8241
            12  C1y C     0.2759   -0.5069
            13  C8y C     0.1862    2.2414
            14  C8x C    -0.4655    1.1069
            15  O2b O     0.0828   -1.8310
            16  C1b C    -0.4724    0.1310
            17  N5x N    -0.4655    1.8655
            18  N1a N     0.1828    2.9897
            19  P1b P    -0.6690   -1.8310
            20  O2b O    -1.0103   -0.3966
            21  O1c O    -1.4138   -1.8310
            22  O1c O    -0.6724   -2.5793
            23  O3b O    -0.6690   -1.0793
            24  P1b P    -1.7586   -0.3966
            25  O1c O    -2.5069   -0.4000
            26  O1c O    -1.7621   -1.1483
            27  O3b O    -1.7621    0.3517
BOND        29
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27    7   9 1
            28   10  12 1
            29   14  17 1


entry: C00055
name: --- - CMP - Cytidine-5'-monophosphate - Cytidylic acid
formula: C9H14N3O8P
kcf:
ATOM        21
            1   C1y C     0.5000    0.1138
            2   N4y N     1.2931    0.3759
            3   O2x O    -0.1414    0.5897
            4   C1y C     0.2586   -0.6966
            5   C8y C     1.9138   -0.1759
            6   C8x C     1.4655    1.1828
            7   C1y C    -0.8172    0.0966
            8   C1y C    -0.5690   -0.6966
            9   O1a O     0.7448   -1.3621
            10  N5x N     2.7034    0.0828
            11  O5x O     1.7483   -0.9862
            12  C8x C     2.2483    1.4483
            13  C1b C    -1.6069    0.3517
            14  O1a O    -1.0621   -1.3586
            15  C8y C     2.8724    0.8966
            16  O2b O    -2.2172   -0.2034
            17  N1a N     3.6586    1.1517
            18  P1b P    -3.0414   -0.2034
            19  O1c O    -3.0448   -1.0276
            20  O1c O    -3.8655   -0.2034
            21  O3b O    -3.0448    0.6207
BOND        22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21    7   8 1
            22   12  15 1


entry: C00058
name: --- - Formate - Methanoic acid - Formic acid
formula: CH2O2
kcf:
ATOM        3
            1   C4a C     0.2483   -0.0828
            2   O1a O    -0.4966   -0.5828
            3   O4a O     0.2483    0.6690
BOND        2
            1     1   2 1
            2     1   3 2


entry: C00059
name: --- - Sulfate - Sulfuric acid
formula: H2SO4
kcf:
ATOM        5
            1   S4a S    26.2220  -16.7000
            2   O3c O    26.2220  -15.3000
            3   O3c O    26.2220  -18.1000
            4   O1d O    24.8219  -16.7000
            5   O1d O    27.6219  -16.7000
BOND        4
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1


entry: C00060
name: --- - Carboxylate - R-COOH - Monocarboxylate - Carboxylic acid
formula: CO2R
kcf:
ATOM        4
            1   C6a C     0.0000    0.0000
            2   O6a O     0.7103    0.4138
            3   R   R    -0.7138    0.4138
            4   O0  O     0.0000   -0.8276 #-
BOND        3
            1     1   2 2
            2     1   3 1
            3     1   4 1


entry: C00061
name: --- - FMN - Riboflavin-5-phosphate - Flavin mononucleotide
formula: C17H21N4O9P
kcf:
ATOM        31
            1   N4y N     0.2069   -0.7379
            2   C8y C    -0.4517   -1.1241
            3   C8y C     0.8690   -1.1207
            4   C1b C     0.2034    0.0103
            5   C8y C    -0.4517   -1.8828
            6   C8x C    -1.1069   -0.7483
            7   C8y C     0.8759   -1.8862
            8   N5x N     1.5310   -0.7241
            9   C1c C    -0.6345    0.6517
            10  N5x N     0.2138   -2.2621
            11  C8x C    -1.1069   -2.2655
            12  C8y C    -1.7586   -1.1241
            13  C8y C     1.5483   -2.2655
            14  C8y C     2.2034   -1.1035
            15  C1c C    -0.6379    1.4069
            16  O1a O    -1.3862    0.6552
            17  C8y C    -1.7586   -1.8828
            18  C1a C    -2.4069   -0.7483
            19  N4x N     2.2138   -1.8793
            20  O5x O     1.5517   -3.0138
            21  O5x O     2.8483   -0.7241
            22  C1c C    -0.6379    2.1552
            23  O1a O    -1.3862    1.4069
            24  C1a C    -2.4103   -2.2552
            25  C1b C    -0.6379    2.9069
            26  O1a O    -1.3862    2.1552
            27  O2b O     0.0138    3.2793
            28  P1b P     0.7793    3.2793
            29  O1c O     1.5241    3.2793
            30  O1c O     0.7793    2.5310
            31  O3b O     0.7966    4.0310
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   11  17 2
            17   12  18 1
            18   13  19 1
            19   13  20 2
            20   14  21 2
            21   15  22 1
            22   15  23 1
            23   17  24 1
            24   22  25 1
            25   22  26 1
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    7  10 2
            32   12  17 1
            33   14  19 1


entry: C00062
name: --- - L-Arginine - (S)-2-Amino-5-guanidinovaleric acid
formula: C6H14N4O2
kcf:
ATOM        12
            1   C1b C    24.1085  -18.0306
            2   C1b C    25.3110  -18.7488
            3   C1c C    22.8766  -18.7137
            4   C1b C    26.5369  -18.0657
            5   C6a C    21.7324  -17.9664
            6   N1a N    22.9232  -20.1148
            7   N1b N    27.7453  -18.7779
            8   O6a O    20.5065  -18.6494
            9   O6a O    21.6856  -16.5596
            10  C2c C    28.9714  -18.1007
            11  N1a N    30.1739  -18.8129
            12  N2a N    28.9888  -16.6938
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 1
            11   10  12 2


entry: C00063
name: --- - CTP - Cytidine 5'-triphosphate - Cytidine triphosphate
formula: C9H16N3O14P3
kcf:
ATOM        29
            1   C1y C     2.0793    0.1690
            2   N4y N     2.8724    0.4310
            3   O2x O     1.4345    0.6448
            4   C1y C     1.8379   -0.6414
            5   C8y C     3.4931   -0.1207
            6   C8x C     3.0448    1.2379
            7   C1y C     0.7621    0.1483
            8   C1y C     1.0103   -0.6414
            9   O1a O     2.3241   -1.3069
            10  N5x N     4.2828    0.1379
            11  O5x O     3.3276   -0.9310
            12  C8x C     3.8276    1.5035
            13  C1b C    -0.0276    0.4034
            14  O1a O     0.5172   -1.3035
            15  C8y C     4.4517    0.9517
            16  O2b O    -0.6379   -0.1483
            17  N1a N     5.2379    1.2069
            18  P1b P    -1.4621   -0.1483
            19  O2c O    -2.2862   -0.1483
            20  O1c O    -1.4655   -0.9759
            21  O3b O    -1.4655    0.6759
            22  P1b P    -3.1138   -0.1448
            23  O2c O    -3.9379   -0.1448
            24  O1c O    -3.1172   -0.9690
            25  O3b O    -3.1172    0.6793
            26  P1b P    -4.7621   -0.1414
            27  O1c O    -4.7655   -0.9655
            28  O1c O    -5.5862   -0.1379
            29  O3b O    -4.7655    0.6828
BOND        30
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   26  29 2
            29    7   8 1
            30   12  15 1


entry: C00064
name: --- - L-Glutamine - L-2-Aminoglutaramic acid
formula: C5H10N2O3
kcf:
ATOM        10
            1   C1c C    23.8378  -17.4606
            2   C1b C    25.0254  -16.7178
            3   C6a C    22.6035  -16.7995
            4   N1a N    23.8787  -18.8587
            5   C1b C    26.2597  -17.3787
            6   O6a O    21.4451  -17.5952
            7   O6a O    22.6209  -15.4015
            8   C5a C    27.4472  -16.6416
            9   N1a N    28.6814  -17.3027
            10  O5a O    27.4704  -15.2435
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 2


entry: C00065
name: --- - L-Serine - L-2-Amino-3-hydroxypropionic acid - L-3-Hydroxy-alanine
formula: C3H7NO3
kcf:
ATOM        7
            1   C1c C    23.5961  -17.5357
            2   C6a C    22.4445  -16.7873
            3   C1b C    24.8238  -16.8518
            4   N1a N    23.6370  -18.9388
            5   O6a O    21.2226  -17.4714
            6   O6a O    22.4677  -15.3785
            7   O1a O    26.0339  -17.5708
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2
            6     3   7 1


entry: C00066
name: --- - tRNA - tRNA(n) - tRNA(n+1) - transfer RNA
formula: C10H17O10PR2(C5H8O6PR)n
kcf:
ATOM        36
            1   C1y C     0.1552   -0.2448
            2   C1y C    -0.0897    0.5069
            3   C1y C     0.9621   -0.2448
            4   O2b O    -0.4000   -1.2724
            5   O2x O     0.5414    0.9690
            6   C1b C    -0.4724    1.3069
            7   C1y C     1.1931    0.4931
            8   O1a O     1.4310   -0.8828
            9   P1b P    -0.4000   -2.0621
            10  O2b O    -1.2621    1.3069
            11  R   R     1.9517    0.7379
            12  O2b O     1.1759   -2.0724
            13  O1c O    -0.4000   -2.8552
            14  O3b O    -1.1931   -2.0621
            15  P1b P    -2.5759    1.3069
            16  C1b C     2.2966   -2.0724
            17  O2b O    -2.5759    2.0931
            18  O1c O    -2.5759    0.5138
            19  O3b O    -3.3621    1.3069
            20  C1y C     2.8379   -2.8621
            21  C1y C    -2.5724    2.8828
            22  C1y C     3.0828   -3.6172
            23  O2x O     3.4724   -2.4035
            24  C1y C    -2.8207    3.6345
            25  C1y C    -1.7655    2.8828
            26  C1y C     3.8897   -3.6172
            27  O1a O     2.5379   -4.4690
            28  C1y C     4.1172   -2.8759
            29  O2x O    -2.1828    4.1000
            30  C1b C    -3.3069    4.3069
            31  C1y C    -1.5379    3.6241
            32  O1a O    -1.2966    2.2448
            33  O1a O     4.3552   -4.2483
            34  R   R     4.8759   -2.6345
            35  O1a O    -4.0966    3.9000
            36  R   R    -0.7793    3.8655
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1 #Up
            11    9  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 2
            19   20  16 1 #Up
            20   21  17 1 #Down
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Down
            27   23  28 1
            28   24  29 1
            29   24  30 1 #Up
            30   25  31 1
            31   25  32 1 #Down
            32   26  33 1 #Down
            33   28  34 1 #Up
            34   30  35 1
            35   31  36 1 #Up
            36    5   7 1
            37   26  28 1
            38   29  31 1


entry: C00067
name: --- - Formaldehyde - Methanal - Oxomethane - Oxomethylene - Methylene oxide - Formalin
formula: CH2O
kcf:
ATOM        2
            1   C2a C    22.8200  -16.1763
            2   O0  O    21.4200  -16.1637
BOND        1
            1     1   2 2


entry: C00068
name: --- - Thiamin diphosphate - Thiamine diphosphate - Thiamin pyrophosphate - TPP - ThPP
formula: C12H19N4O7P2S
kcf:
ATOM        26
            1   N5y N    -1.3586    0.2966 #+
            2   C8y C    -0.7759   -0.2897
            3   C1b C    -2.0724    0.7069
            4   C8x C    -0.9759    1.0345
            5   C8y C    -0.0379    0.0828
            6   C1a C    -0.9069   -1.1035
            7   C8y C    -2.7862    0.2931
            8   S2x S    -0.1621    0.9000
            9   C1b C     0.6966   -0.2931
            10  C8y C    -2.7862   -0.5345
            11  C8x C    -3.5103    0.7069
            12  C1b C     1.3897    0.1517
            13  N5x N    -3.5103   -0.9586
            14  N1a N    -2.0724   -0.9517
            15  N5x N    -4.2241    0.2931
            16  O2b O     2.1241   -0.2241
            17  C8y C    -4.2241   -0.5345
            18  P1b P     2.8172    0.2207
            19  C1a C    -4.9379   -0.9483
            20  O2c O     3.5483   -0.1552
            21  O1c O     3.0690   -0.5655
            22  O3b O     2.7759    1.0448
            23  P1b P     4.2448    0.2897
            24  O1c O     4.9759   -0.0862
            25  O1c O     4.4966   -0.4931
            26  O3b O     4.2034    1.1138
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   13  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   18  22 2
            22   20  23 1
            23   23  24 1
            24   23  25 1
            25   23  26 2
            26    5   8 1
            27   15  17 1


entry: C00069
name: --- - Alcohol
formula: HOR
kcf:
ATOM        2
            1   O1a O     0.3586    0.2034
            2   R   R    -0.3586   -0.2034
BOND        1
            1     1   2 1


entry: C00071
name: --- - Aldehyde - RCHO
formula: CHOR
kcf:
ATOM        3
            1   C4a C    22.1200  -16.5003
            2   O4a O    23.3312  -15.7981
            3   R   R    20.9088  -15.7981
BOND        2
            1     1   2 2
            2     1   3 1


entry: C00072
name: --- - Ascorbate - Ascorbic acid - L-Ascorbate - L-Ascorbic acid - Vitamin C
formula: C6H8O6
kcf:
ATOM        12
            1   C1y C    27.6131  -18.0776
            2   C2y C    28.0612  -19.3988
            3   O7x O    28.7480  -17.2626
            4   C2y C    29.4640  -19.3988
            5   C7x C    29.8831  -18.0950
            6   O1a O    30.2963  -20.5281
            7   O7x O    30.8668  -17.0997
            8   C1c C    26.4054  -17.3804
            9   C1b C    25.1976  -18.0776
            10  O1a O    27.2453  -20.5374
            11  O1a O    26.4051  -15.9691
            12  O1a O    23.9640  -17.3655
BOND        12
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     4   5 1
            8     1   8 1 #Up
            9     8   9 1
            10    2  10 1
            11    8  11 1
            12    9  12 1


entry: C00073
name: --- - L-Methionine - L-2-Amino-4methylthiobutyric acid
formula: C5H11NO2S
kcf:
ATOM        9
            1   C1c C    24.5047  -19.4197
            2   C6a C    23.3598  -18.6719
            3   C1b C    25.7313  -18.7361
            4   N1a N    24.5455  -20.8273
            5   O6a O    22.1332  -19.3553
            6   O6a O    23.3772  -17.2641
            7   C1b C    26.9405  -19.4546
            8   S2a S    28.1672  -18.7712
            9   C1a C    29.3647  -19.4896
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     7   8 1
            8     8   9 1


entry: C00074
name: --- - Phosphoenolpyruvate - Phosphoenolpyruvic acid - PEP
formula: C3H5O6P
kcf:
ATOM        10
            1   P1b P    23.3383  -16.8664
            2   O2b O    21.9421  -16.8599
            3   O1c O    24.6773  -16.8664
            4   O1c O    23.3254  -18.4090
            5   O3b O    23.3254  -15.4003
            6   C2c C    20.7261  -16.1716
            7   C6a C    20.7261  -14.7689
            8   C2a C    19.5165  -16.8664
            9   O6a O    21.9421  -14.0741
            10  O6a O    19.5102  -14.0741
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     7  10 2


entry: C00075
name: --- - UTP - Uridine 5'-triphosphate - Uridine triphosphate
formula: C9H15N2O15P3
kcf:
ATOM        29
            1   C1y C     2.0690    0.1793
            2   N4y N     2.8586    0.4379
            3   O2x O     1.4241    0.6517
            4   C1y C     1.8276   -0.6310
            5   C8y C     3.4828   -0.1138
            6   C8x C     3.0345    1.2483
            7   C1y C     0.7517    0.1586
            8   C1y C     0.9966   -0.6310
            9   O1a O     2.3138   -1.2966
            10  N4x N     4.2724    0.1483
            11  O5x O     3.3172   -0.9207
            12  C8x C     3.8138    1.5138
            13  C1b C    -0.0379    0.4138
            14  O1a O     0.5069   -1.2931
            15  C8y C     4.4414    0.9586
            16  O2b O    -0.6241   -0.1621
            17  O5x O     5.2276    1.2172
            18  P1b P    -1.4483   -0.1621
            19  O2c O    -2.2724   -0.1621
            20  O1c O    -1.4517   -0.9862
            21  O3b O    -1.4517    0.6621
            22  P1b P    -3.1000   -0.1586
            23  O2c O    -3.9241   -0.1586
            24  O1c O    -3.1034   -0.9828
            25  O3b O    -3.1034    0.6690
            26  P1b P    -4.7483   -0.1517
            27  O1c O    -4.7517   -0.9793
            28  O1c O    -5.5724   -0.1483
            29  O3b O    -4.7517    0.6724
BOND        30
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   26  29 2
            29    7   8 1
            30   12  15 1


entry: C00077
formula: C5H12N2O2
name:
--- 
- L-Ornithine
- (S)-2,5-Diaminovaleric acid
- (S)-2,5-Diaminopentanoic acid
- (S)-2,5-Diaminopentanoate

kcf:
ATOM        9
            1   C1c C    -0.4793   -0.1828
            2   C6a C    -1.1966    0.2276
            3   C1b C     0.2379    0.2276
            4   N1a N    -0.4793   -1.0138
            5   O6a O    -1.9172   -0.1828
            6   O6a O    -1.1966    1.0586
            7   C1b C     0.9586   -0.1828
            8   C1b C     1.6759    0.2276
            9   N1a N     2.3966   -0.1828
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     7   8 1
            8     8   9 1


entry: C00078
name: --- - L-Tryptophan - Tryptophan - (S)-alpha-Amino-beta-(3-indolyl)-propionic acid
formula: C11H12N2O2
kcf:
ATOM        15
            1   C8y C    24.6224  -17.1326
            2   C8y C    22.2950  -17.1617
            3   C8y C    24.6399  -18.4682
            4   C8x C    25.7656  -16.4560
            5   C1b C    21.1400  -16.4851
            6   C8x C    22.3125  -18.5033
            7   N4x N    23.4791  -19.1565
            8   C8x C    25.8006  -19.1215
            9   C8x C    26.9263  -17.1033
            10  C1c C    19.9736  -17.1617
            11  C8x C    26.9439  -18.4391
            12  C6a C    18.8128  -16.4851
            13  N1a N    19.9736  -18.5033
            14  O6a O    17.6521  -17.1617
            15  O6a O    18.8128  -15.1493
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    8  11 2
            11   10  12 1
            12   10  13 1 #Down
            13   12  14 1
            14   12  15 2
            15    6   7 1
            16    9  11 1


entry: C00079
name: --- - L-Phenylalanine - (S)-alpha-Amino-beta-phenylpropionic acid
formula: C9H11NO2
kcf:
ATOM        12
            1   C8y C    25.7713  -19.2102
            2   C8x C    25.7713  -20.6151
            3   C8x C    26.9880  -21.3176
            4   C8x C    28.2047  -20.6151
            5   C8x C    28.2047  -19.2102
            6   C8x C    26.9880  -18.5078
            7   C1b C    24.5547  -18.5078
            8   C1c C    23.3550  -19.2006
            9   C6a C    22.1634  -18.5127
            10  O6a O    20.9680  -19.2031
            11  O6a O    22.1632  -17.1031
            12  N1a N    23.3549  -20.6148
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12    8  12 1 #Down


entry: C00081
name: --- - ITP - Inosine 5'-triphosphate - Inosine triphosphate - Inosine tripolyphosphate
formula: C10H15N4O14P3
kcf:
ATOM        31
            1   N4y N    28.6360  -15.8923
            2   C8y C    27.3157  -15.4691
            3   C1y C    27.5998  -17.9139
            4   C8x C    29.4444  -14.7869
            5   C8y C    27.3157  -14.0794
            6   N5x N    26.1153  -16.1766
            7   O2x O    26.4691  -17.0800
            8   C1y C    27.1830  -19.1963
            9   N5x N    28.6422  -13.6560
            10  C8y C    26.1153  -13.3971
            11  C8x C    24.9214  -15.4691
            12  C1y C    25.3510  -17.8822
            13  C1y C    25.7869  -19.1963
            14  O1a O    27.9979  -20.3082
            15  N4x N    24.9214  -14.0794
            16  O5x O    26.1091  -12.1599
            17  C1b C    24.0560  -17.4779
            18  O1a O    25.0035  -20.3208
            19  O2b O    23.0325  -18.0845
            20  P1b P    21.6554  -18.0845
            21  O2c O    20.2783  -18.0845
            22  O1c O    21.6554  -16.5674
            23  O3b O    21.6491  -19.4554
            24  P1b P    18.9074  -18.0845
            25  O2c O    17.5303  -18.0845
            26  O1c O    18.9074  -16.5674
            27  O3b O    18.9074  -19.4554
            28  P1b P    16.1594  -18.0845
            29  O1c O    14.7823  -18.0845
            30  O1c O    16.1594  -16.5674
            31  O3b O    16.1594  -19.4554
BOND        33
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    5   9 1
            32   11  15 1
            33   12  13 1


entry: C00082
name: --- - L-Tyrosine - (S)-3-(p-Hydroxyphenyl)alanine - (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
formula: C9H11NO3
kcf:
ATOM        13
            1   C8y C    22.8608  -17.1713
            2   C8x C    22.8608  -18.5742
            3   C8x C    24.0756  -19.2756
            4   C8y C    25.2906  -18.5742
            5   C8x C    25.2906  -17.1713
            6   C8x C    24.0756  -16.4699
            7   C1b C    21.6459  -16.4699
            8   O1a O    26.5242  -19.2866
            9   C1c C    20.4479  -17.1617
            10  C6a C    19.2581  -16.4748
            11  O6a O    18.0645  -17.1642
            12  O6a O    19.2579  -15.0672
            13  N1a N    20.4478  -18.5739
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     4   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 1 #Down


entry: C00083
name: --- - Malonyl-CoA - Malonyl coenzyme A
formula: C24H38N7O19P3S
kcf:
ATOM        54
            1   N4y N     0.6931    3.1172
            2   C1y C     0.4207    1.3621
            3   C8y C    -0.6069    3.1172
            4   C8x C     0.7034    3.8759
            5   O2x O    -0.2000    1.8103
            6   C1y C     0.1931    0.6586
            7   C8y C    -0.6069    3.8759
            8   N5x N    -1.2655    2.7310
            9   N5x N     0.0483    4.2552
            10  C1y C    -0.8103    1.3724
            11  C1y C    -0.5724    0.6586
            12  O1a O     0.6345    0.0517
            13  C8y C    -1.2655    4.2483
            14  C8x C    -1.9172    3.1172
            15  C1b C    -1.5138    1.5931
            16  O2b O    -0.9552    0.1207
            17  N5x N    -1.9172    3.8759
            18  N1a N    -1.2690    5.0000
            19  O2b O    -2.5379    1.1103
            20  P1b P    -1.7552    0.1276
            21  P1b P    -3.7345    1.0966
            22  O1c O    -1.6965    0.8379
            23  O1c O    -2.4862    0.1069
            24  O3b O    -1.7586   -0.6276
            25  O2c O    -3.7345   -0.4897
            26  O1c O    -3.7448    1.8310
            27  O3b O    -4.4897    1.1103
            28  P1b P    -3.7310   -2.0207
            29  O2b O    -2.8966   -2.0207
            30  O1c O    -3.7448   -2.9069
            31  O3b O    -4.4276   -2.0241
            32  C1b C    -2.3034   -1.6310
            33  C1d C    -1.6517   -2.0069
            34  C1c C    -1.0035   -1.6310
            35  C1a C    -1.6655   -2.5931
            36  C1a C    -1.6655   -1.1241
            37  C5a C    -0.3552   -2.0069
            38  O1a O    -1.0035   -0.8828
            39  N1b N     0.2966   -1.6310
            40  O5a O    -0.3552   -2.7552
            41  C1b C     0.9448   -2.0069
            42  C1b C     1.5931   -1.6310
            43  C5a C     2.2448   -2.0069
            44  N1b N     2.8931   -1.6310
            45  O5a O     2.2448   -2.7552
            46  C1b C     3.5414   -2.0069
            47  C1b C     4.1931   -1.6310
            48  S2a S     4.8414   -2.0069
            49  C5a C     5.4931   -1.6310
            50  C1b C     6.1414   -2.0069
            51  O5a O     5.4931   -0.8793
            52  C6a C     6.7897   -1.6310
            53  O6a O     7.4379   -2.0069
            54  O6a O     6.7897   -0.8793
BOND        56
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53   52  54 2
            54    7   9 1
            55   10  11 1
            56   14  17 1


entry: C00084
name: --- - Acetaldehyde - Ethanal
formula: C2H4O
kcf:
ATOM        3
            1   C4a C     0.0000    0.2517
            2   C1a C    -0.6483   -0.1241
            3   O4a O     0.6483   -0.1241
BOND        2
            1     1   2 1
            2     1   3 2


entry: C00085
name: --- - D-Fructose 6-phosphate - D-Fructose 6-phosphoric acid - Neuberg ester
formula: C6H13O9P
kcf:
ATOM        16
            1   C1y C    -0.0103    0.3241
            2   O2x O     0.6552    0.8034
            3   C1y C     0.2552   -0.4586
            4   C1b C    -0.8000    0.5724
            5   C1z C     1.3448    0.3069
            6   C1y C     1.0931   -0.4586
            7   O1a O    -0.2241   -1.1379
            8   O2b O    -1.2966   -0.0931
            9   C1b C     1.9241    0.9000
            10  O1a O     2.1000    0.0310
            11  O1a O     1.5793   -1.1345
            12  P1b P    -2.1276   -0.0897
            13  O1a O     2.7207    0.6931
            14  O1c O    -2.9517   -0.0828
            15  O1c O    -2.1310   -0.9138
            16  O3b O    -2.1310    0.7379
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1 #Either
            9     5  10 1
            10    6  11 1 #Up
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   12  16 2
            16    5   6 1


entry: C00086
name: --- - Urea - Carbamide
formula: CH4N2O
kcf:
ATOM        4
            1   C5a C    24.8500  -19.0400
            2   N1a N    23.6383  -19.7424
            3   N1a N    26.0617  -19.7424
            4   O5a O    24.8500  -17.6411
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: C00088
name: --- - Nitrite
formula: HNO2
kcf:
ATOM        3
            1   N2b N    22.0183  -16.5631
            2   O1b O    20.7469  -15.8076
            3   O3a O    23.3848  -15.7838
BOND        2
            1     1   2 1
            2     1   3 2


entry: C00089
name: --- - Sucrose - Cane sugar - Saccharose - 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside
formula: C12H22O11
kcf:
ATOM        23
            1   C1z C    27.5095  -14.6890
            2   O2a O    26.4715  -15.6160
            3   O2x O    28.6757  -13.8492
            4   C1y C    27.9351  -15.9892
            5   C1b C    26.5299  -13.6918
            6   C1y C    25.2645  -16.3158
            7   C1y C    29.8012  -14.6656
            8   C1y C    29.3521  -15.9892
            9   O1a O    27.1130  -17.1263
            10  O1a O    25.2528  -14.2748
            11  O2x O    24.0400  -15.6160
            12  C1y C    25.2645  -17.7153
            13  C1b C    31.1365  -14.2457
            14  O1a O    30.1628  -17.1322
            15  C1y C    22.8387  -16.3217
            16  C1y C    24.0400  -18.4150
            17  O1a O    26.4656  -18.4150
            18  O1a O    31.9762  -15.3711
            19  C1y C    22.8387  -17.7153
            20  C1b C    21.6259  -15.6160
            21  O1a O    24.0400  -19.8145
            22  O1a O    21.6259  -18.4150
            23  O1a O    20.5586  -16.5258
BOND        24
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Down
            13    8  14 1 #Up
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 1
            19   15  20 1 #Up
            20   16  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    7   8 1
            24   16  19 1


entry: C00090
formula: C6H6O2
name:
--- 
- Catechol
- 1,2-Benzenediol
- o-Benzenediol
- 1,2-Dihydroxybenzene
- Brenzcatechin
- Pyrocatechol

kcf:
ATOM        8
            1   C8y C     0.4931    0.0966
            2   C8y C    -0.1655    0.4724
            3   C8x C     0.4931   -0.6621
            4   O1a O     1.1414    0.4759
            5   C8x C    -0.8138    0.0966
            6   O1a O    -0.1655    1.2241
            7   C8x C    -0.1655   -1.0448
            8   C8x C    -0.8138   -0.6621
BOND        8
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   8 2


entry: C00091
name: --- - Succinyl-CoA - Succinyl coenzyme A
formula: C25H40N7O19P3S
kcf:
ATOM        55
            1   N4y N     0.4931    2.2345
            2   C1y C    -0.3552    1.6586
            3   C8y C     1.7759    2.2345
            4   C8x C     0.4931    2.9759
            5   C1y C    -0.5793    0.9724
            6   O2x O    -0.9621    2.0966
            7   C8y C     1.7759    2.9759
            8   N5x N     2.4069    1.8621
            9   N5x N     1.1345    3.3483
            10  C1y C    -1.3241    0.9724
            11  O1a O    -0.1483    0.3793
            12  C1y C    -1.5586    1.6690
            13  C8y C     2.4069    3.3414
            14  C8x C     3.0517    2.2345
            15  O2b O    -1.7517    0.3793
            16  C1b C    -2.2414    1.8862
            17  N5x N     3.0517    2.9759
            18  N1a N     2.4069    4.0724
            19  P1b P    -2.4793    0.4517
            20  O2b O    -3.2448    1.4138
            21  O1c O    -2.4207    1.1483
            22  O1c O    -3.1931    0.4345
            23  O3b O    -2.4828   -0.2828
            24  P1b P    -4.4103    1.4000
            25  O2c O    -4.4103   -0.1310
            26  O1c O    -4.4207    2.1138
            27  O3b O    -5.0966    1.3966
            28  P1b P    -4.4103   -1.7517
            29  O2b O    -3.6483   -1.7379
            30  O1c O    -4.4241   -2.6345
            31  O3b O    -5.1552   -1.7552
            32  C1b C    -3.0172   -1.3724
            33  C1d C    -2.3828   -1.7379
            34  C1c C    -1.7517   -1.3724
            35  C1a C    -2.3828   -2.4690
            36  C1a C    -2.3931   -0.9276
            37  C5a C    -1.1172   -1.7379
            38  O1a O    -1.7517   -0.6414
            39  N1b N    -0.4828   -1.3724
            40  O5a O    -1.1172   -2.4690
            41  C1b C     0.1517   -1.7379
            42  C1b C     0.7862   -1.3724
            43  C5a C     1.4172   -1.7379
            44  N1b N     2.0517   -1.3724
            45  O5a O     1.4172   -2.4690
            46  C1b C     2.6862   -1.7379
            47  C1b C     3.3207   -1.3724
            48  S2a S     3.9517   -1.7379
            49  C5a C     4.5862   -1.3724
            50  C1b C     5.2207   -1.7379
            51  O5a O     4.5862   -0.6379
            52  C1b C     5.8552   -1.3724
            53  C6a C     6.4897   -1.7379
            54  O6a O     6.4862   -2.4690
            55  O6a O     7.1207   -1.3690
BOND        57
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53   53  54 1
            54   53  55 2
            55    7   9 1
            56   10  12 1
            57   14  17 1


entry: C00092
name: --- - D-Glucose 6-phosphate - Glucose 6-phosphate - Robison ester
formula: C6H13O9P
kcf:
ATOM        16
            1   P1b P    19.3430  -14.1341
            2   O2b O    20.7322  -14.1341
            3   O1c O    17.9537  -14.1240
            4   O1c O    19.3227  -15.5132
            5   O3b O    19.3227  -12.7450
            6   C1b C    21.2728  -15.4022
            7   C1y C    22.7023  -16.1750
            8   C1y C    22.7176  -17.5492
            9   O2x O    23.8997  -15.4728
            10  C1y C    23.9249  -18.2361
            11  O1a O    21.5355  -18.2614
            12  C1y C    25.1121  -16.1498
            13  C1y C    25.1221  -17.5339
            14  O1a O    23.9350  -19.6904
            15  O1a O    26.3042  -15.4476
            16  O1a O    26.3295  -18.2210
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     7   6 1 #Up
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 1 #Down
            11    9  12 1
            12   10  13 1
            13   10  14 1 #Up
            14   12  15 1 #Either
            15   13  16 1 #Down
            16   12  13 1


entry: C00093
name: --- - sn-Glycerol 3-phosphate - Glycerophosphoric acid - sn-Gro-1-P - Glycerol-3-phosphate
formula: C3H9O6P
kcf:
ATOM        10
            1   P1b P     9.9288   -8.7944
            2   O2b O     9.9288   -9.5426
            3   O1c O     9.9253   -8.0393
            4   O1c O     9.1806   -8.7772
            5   O3b O    10.6845   -8.7909
            6   C1b C     9.0978   -9.9169
            7   C1c C     8.2669   -9.5087
            8   C1b C     7.4740   -9.8790
            9   O1a O     8.2194   -8.7427
            10  O1a O     6.6397   -9.4432
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1 #Up
            9     8  10 1


entry: C00094
name: --- - Sulfite
formula: H2SO3
kcf:
ATOM        4
            1   S4a S     4.9250  -12.0541
            2   O1d O     5.6422  -11.6403
            3   O1d O     4.9250  -12.8782
            4   O3c O     4.2078  -11.6403
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: C00095
name: --- - D-Fructose - Levulose - Fruit sugar - D-arabino-Hexulose
formula: C6H12O6
kcf:
ATOM        12
            1   C1z C    23.3627  -14.9099
            2   C1y C    22.9367  -16.2051
            3   O2x O    22.2017  -14.0699
            4   C1b C    24.3427  -13.9064
            5   O1a O    24.6461  -15.3767
            6   C1y C    21.5250  -16.2051
            7   O1a O    23.7592  -17.3485
            8   C1y C    21.0699  -14.8808
            9   O1a O    25.6204  -14.4957
            10  O1a O    20.7082  -17.3544
            11  C1b C    19.7338  -14.4607
            12  O1a O    18.8938  -15.5866
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Either
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     6  10 1 #Down
            10    8  11 1 #Up
            11   11  12 1
            12    6   8 1


entry: C00096
name: --- - GDP-mannose - GDP-D-mannose
formula: C16H25N5O16P2
kcf:
ATOM        39
            1   N4y N     3.4345    1.3000
            2   C8y C     2.7138    1.5310
            3   C1y C     3.4310   -0.1931
            4   C8x C     3.8759    1.9035
            5   C8y C     2.7138    2.2862
            6   N5x N     2.0586    1.1448
            7   O2x O     2.8103    0.2552
            8   C1y C     3.2034   -0.9000
            9   N5x N     3.4379    2.5207
            10  C8y C     2.0586    2.6621
            11  C8y C     1.4069    1.5310
            12  C1y C     2.2069   -0.1828
            13  C1y C     2.4517   -0.9000
            14  O1a O     3.6483   -1.5035
            15  N4x N     1.4069    2.2862
            16  O5x O     2.0552    3.4138
            17  N1a N     0.7552    1.1586
            18  C1b C     1.4931    0.0448
            19  O1a O     2.0207   -1.5103
            20  O2b O     0.8414   -0.3241
            21  P1b P     0.0897   -0.3241
            22  O2c O    -0.6586   -0.3241
            23  O1c O     0.0828   -1.1552
            24  O3b O     0.0966    0.4241
            25  P1b P    -1.4103   -0.3241
            26  O2b O    -2.1586   -0.3276
            27  O1c O    -1.4172   -1.1000
            28  O3b O    -1.4034    0.4241
            29  C1y C    -2.8103   -0.7000
            30  O2x O    -3.4621   -0.3276
            31  C1y C    -2.8103   -1.4483
            32  C1y C    -4.1138   -0.7000
            33  C1y C    -3.4621   -1.8276
            34  O1a O    -2.1586   -1.8276
            35  C1y C    -4.1138   -1.4483
            36  C1b C    -4.7552   -0.3276
            37  O1a O    -3.4621   -2.5759
            38  O1a O    -4.7552   -1.8276
            39  O1a O    -5.3310   -0.8103
BOND        42
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   12  18 1 #Up
            18   13  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28   29  26 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1
            35   32  36 1 #Up
            36   33  37 1 #Up
            37   35  38 1 #Down
            38   36  39 1
            39    5   9 1
            40   11  15 1
            41   12  13 1
            42   33  35 1


entry: C00097
name: --- - L-Cysteine - L-2-Amino-3-mercaptopropionic acid
formula: C3H7NO2S
kcf:
ATOM        7
            1   C1c C    24.5141  -15.4370
            2   C6a C    23.3459  -14.6895
            3   C1b C    25.7289  -14.7361
            4   N1a N    24.5609  -16.8388
            5   O6a O    22.1311  -15.3436
            6   O6a O    23.3459  -13.2877
            7   S1a S    26.9438  -15.4838
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2
            6     3   7 1


entry: C00098
name: --- - Oligopeptide
formula: C2H4NO2R(C2H2NOR)n
kcf:
ATOM        11
            1   C5a C    -0.7138   -0.2034
            2   C1c C    -1.4897    0.2103
            3   N1b N     0.0000    0.2103
            4   O5a O    -0.7138   -1.0276
            5   N1a N    -2.2034   -0.2034
            6   R   R    -1.4897    1.0345
            7   C1c C     0.7172   -0.2034
            8   C6a C     1.5345    0.2103
            9   R   R     0.7172   -1.0276
            10  O6a O     2.2483   -0.2034
            11  O6a O     1.5345    1.0345
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2


entry: C00099
name: --- - beta-Alanine - 3-Aminopropionic acid - 3-Aminopropanoate
formula: C3H7NO2
kcf:
ATOM        6
            1   C1b C     0.1172   -0.3448
            2   C6a C    -0.5966    0.0690
            3   C1b C     0.8379    0.0690
            4   O6a O    -1.3172   -0.3483
            5   O6a O    -0.5966    0.9000
            6   N1a N     1.5552   -0.3448
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1


entry: C00100
name: --- - Propanoyl-CoA - Propionyl-CoA - Propionyl coenzyme A
formula: C24H40N7O17P3S
kcf:
ATOM        52
            1   N4y N     0.9690    3.0621
            2   C1y C     0.6931    1.3069
            3   C8y C    -0.3345    3.0621
            4   C8x C     0.9793    3.8172
            5   O2x O     0.0759    1.7552
            6   C1y C     0.4690    0.6034
            7   C8y C    -0.3345    3.8172
            8   N5x N    -0.9931    2.6759
            9   N5x N     0.3207    4.2000
            10  C1y C    -0.5379    1.3172
            11  C1y C    -0.2966    0.6034
            12  O1a O     0.9103   -0.0034
            13  C8y C    -0.9931    4.1931
            14  C8x C    -1.6414    3.0621
            15  C1b C    -1.2379    1.5379
            16  O2b O    -0.6828    0.0655
            17  N5x N    -1.6414    3.8172
            18  N1a N    -0.9931    4.9448
            19  O2b O    -2.2655    1.0552
            20  P1b P    -1.4793    0.0690
            21  P1b P    -3.4621    1.0414
            22  O1c O    -1.4241    0.7828
            23  O1c O    -2.2138    0.0517
            24  O3b O    -1.4862   -0.6828
            25  O2c O    -3.4621   -0.5483
            26  O1c O    -3.4724    1.7724
            27  O3b O    -4.2138    1.0552
            28  P1b P    -3.4552   -2.0759
            29  O2b O    -2.6207   -2.0759
            30  O1c O    -3.4690   -2.9621
            31  O3b O    -4.1517   -2.0793
            32  C1b C    -2.0276   -1.6862
            33  C1d C    -1.3793   -2.0621
            34  C1c C    -0.7310   -1.6862
            35  C1a C    -1.3931   -2.6483
            36  C1a C    -1.3897   -1.1793
            37  C5a C    -0.0793   -2.0621
            38  O1a O    -0.7310   -0.9379
            39  N1b N     0.5690   -1.6862
            40  O5a O    -0.0793   -2.8103
            41  C1b C     1.2172   -2.0621
            42  C1b C     1.8690   -1.6862
            43  C5a C     2.5172   -2.0621
            44  N1b N     3.1655   -1.6862
            45  O5a O     2.5172   -2.8103
            46  C1b C     3.8172   -2.0621
            47  C1b C     4.4655   -1.6862
            48  S2a S     5.1172   -2.0621
            49  C5a C     5.7655   -1.6862
            50  C1b C     6.4138   -2.0621
            51  O5a O     5.7655   -0.9345
            52  C1a C     7.0655   -1.6862
BOND        54
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52    7   9 1
            53   10  11 1
            54   14  17 1


entry: C00101
formula: C19H23N7O6
name:
--- 
- Tetrahydrofolate
- 5,6,7,8-Tetrahydrofolate
- Tetrahydrofolic acid
- THF
- (6S)-Tetrahydrofolate
- (6S)-Tetrahydrofolic acid
- (6S)-THFA

kcf:
ATOM        32
            1   C8y C     6.8009   -5.0642
            2   C8y C     6.8009   -5.8418
            3   N1x N     7.4777   -4.6626
            4   N5x N     6.1281   -4.6772
            5   N1x N     7.4846   -6.2323
            6   C8y C     6.1281   -6.2358
            7   C1x C     8.4609   -5.0462
            8   C8y C     5.4582   -5.0642
            9   C1y C     8.4720   -5.8349
            10  N4x N     5.4582   -5.8418
            11  O5x O     6.1281   -7.0065
            12  N1a N     4.7992   -4.6772
            13  C1b C     9.2909   -6.2358
            14  N1b N    10.2086   -5.7473
            15  C8y C    11.3036   -6.2151
            16  C8x C    11.6279   -5.5348
            17  C8x C    11.6872   -6.8878
            18  C8x C    12.4724   -5.5451
            19  C8x C    12.4648   -6.8878
            20  C8y C    12.8595   -6.2220
            21  C5a C    13.5253   -5.8349
            22  N1b N    14.3139   -6.2427
            23  O5a O    13.5288   -5.0677
            24  C1c C    15.2626   -5.8591
            25  C1b C    15.9284   -6.2461
            26  C6a C    15.2626   -5.0884
            27  C1b C    16.5984   -5.8625
            28  O6a O    15.9319   -4.7082
            29  O6a O    14.5927   -4.7047
            30  C6a C    17.2608   -6.2496
            31  O6a O    17.2573   -7.0168
            32  O6a O    17.9307   -5.8625
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     9   5 1 #Down
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 1
            24   24  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 2
            29   27  30 1
            30   30  31 1
            31   30  32 2
            32    7   9 1
            33    8  10 1
            34   19  20 2


entry: C00102
name: --- - 2,6-Dichloroindophenol - 2,6-Dichlorophenolindophenol - DCIP
formula: C12H7Cl2NO2
kcf:
ATOM        17
            1   C2y C    20.9256  -17.5941
            2   N2b N    22.1288  -18.2853
            3   C2x C    19.7029  -18.3109
            4   C2x C    20.9256  -16.1923
            5   C8y C    23.3386  -17.5941
            6   C2y C    18.4933  -17.5941
            7   C2y C    19.7029  -15.4947
            8   C8x C    23.3386  -16.1923
            9   C8x C    24.5418  -18.3109
            10  C5x C    18.4933  -16.1923
            11  X   Cl   17.2899  -18.2853
            12  X   Cl   19.6966  -14.1694
            13  C8x C    24.5418  -15.4947
            14  C8x C    25.7645  -17.5941
            15  O5x O    17.2899  -15.4947
            16  C8y C    25.7645  -16.1923
            17  O1a O    26.9677  -15.4882
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 2
            15   13  16 2
            16   16  17 1
            17    7  10 1
            18   14  16 1


entry: C00103
formula: C6H13O9P
name:
--- 
- D-Glucose 1-phosphate
- alpha-D-Glucose 1-phosphate
- Cori ester
- D-Glucose alpha-1-phosphate

kcf:
ATOM        16
            1   C1y C    22.5127  -15.4643
            2   O2x O    21.2895  -14.7690
            3   C1y C    22.5127  -16.8615
            4   O2b O    23.7231  -14.7690
            5   C1y C    20.0725  -15.4643
            6   C1y C    21.2895  -17.5697
            7   O1a O    23.7231  -17.5697
            8   P1b P    25.1203  -14.7624
            9   C1y C    20.0725  -16.8615
            10  C1b C    18.8751  -14.7690
            11  O1a O    21.2895  -19.0366
            12  O1c O    25.1203  -13.2952
            13  O1c O    25.1203  -16.2359
            14  O3b O    26.5238  -14.7624
            15  O1a O    18.8751  -17.5697
            16  O1a O    17.7998  -15.6702
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 1 #Down
            15   10  16 1
            16    6   9 1


entry: C00104
name: --- - IDP - Inosine 5'-diphosphate - Inosine diphosphate
formula: C10H14N4O11P2
kcf:
ATOM        27
            1   N4y N    27.2982  -15.9000
            2   C8y C    25.9809  -15.4840
            3   C1y C    26.2646  -17.9169
            4   C8x C    28.1049  -14.7971
            5   C8y C    25.9809  -14.0975
            6   N5x N    24.7771  -16.1837
            7   O2x O    25.1365  -17.0913
            8   C1y C    25.8486  -19.1964
            9   N5x N    27.2982  -13.6689
            10  C8y C    24.7771  -13.4106
            11  C8x C    23.5922  -15.4840
            12  C1y C    24.0208  -17.8917
            13  C1y C    24.4556  -19.1964
            14  O1a O    26.6616  -20.3056
            15  N4x N    23.5922  -14.0975
            16  O5x O    24.7771  -12.1829
            17  C1b C    22.7288  -17.4883
            18  O1a O    23.6679  -20.3245
            19  O2b O    21.7078  -18.0933
            20  P1b P    20.3339  -18.0871
            21  O2c O    18.9600  -18.0871
            22  O1c O    20.3339  -16.5794
            23  O3b O    20.3213  -19.4610
            24  P1b P    17.5922  -18.0871
            25  O1c O    16.2183  -18.0871
            26  O1c O    17.5922  -16.5794
            27  O3b O    17.5922  -19.4610
BOND        29
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27    5   9 1
            28   11  15 1
            29   12  13 1


entry: C00105
name: --- - UMP - Uridylic acid - Uridine monophosphate - Uridine 5'-monophosphate - 5'Uridylic acid
formula: C9H13N2O9P
kcf:
ATOM        21
            1   C1y C     0.4966    0.1207
            2   N4y N     1.2862    0.3793
            3   O2x O    -0.1483    0.5931
            4   C1y C     0.2517   -0.6897
            5   C8y C     1.9069   -0.1724
            6   C8x C     1.4586    1.1897
            7   C1y C    -0.8241    0.1000
            8   C1y C    -0.5759   -0.6897
            9   O1a O     0.7379   -1.3552
            10  N4x N     2.7000    0.0897
            11  O5x O     1.7448   -0.9793
            12  C8x C     2.2414    1.4517
            13  C1b C    -1.6103    0.3552
            14  O1a O    -1.0655   -1.3517
            15  C8y C     2.8690    0.9000
            16  O2b O    -2.1966   -0.2207
            17  O5x O     3.6552    1.1586
            18  P1b P    -3.0207   -0.2207
            19  O1c O    -3.0276   -1.0448
            20  O1c O    -3.8483   -0.2207
            21  O3b O    -3.0276    0.6034
BOND        22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21    7   8 1
            22   12  15 1


entry: C00106
name: --- - Uracil
formula: C4H4N2O2
kcf:
ATOM        8
            1   N4x N    25.4793  -18.6495
            2   C8y C    24.2610  -17.9559
            3   C8y C    25.4793  -20.0543
            4   C8x C    23.0602  -18.6554
            5   O5x O    24.2610  -16.5568
            6   N4x N    24.2726  -20.7598
            7   O5x O    26.6977  -20.7481
            8   C8x C    23.0602  -20.0603
BOND        8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     4   8 2
            8     6   8 1


entry: C00107
name: --- - Dipeptide
formula: C4H6N2O3R2
kcf:
ATOM        11
            1   C5a C    -0.8310   -0.1828
            2   C1c C    -1.5207    0.2138
            3   N1b N    -0.1379    0.2172
            4   O5a O    -0.8276   -0.9828
            5   N1a N    -2.2138   -0.1862
            6   R   R    -1.5241    1.0138
            7   C1c C     0.8241   -0.1793
            8   C6a C     1.5724    0.2207
            9   R   R     0.8241   -0.9793
            10  O6a O     2.2655   -0.1759
            11  O6a O     1.5724    1.0207
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2


entry: C00108
name: --- - Anthranilate - Anthranilic acid - o-Aminobenzoic acid - Vitamin L1 - 2-Aminobenzoate
formula: C7H7NO2
kcf:
ATOM        10
            1   C8y C    -0.1310    0.1552
            2   C8y C     0.5276   -0.2207
            3   C8x C    -0.7793   -0.2207
            4   C6a C    -0.1345    0.9034
            5   C8x C     0.5276   -0.9793
            6   N1a N     1.1759    0.1552
            7   C8x C    -0.7793   -0.9793
            8   O6a O     0.5172    1.2793
            9   O6a O    -0.7862    1.2759
            10  C8x C    -0.1310   -1.3621
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  10 2


entry: C00109
formula: C4H6O3
name:
--- 
- 2-Oxobutanoate
- 2-Ketobutyric acid
- 2-Oxobutyric acid
- 2-Oxobutyrate
- 2-Oxobutanoic acid
- alpha-Ketobutyric acid
- alpha-Ketobutyrate

kcf:
ATOM        7
            1   C5a C    22.1561  -16.5428
            2   C6a C    23.3734  -15.8406
            3   C1b C    20.9451  -15.8406
            4   O5a O    22.2196  -18.0740
            5   O6a O    24.5844  -16.5428
            6   O6a O    23.3671  -14.5065
            7   C1a C    19.7342  -16.5428
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1


entry: C00110
name: --- - Dolichyl phosphate - Dolichol phosphate
formula: C10H21O4P(C5H8)n
kcf:
ATOM        20
            1   P1b P     4.4655   -0.3034
            2   O2b O     3.6379   -0.3034
            3   O1c O     5.2966   -0.3034
            4   O1c O     4.4621    0.5241
            5   O3b O     4.4621   -1.1345
            6   C1b C     2.9207    0.1069
            7   C1b C     2.2034   -0.3000
            8   C1c C     1.4862    0.1172
            9   C1b C     0.7690   -0.2966
            10  C1a C     1.4828    0.9448
            11  C1b C    -0.0517    0.1207
            12  C2b C    -0.7655   -0.2966
            13  C2c C    -1.4862    0.1207
            14  C1b C    -2.2034   -0.2966
            15  C1a C    -1.4931    0.9483
            16  C1b C    -2.9793    0.1207
            17  C2b C    -3.6966   -0.2966
            18  C2c C    -4.4172    0.1207
            19  C1a C    -5.1379   -0.2966
            20  C1a C    -4.4207    0.9483
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 1
            10    9  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1


entry: C00111
name: --- - Glycerone phosphate - Dihydroxyacetone phosphate
formula: C3H7O6P
kcf:
ATOM        10
            1   P1b P    22.8555  -17.6695
            2   O2b O    21.4279  -17.6628
            3   O1c O    22.8992  -19.2106
            4   O1c O    22.8950  -16.1215
            5   O3b O    24.2890  -17.6497
            6   C1b C    20.1911  -16.9523
            7   C5a C    20.1911  -15.5247
            8   C1b C    20.1911  -14.0971
            9   O5a O    21.4787  -15.5247
            10  O1a O    21.4279  -13.3801
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     8  10 1


entry: C00112
name: --- - CDP - Cytidine 5'-diphosphate - Cytidine diphosphate
formula: C9H15N3O11P2
kcf:
ATOM        25
            1   C1y C     1.2862    0.1483
            2   N4y N     2.0759    0.4069
            3   O2x O     0.6414    0.6207
            4   C1y C     1.0414   -0.6621
            5   C8y C     2.6966   -0.1448
            6   C8x C     2.2483    1.2172
            7   C1y C    -0.0345    0.1276
            8   C1y C     0.2138   -0.6621
            9   O1a O     1.5276   -1.3276
            10  N5x N     3.4897    0.1172
            11  O5x O     2.5345   -0.9517
            12  C8x C     3.0310    1.4793
            13  C1b C    -0.8207    0.3828
            14  O1a O    -0.2759   -1.3241
            15  C8y C     3.6586    0.9276
            16  O2b O    -1.4310   -0.1724
            17  N1a N     4.4448    1.1862
            18  P1b P    -2.2586   -0.1724
            19  O2c O    -3.0828   -0.1724
            20  O1c O    -2.2621   -0.9966
            21  O3b O    -2.2621    0.6517
            22  P1b P    -3.9069   -0.1690
            23  O1c O    -3.9103   -0.9931
            24  O1c O    -4.7310   -0.1690
            25  O3b O    -3.9103    0.6586
BOND        26
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25    7   8 1
            26   12  15 1


entry: C00113
formula: C14H6N2O8
name:
--- 
- PQQ
- Pyrrolo-quinoline quinone
- Pyrroloquinoline-quinone
- Pyrroloquinoline quinone
- 4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9- tricarboxylate

kcf:
ATOM        24
            1   C8y C     7.0481   -8.6854
            2   N4x N     7.7618   -9.0802
            3   C8y C     8.4484   -7.8426
            4   C8y C     7.7305   -7.4478
            5   C8x C     7.0334   -7.8673
            6   C8y C     9.1294   -7.4528
            7   C8y C     9.1341   -6.6493
            8   C8y C     9.8240   -7.8458
            9   C5x C     8.4478   -6.2475
            10  N5x N     9.8290   -6.2521
            11  C8x C    10.5189   -7.4531
            12  C6a C     9.8151   -8.6399
            13  C5x C     7.7533   -6.6493
            14  O5x O     8.4478   -5.4550
            15  C8y C    10.5235   -6.6543
            16  O6a O     9.1291   -9.0369
            17  O6a O    10.5052   -9.0418
            18  O5x O     7.0631   -6.2521
            19  C6a C    11.2051   -6.2616
            20  O6a O    11.8952   -6.6635
            21  O6a O    11.2140   -5.4742
            22  C6a C     6.3496   -9.1067
            23  O6a O     5.6360   -8.7115
            24  O6a O     6.3646   -9.9232
BOND        26
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     6   3 1
            5     6   7 2
            6     6   8 1
            7     7   9 1
            8     7  10 1
            9     8  11 2
            10    8  12 1
            11    4  13 1
            12    9  14 2
            13   10  15 2
            14   12  16 1
            15   12  17 2
            16   13  18 2
            17   15  19 1
            18   19  20 1
            19   19  21 2
            20    9  13 1
            21   11  15 1
            22    5   1 2
            23    1  22 1
            24    2   3 1
            25   22  23 1
            26   22  24 2


entry: C00114
name: --- - Choline - Bilineurine
formula: C5H14NO
kcf:
ATOM        7
            1   C1a C     6.1600  -12.6700
            2   N1d N     7.3724  -11.9700 #+
            3   C1b C     8.5849  -12.6700
            4   C1b C     9.7973  -11.9700
            5   O1a O    11.0097  -12.6700
            6   C1a C     7.3724  -10.5702
            7   C1a C     7.3724  -13.3700
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1


entry: C00116
name: --- - Glycerol - Glycerin - 1,2,3-Trihydroxypropane - 1,2,3-Propanetriol
formula: C3H8O3
kcf:
ATOM        6
            1   C1c C    20.1415  -20.1600
            2   C1b C    20.1357  -18.7600
            3   C1b C    20.1357  -21.5600
            4   O1a O    18.7415  -20.1542
            5   O1a O    21.5357  -18.7600
            6   O1a O    21.5357  -21.5600
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1


entry: C00117
name: --- - D-Ribose 5-phosphate - Ribose 5-phosphate
formula: C5H11O8P
kcf:
ATOM        14
            1   P1b P    19.2239  -16.0492
            2   O2b O    20.6261  -16.0492
            3   O1c O    17.8280  -16.0492
            4   O1c O    19.2239  -17.5151
            5   O3b O    19.2175  -14.5770
            6   C1b C    21.4689  -14.9428
            7   C1y C    22.7939  -15.3545
            8   C1y C    23.2377  -16.6926
            9   O2x O    23.9260  -14.5377
            10  C1y C    24.6593  -16.6926
            11  O1a O    22.4337  -17.8310
            12  C1y C    25.0838  -15.3739
            13  O1a O    25.4890  -17.8118
            14  O1a O    26.4854  -14.8794
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     7   6 1 #Up
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 1 #Down
            11    9  12 1
            12   10  13 1 #Down
            13   12  14 1 #Either
            14   10  12 1


entry: C00118
name: --- - (2R)-2-Hydroxy-3-(phosphonooxy)-propanal - D-Glyceraldehyde 3-phosphate
formula: C3H7O6P
kcf:
ATOM        10
            1   P1b P    23.3673  -17.8271
            2   O2b O    21.9627  -17.8657
            3   O1c O    23.4124  -19.2694
            4   O1c O    24.6768  -17.8584
            5   O3b O    23.3987  -16.4547
            6   C1b C    20.7579  -17.1763
            7   C1c C    20.7579  -15.5618
            8   C4a C    20.7579  -14.0237
            9   O1a O    22.0924  -15.5618
            10  O4a O    21.9756  -13.3914
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1 #Up
            9     8  10 2


entry: C00119
formula: C5H13O14P3
name:
--- 
- 5-Phospho-alpha-D-ribose 1-diphosphate
- 5-Phosphoribosyl diphosphate
- 5-Phosphoribosyl 1-pyrophosphate
- PRPP

kcf:
ATOM        22
            1   C1y C    22.2874  -15.9126
            2   O2x O    21.1289  -15.0759
            3   C1y C    21.8626  -17.2255
            4   O2b O    23.6260  -15.4878
            5   C1y C    19.9962  -15.8932
            6   C1y C    20.4466  -17.2255
            7   O1a O    22.6928  -18.3518
            8   P1b P    25.0226  -15.4749
            9   C1b C    18.6703  -15.4813
            10  O1a O    19.6421  -18.3647
            11  O2c O    26.4191  -15.4749
            12  O1c O    25.0161  -14.0083
            13  O3b O    25.0226  -16.8779
            14  O2b O    17.8336  -16.5883
            15  P1b P    27.8223  -15.4749
            16  P1b P    16.4243  -16.5819
            17  O1c O    29.2187  -15.4749
            18  O1c O    27.8223  -14.0083
            19  O3b O    27.8223  -16.8779
            20  O1c O    15.0276  -16.5819
            21  O1c O    16.4243  -17.9786
            22  O3b O    16.4177  -15.1789
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1 #Up
            9     6  10 1 #Down
            10    8  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   11  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   16  21 1
            21   16  22 2
            22    5   6 1


entry: C00120
name: --- - Biotin - D-Biotin - Vitamin H - Coenzyme R
formula: C10H16N2O3S
kcf:
ATOM        16
            1   C1y C    18.7455  -17.4465
            2   C1y C    17.3492  -17.4348
            3   C1y C    19.1779  -18.7728
            4   N1x N    19.1896  -16.1086
            5   N1x N    16.9110  -16.1086
            6   C1x C    16.9110  -18.7611
            7   S2x S    18.0444  -19.5907
            8   C1b C    20.3931  -19.4680
            9   C5x C    18.0503  -15.2789
            10  C1b C    21.6025  -18.7728
            11  O5x O    18.0503  -13.8709
            12  C1b C    22.8119  -19.4680
            13  C1b C    24.0214  -18.7728
            14  C6a C    25.2308  -19.4680
            15  O6a O    26.4402  -18.7728
            16  O6a O    25.2308  -20.8702
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     8  10 1
            10    9  11 2
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16    5   9 1
            17    6   7 1


entry: C00121
name: --- - D-Ribose
formula: C5H10O5
kcf:
ATOM        10
            1   C1y C    -0.4862    0.3931
            2   C1y C    -0.2138   -0.3931
            3   O2x O     0.1828    0.8793
            4   C1b C    -1.2621    0.6414
            5   C1y C     0.6207   -0.3931
            6   O1a O    -0.7034   -1.0655
            7   C1y C     0.8655    0.3793
            8   O1a O    -1.7621   -0.0207
            9   O1a O     1.1035   -1.0621
            10  O1a O     1.6517    0.6379
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1 #Down
            9     7  10 1 #Either
            10    5   7 1


entry: C00122
name: --- - Fumarate - Fumaric acid - trans-Butenedioic acid
formula: C4H4O4
kcf:
ATOM        8
            1   C6a C    20.4406  -15.2590
            2   C2b C    21.6516  -15.9610
            3   O6a O    19.2297  -15.9610
            4   O6a O    20.4406  -13.8609
            5   C2b C    22.8684  -15.2590
            6   C6a C    24.0794  -15.9610
            7   O6a O    25.2903  -15.2590
            8   O6a O    24.0794  -17.3591
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2


entry: C00123
formula: C6H13NO2
name:
--- 
- L-Leucine
- 2-Amino-4-methylvaleric acid
- (2S)-alpha-2-Amino-4-methylvaleric acid
- (2S)-alpha-Leucine

kcf:
ATOM        9
            1   C1c C    25.0761  -19.4138
            2   C1b C    26.2633  -18.6769
            3   C6a C    23.8420  -18.7586
            4   N1a N    25.1229  -20.8173
            5   C1c C    27.4974  -19.3377
            6   O6a O    22.6841  -19.5483
            7   O6a O    23.8654  -17.3551
            8   C1a C    28.6846  -18.6007
            9   C1a C    27.5442  -20.7356
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 1


entry: C00124
name: --- - D-Galactose
formula: C6H12O6
kcf:
ATOM        12
            1   C1y C    20.9181  -13.5272
            2   C1y C    20.9181  -14.9277
            3   O2x O    22.1260  -12.8270
            4   C1b C    19.7043  -12.8270
            5   C1y C    22.1260  -15.6279
            6   O1a O    19.7043  -15.6279
            7   C1y C    23.3455  -13.5272
            8   O1a O    18.6423  -13.7374
            9   C1y C    23.3455  -14.9277
            10  O1a O    22.1260  -17.0283
            11  O1a O    24.5534  -12.8270
            12  O1a O    24.5534  -15.6279
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Either
            11    9  12 1 #Down
            12    7   9 1


entry: C00127
name: --- - Oxidized glutathione - Glutathione disulfide - GSSG - Oxiglutatione
formula: C20H32N6O12S2
kcf:
ATOM        40
            1   C1c C     0.6655   -1.7690
            2   N1b N     0.0172   -2.1448
            3   C5a C     1.3172   -2.1448
            4   C1b C     0.6793   -0.8828
            5   C5a C    -0.6310   -1.7690
            6   N1b N     2.0897   -1.5931
            7   O5a O     1.3172   -2.8931
            8   S3a S    -0.0379   -0.4655
            9   C1b C    -1.2828   -2.1448
            10  O5a O    -0.6310   -1.0172
            11  C1b C     2.8241   -2.2379
            12  S3a S    -0.0379    0.4655
            13  C1b C    -1.9310   -1.7690
            14  C6a C     3.4724   -1.8655
            15  C1b C     0.6828    0.8828
            16  C1c C    -2.5793   -2.1448
            17  O6a O     3.4690   -1.1138
            18  O6a O     4.1207   -2.2414
            19  C1c C     0.6724    1.7690
            20  C6a C    -3.2310   -1.7690
            21  N1a N    -2.5793   -2.8931
            22  N1b N     0.0207    2.1448
            23  C5a C     1.3207    2.1448
            24  O6a O    -3.8793   -2.1448
            25  O6a O    -3.2276   -1.0172
            26  C5a C    -0.6276    1.7690
            27  N1b N     2.0966    1.5931
            28  O5a O     1.3207    2.8931
            29  C1b C    -1.2793    2.1448
            30  O5a O    -0.6276    1.0172
            31  C1b C     2.8276    2.2379
            32  C1b C    -1.9276    1.7690
            33  C6a C     3.4759    1.8655
            34  C1c C    -2.5759    2.1448
            35  O6a O     3.4759    1.1138
            36  O6a O     4.1241    2.2414
            37  C6a C    -3.2276    1.7690
            38  N1a N    -2.5759    2.8931
            39  O6a O    -3.8759    2.1448
            40  O6a O    -3.2241    1.0172
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   19  15 1 #Down
            19   16  20 1 #Down
            20   16  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   20  25 2
            25   22  26 1
            26   23  27 1
            27   23  28 2
            28   26  29 1
            29   26  30 2
            30   27  31 1
            31   29  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35   33  36 2
            36   34  37 1 #Up
            37   34  38 1
            38   37  39 1
            39   37  40 2


entry: C00128
name: --- - CMP-N-acetylneuraminate
formula: C20H31N4O16P
kcf:
ATOM        41
            1   C1z C    18.7470  -16.1154
            2   O2x O    17.5923  -15.4468
            3   C1x C    18.7470  -17.4441
            4   O2b O    20.8660  -17.7078
            5   C6a C    19.8882  -15.4468
            6   C1y C    16.4394  -16.1154
            7   C1y C    17.5923  -18.1300
            8   P1b P    22.2018  -17.7078
            9   O6a O    19.8589  -14.1240
            10  O6a O    21.0299  -16.1154
            11  C1y C    16.4394  -17.4441
            12  O1a O    17.5982  -19.4471
            13  O2b O    23.5190  -17.7078
            14  O1c O    22.2018  -19.1720
            15  O3b O    22.2018  -16.1680
            16  C1b C    24.8490  -17.7078
            17  C1y C    26.1079  -18.1009
            18  O2x O    27.1798  -17.3208
            19  C1y C    26.5299  -19.3599
            20  C1y C    28.2689  -18.1183
            21  C1y C    27.8773  -19.3599
            22  O1a O    25.7685  -20.4376
            23  N4y N    29.1130  -15.8979
            24  O1a O    28.6560  -20.4259
            25  C8y C    27.9527  -15.2248
            26  C8x C    30.2721  -15.2481
            27  N5x N    27.9121  -13.8950
            28  O5x O    26.8112  -15.8803
            29  C8x C    30.2721  -13.9008
            30  C8y C    29.1188  -13.2276
            31  N1a N    29.1188  -11.9034
            32  C1c C    15.2278  -15.3949
            33  C1c C    15.2327  -14.0033
            34  C1b C    14.0300  -13.3034
            35  O1a O    14.0348  -11.9118
            36  N1b N    15.0148  -18.4148
            37  O1a O    16.4305  -13.3117
            38  O1a O    14.0127  -16.0832
            39  C5a C    15.0145  -19.8074
            40  O5a O    16.2205  -20.5032
            41  C1a C    13.8094  -20.5032
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   11  36 1 #Up
            39   33  37 1 #Up
            40   32  38 1 #Down
            41   36  39 1
            42   39  40 2
            43   39  41 1


entry: C00129
formula: C5H12O7P2
name:
--- 
- Isopentenyl diphosphate
- delta3-Isopentenyl diphosphate
- delta3-Methyl-3-butenyl diphosphate

kcf:
ATOM        14
            1   P1b P    22.4876  -17.2282
            2   O2c O    23.8598  -17.2220
            3   O2b O    22.4687  -15.7286
            4   O1c O    22.4623  -18.7968
            5   O3b O    21.1091  -17.2282
            6   P1b P    25.2321  -17.2220
            7   C1b C    21.2989  -15.0331
            8   O1c O    25.2257  -15.7097
            9   O1c O    25.2130  -18.8345
            10  O3b O    26.6043  -17.2220
            11  C1b C    20.1100  -15.7224
            12  C2c C    18.9212  -15.0331
            13  C1a C    17.7261  -15.7224
            14  C2a C    18.9212  -13.7308
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2


entry: C00130
formula: C10H13N4O8P
name:
--- 
- IMP
- Inosinic acid
- Inosine monophosphate
- Inosine 5'-monophosphate
- Inosine 5'-phosphate
- 5'-Inosinate
- 5'-Inosinic acid
- 5'-Inosine monophosphate
- 5'-IMP

kcf:
ATOM        23
            1   N4y N    25.9047  -15.8945
            2   C8y C    24.5916  -15.4798
            3   C1y C    24.8744  -17.9048
            4   C8x C    26.7089  -14.7949
            5   C8y C    24.5916  -14.0977
            6   N5x N    23.3979  -16.1772
            7   O2x O    23.7561  -17.0818
            8   C1y C    24.4597  -19.1801
            9   N5x N    25.9109  -13.6704
            10  C8y C    23.3979  -13.4128
            11  C8x C    22.2106  -15.4798
            12  C1y C    22.6378  -17.8796
            13  C1y C    23.0776  -19.1801
            14  O1a O    25.2701  -20.2859
            15  N4x N    22.2106  -14.0977
            16  O5x O    23.3917  -12.0433
            17  C1b C    21.3563  -17.4713
            18  O1a O    22.2922  -20.2984
            19  O2b O    20.3383  -18.0744
            20  P1b P    18.9626  -18.0744
            21  O1c O    17.5993  -18.0744
            22  O1c O    18.9626  -16.7049
            23  O3b O    18.9562  -19.4378
BOND        25
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23    5   9 1
            24   11  15 1
            25   12  13 1


entry: C00131
formula: C10H16N5O12P3
name:
--- 
- dATP
- 2'-Deoxyadenosine 5'-triphosphate
- Deoxyadenosine 5'-triphosphate
- Deoxyadenosine triphosphate

kcf:
ATOM        30
            1   N4y N    27.1598  -15.3543
            2   C8y C    28.2258  -16.0943
            3   C1y C    25.6624  -15.8438
            4   C8x C    27.6374  -13.9563
            5   C8y C    29.4607  -15.1854
            6   N5x N    28.3598  -17.5214
            7   O2x O    24.5206  -14.9932
            8   C1x C    25.2256  -17.1020
            9   N5x N    29.0879  -13.9622
            10  C8y C    30.7191  -15.7447
            11  C8x C    29.6879  -18.1098
            12  C1y C    23.4139  -15.7855
            13  C1y C    23.8449  -17.1020
            14  N5x N    30.9463  -17.3001
            15  N1a N    31.8257  -14.9175
            16  C1b C    22.0916  -15.3544
            17  O1a O    23.3964  -18.4185
            18  O2b O    21.0489  -16.2923
            19  P1b P    19.6508  -16.2923
            20  O2c O    18.2585  -16.2923
            21  O1c O    19.6449  -17.6846
            22  O3b O    19.6449  -14.9001
            23  P1b P    16.8663  -16.2866
            24  O2c O    15.4742  -16.2866
            25  O1c O    16.8606  -17.6787
            26  O3b O    16.8606  -14.8942
            27  P1b P    14.0761  -16.2806
            28  O1c O    14.0702  -17.6730
            29  O1c O    12.6838  -16.2690
            30  O3b O    14.0702  -14.8826
BOND        32
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   10  14 2
            14   10  15 1
            15   12  16 1 #Up
            16   13  17 1 #Down
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   23  24 1
            24   23  25 1
            25   23  26 2
            26   24  27 1
            27   27  28 1
            28   27  29 1
            29   27  30 2
            30    5   9 1
            31   11  14 1
            32   12  13 1


entry: C00132
name: --- - Methanol - Methyl alcohol
formula: CH4O
kcf:
ATOM        2
            1   C1a C    22.1200  -14.6300
            2   O1a O    23.5200  -14.6300
BOND        1
            1     1   2 1


entry: C00133
name: --- - D-Alanine - D-2-Aminopropionic acid
formula: C3H7NO2
kcf:
ATOM        6
            1   O6a O    22.7503  -15.7507
            2   C6a C    23.9627  -15.0506
            3   C1c C    25.1753  -15.7507
            4   C1a C    26.3878  -15.0506
            5   O6a O    23.9627  -13.6508
            6   N1a N    25.1753  -17.1506
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     3   6 1 #Up


entry: C00134
name: --- - Putrescine - 1,4-Butanediamine - 1,4-Diaminobutane - Tetramethylenediamine
formula: C4H12N2
kcf:
ATOM        6
            1   C1b C    -0.3586   -0.2069
            2   C1b C     0.3586    0.2069
            3   C1b C    -1.0724    0.2069
            4   C1b C     1.0724   -0.2069
            5   N1a N    -1.7862   -0.2069
            6   N1a N     1.7862    0.2069
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1


entry: C00135
name: --- - L-Histidine - (S)-alpha-Amino-1H-imidazole-4-propionic acid
formula: C6H9N3O2
kcf:
ATOM        11
            1   C8y C    24.9301  -16.1704
            2   C1b C    23.7417  -15.4887
            3   C8x C    24.9301  -17.4169
            4   N5x N    27.0970  -16.1704
            5   C1c C    22.5476  -16.1704
            6   N4x N    26.0077  -18.0402
            7   C8x C    27.0970  -17.4169
            8   C6a C    21.3651  -15.4887
            9   N1a N    22.5476  -17.5451
            10  O6a O    20.1709  -16.1704
            11  O6a O    21.3651  -14.1082
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 1 #Down
            9     8  10 1
            10    8  11 2
            11    6   7 1


entry: C00136
name: --- - Butanoyl-CoA - Butyryl-CoA
formula: C25H42N7O17P3S
kcf:
ATOM        53
            1   N4y N    -0.7724    2.1586
            2   C1y C     0.1000    1.5690
            3   C8y C    -2.0862    2.1586
            4   C8x C    -0.7724    2.9172
            5   C1y C     0.3276    0.8655
            6   O2x O     0.7207    2.0172
            7   C8y C    -2.0862    2.9172
            8   N5x N    -2.7345    1.7759
            9   N5x N    -1.4276    3.3000
            10  C1y C     1.0931    0.8655
            11  O1a O    -0.1138    0.2586
            12  C1y C     1.3310    1.5793
            13  C8y C    -2.7345    3.2931
            14  C8x C    -3.3931    2.1586
            15  O2b O     1.5310    0.2552
            16  C1b C     2.0345    1.8000
            17  N5x N    -3.3931    2.9172
            18  N1a N    -2.7310    4.0414
            19  P1b P     2.2759    0.3310
            20  O2b O     3.0586    1.3138
            21  O1c O     2.2172    1.0448
            22  O1c O     3.0069    0.3138
            23  O3b O     2.2793   -0.4241
            24  P1b P     4.2552    1.3035
            25  O2c O     4.2586   -0.3310
            26  O1c O     4.2655    2.0345
            27  O3b O     5.0103    1.3138
            28  P1b P     4.2586   -1.8138
            29  O2b O     3.4793   -1.8000
            30  O1c O     4.2517   -2.5517
            31  O3b O     5.0138   -1.8035
            32  C1b C     2.8310   -1.4276
            33  C1d C     2.1828   -1.8000
            34  C1c C     1.5310   -1.4241
            35  C1a C     2.1828   -2.5517
            36  C1a C     2.1897   -0.9724
            37  C5a C     0.8828   -1.8000
            38  O1a O     1.5345   -0.6759
            39  N1b N     0.2345   -1.4241
            40  O5a O     0.8828   -2.5517
            41  C1b C    -0.4172   -1.8000
            42  C1b C    -1.0655   -1.4241
            43  C5a C    -1.7138   -1.8000
            44  N1b N    -2.3655   -1.4241
            45  O5a O    -1.7138   -2.5517
            46  C1b C    -3.0138   -1.8000
            47  C1b C    -3.6621   -1.4241
            48  S2a S    -4.3138   -1.8000
            49  C5a C    -4.9621   -1.4241
            50  C1b C    -5.6103   -1.8000
            51  O5a O    -4.9621   -0.6759
            52  C1b C    -6.2621   -1.4241
            53  C1a C    -6.9103   -1.8000
BOND        55
            1     2   1 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   12  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53    7   9 1
            54   10  12 1
            55   14  17 1


entry: C00137
formula: C6H12O6
name:
--- 
- myo-Inositol
- D-myo-Inositol
- 1D-myo-Inositol
- L-myo-Inositol
- 1L-myo-Inositol
- meso-Inositol
- Inositol
- Dambose
- Cyclohexitol
- Meat sugar
- Bios I

kcf:
ATOM        12
            1   C1y C    21.1042  -15.4853
            2   C1y C    22.2851  -14.8007
            3   C1y C    21.1042  -16.8673
            4   O1a O    19.7116  -14.8653
            5   C1y C    23.4848  -15.4853
            6   O1a O    22.2788  -13.4377
            7   C1y C    22.2851  -17.5644
            8   O1a O    19.7771  -17.5456
            9   C1y C    23.4848  -16.8673
            10  O1a O    24.7357  -14.8007
            11  O1a O    22.2788  -18.9275
            12  O1a O    24.6657  -17.5456
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Up
            11    9  12 1 #Down
            12    7   9 1


entry: C00140
name: --- - N-Acetyl-D-glucosamine - N-Acetylchitosamine - 2-Acetamido-2-deoxy-D-glucose - GlcNAc
formula: C8H15NO6
kcf:
ATOM        15
            1   C1y C     0.3586    0.0276
            2   C1y C    -0.3379   -0.3759
            3   C1y C     0.3586    0.8276
            4   N1b N     0.9724   -0.5759
            5   C1y C    -1.0241    0.0276
            6   O1a O    -0.3345   -1.1724
            7   O2x O    -0.3379    1.2310
            8   O1a O     1.0552    1.2310
            9   C5a C     1.7621   -1.0103
            10  C1y C    -1.0241    0.8276
            11  O1a O    -1.7138   -0.3759
            12  C1a C     2.5345   -0.6103
            13  O5a O     1.7655   -1.9862
            14  C1b C    -1.7138    1.2310
            15  O1a O    -2.3241    0.7069
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Either
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    9  12 1
            12    9  13 2
            13   10  14 1 #Up
            14   14  15 1
            15    7  10 1


entry: C00141
formula: C5H8O3
name:
--- 
- 3-Methyl-2-oxobutanoic acid
- 3-Methyl-2-oxobutyric acid
- 3-Methyl-2-oxobutanoate
- 2-Oxo-3-methylbutanoate
- 2-Oxoisovalerate
- 2-Oxoisopentanoate
- alpha-Ketovaline
- 2-Ketovaline
- 2-Keto-3-methylbutyric acid

kcf:
ATOM        8
            1   C5a C    22.1200  -16.5574
            2   C1c C    20.9110  -15.8564
            3   C6a C    23.3290  -15.8564
            4   O5a O    22.1200  -18.2327
            5   C1a C    19.6957  -16.5574
            6   C1a C    20.9110  -14.4546
            7   O6a O    24.5443  -16.5574
            8   O6a O    23.3290  -14.4546
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2


entry: C00142
name: --- - 3'-Phosphomononucleotide
formula: C5H10O7PR
kcf:
ATOM        14
            1   C1y C     0.2483   -0.1931
            2   C1y C    -0.0034    0.5931
            3   C1y C     1.0862   -0.1931
            4   O2b O    -0.2207   -0.8655
            5   O2x O     0.6517    1.0724
            6   C1b C    -0.7897    0.8448
            7   C1y C     1.3310    0.5828
            8   O1a O     1.5724   -0.8586
            9   P1b P    -1.0483   -0.8655
            10  O1a O    -0.9655    1.6517
            11  R   R     2.1207    0.8310
            12  O1c O    -1.8759   -0.8655
            13  O1c O    -1.0483   -0.0414
            14  O3b O    -1.0621   -1.6931
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1 #Up
            11    9  12 1
            12    9  13 1
            13    9  14 2
            14    5   7 1


entry: C00143
name: --- - 5,10-Methylenetetrahydrofolate - (6R)-5,10-Methylenetetrahydrofolate - 5,10-Methylene-THF
formula: C20H23N7O6
kcf:
ATOM        33
            1   N1y N     8.0957   -5.3405
            2   C8y C     7.3878   -4.9328
            3   C1y C     8.8871   -4.8975
            4   C1x C     8.0957   -6.1464
            5   C8y C     7.3878   -4.1234
            6   C8y C     6.6833   -5.3440
            7   C1x C     9.3445   -5.6268
            8   C1x C     8.8836   -4.0779
            9   N1y N     8.9154   -6.3803
            10  N1x N     8.0922   -3.7122
            11  N5x N     6.6833   -3.7225
            12  N4x N     5.9892   -4.9328
            13  O5x O     6.6833   -6.1464
            14  C8y C     9.6129   -6.7150
            15  C8y C     5.9892   -4.1234
            16  C8x C     9.9544   -6.0105
            17  C8x C    10.0172   -7.4194
            18  N1a N     5.2917   -3.7225
            19  C8x C    10.8301   -6.0208
            20  C8x C    10.8266   -7.4194
            21  C8y C    11.2309   -6.7219
            22  C5a C    11.9284   -6.3245
            23  N1b N    12.7482   -6.7501
            24  O5a O    11.9284   -5.5220
            25  C1c C    13.7355   -6.3486
            26  C1b C    14.4296   -6.7536
            27  C6a C    13.7355   -5.5469
            28  C1b C    15.1272   -6.3520
            29  O6a O    14.4331   -5.1487
            30  O6a O    13.0414   -5.1453
            31  C6a C    15.8212   -6.7570
            32  O6a O    15.8102   -7.5553
            33  O6a O    16.5154   -6.3520
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    9  14 1
            14   11  15 2
            15   14  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 2
            30   28  31 1
            31   31  32 1
            32   31  33 2
            33    7   9 1
            34    8  10 1
            35   12  15 1
            36   20  21 2


entry: C00144
formula: C10H14N5O8P
name:
--- 
- GMP
- Guanosine 5'-phosphate
- Guanosine monophosphate
- Guanosine 5'-monophosphate
- Guanylic acid

kcf:
ATOM        24
            1   C8y C     1.4552    0.1103
            2   N4y N     0.8276    0.5517
            3   C8y C     2.1862    0.6517
            4   N5x N     1.5345   -0.7276
            5   C1y C     0.0690    0.3000
            6   C8x C     1.1103    1.3724
            7   N5x N     1.9655    1.3690
            8   C8y C     2.9241    0.3207
            9   C8y C     2.3138   -1.0690
            10  O2x O    -0.6000    0.8069
            11  C1y C    -0.1862   -0.4379
            12  N4x N     3.0207   -0.5552
            13  O5x O     3.5793    0.8103
            14  N1a N     2.4035   -1.8862
            15  C1y C    -1.2517    0.3345
            16  C1y C    -1.0035   -0.4379
            17  O1a O     0.2931   -1.1035
            18  C1b C    -2.0310    0.5931
            19  O1a O    -1.2621   -1.2138
            20  O2b O    -2.6483    0.0414
            21  P1b P    -3.4690    0.0414
            22  O1c O    -3.4724   -0.7793
            23  O1c O    -4.2897    0.0414
            24  O3b O    -3.4724    0.8621
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   15  18 1 #Up
            18   16  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24    6   7 2
            25    9  12 1
            26   15  16 1


entry: C00145
name: --- - Thiol - Mercaptan
formula: HSR
kcf:
ATOM        2
            1   R   R     4.2935  -12.1000
            2   S1a S     5.1190  -12.1000
BOND        1
            1     1   2 1


entry: C00146
name: --- - Phenol - Benzenol - Hydroxybenzene - Phenic acid - Phenylic acid
formula: C6H6O
kcf:
ATOM        7
            1   C8y C    24.5637  -18.4566
            2   C8x C    23.3622  -19.1533
            3   C8x C    25.7843  -19.1533
            4   O1a O    24.5637  -17.0698
            5   C8x C    23.3622  -20.5592
            6   C8x C    25.7843  -20.5592
            7   C8x C    24.5637  -21.2686
BOND        7
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     6   7 1


entry: C00147
name: --- - Adenine - 6-Aminopurine
formula: C5H5N5
kcf:
ATOM        10
            1   C8y C    13.0900  -16.9400
            2   C8y C    13.0900  -18.3400
            3   N5x N    14.3024  -19.0400
            4   C8x C    15.5149  -18.3400
            5   N5x N    15.5149  -16.9400
            6   C8y C    14.3024  -16.2400
            7   N5x N    11.7585  -16.5074
            8   C8x C    10.9356  -17.6400
            9   N4x N    11.7585  -18.7726
            10  N1a N    14.3024  -14.8402
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    6  10 1


entry: C00148
name: --- - L-Proline - 2-Pyrrolidinecarboxylic acid
formula: C5H9NO2
kcf:
ATOM        8
            1   C1y C    25.4916  -18.5732
            2   C6a C    24.2827  -17.8782
            3   C1x C    27.6114  -18.5732
            4   N1x N    25.4916  -19.7936
            5   O6a O    23.0739  -18.5732
            6   O6a O    24.2827  -16.4766
            7   C1x C    27.6114  -19.7936
            8   C1x C    26.5544  -20.4068
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     7   8 1


entry: C00149
name: --- - (S)-Malate - L-Malate - L-Apple acid - L-Malic acid - L-2-Hydroxybutanedioic acid
formula: C4H6O5
kcf:
ATOM        9
            1   C1c C    25.0942  -18.6205
            2   C1b C    26.2953  -19.3132
            3   C6a C    23.8998  -19.3132
            4   O1a O    25.0942  -17.2355
            5   C6a C    27.4897  -18.6205
            6   O6a O    22.7052  -18.6143
            7   O6a O    23.8360  -20.8303
            8   O6a O    28.6842  -19.3132
            9   O6a O    27.4834  -17.2355
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 2


entry: C00151
name: --- - L-Amino acid - L-2-Amino acid
formula: C2H4NO2R
kcf:
ATOM        6
            1   C1c C    21.5154  -15.8226
            2   C6a C    22.7246  -16.5174
            3   N1a N    20.2994  -16.5174
            4   R   R    21.5154  -14.3503
            5   O6a O    22.7246  -18.0597
            6   O6a O    23.9406  -15.8226
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2


entry: C00152
name: --- - L-Asparagine - 2-Aminosuccinamic acid
formula: C4H8N2O3
kcf:
ATOM        9
            1   C1c C    -0.3069   -0.0483
            2   C1b C     0.4000    0.3586
            3   C6a C    -1.0586    0.2793
            4   N1a N    -0.2655   -0.9448
            5   C5a C     1.1035   -0.0552
            6   O6a O    -1.7345   -0.1862
            7   O6a O    -1.1035    1.0931
            8   N1a N     1.8483    0.3552
            9   O5a O     1.1138   -0.8483
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 2


entry: C00153
name: --- - Nicotinamide - Nicotinic acid amide - Niacinamide - Vitamin PP
formula: C6H6N2O
kcf:
ATOM        9
            1   C8y C    25.1300  -17.0100
            2   C8x C    23.8700  -16.3100
            3   C8x C    25.1300  -18.4100
            4   C5a C    26.3200  -16.3100
            5   C8x C    22.6800  -17.0100
            6   N5x N    23.8700  -19.1100
            7   N1a N    27.5100  -17.0100
            8   O5a O    26.3200  -14.9100
            9   C8x C    22.6800  -18.4100
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2


entry: C00154
name: --- - Palmitoyl-CoA - Hexadecanoyl-CoA
formula: C37H66N7O17P3S
kcf:
ATOM        65
            1   N4y N    -0.3310    2.3034
            2   C1y C    -0.6345    1.0345
            3   C8y C    -1.6069    2.3034
            4   C8x C    -0.3276    3.0414
            5   O2x O    -1.2345    1.4724
            6   C1y C    -0.8552    0.3517
            7   C8y C    -1.6069    3.0414
            8   N5x N    -2.2448    1.9310
            9   N5x N    -0.9655    3.4138
            10  C1y C    -1.8310    1.0483
            11  C1y C    -1.6000    0.3517
            12  O1a O    -0.4241   -0.2379
            13  C8y C    -2.2448    3.4069
            14  C8x C    -2.8759    2.3034
            15  C1b C    -2.5138    1.2621
            16  O2b O    -1.9724   -0.1724
            17  N5x N    -2.8759    3.0414
            18  N1a N    -2.2483    4.1345
            19  O2b O    -3.5103    0.7897
            20  P1b P    -2.7483   -0.1690
            21  P1b P    -4.6759    0.7759
            22  O1c O    -2.7379    0.5724
            23  O1c O    -3.4034   -0.1621
            24  O3b O    -2.7552   -0.9000
            25  O2c O    -4.6759   -0.7690
            26  O1c O    -4.6862    1.4897
            27  O3b O    -5.4069    0.7897
            28  P1b P    -4.6724   -2.2552
            29  O2b O    -3.9310   -2.2552
            30  O1c O    -4.6828   -3.1172
            31  O3b O    -5.4483   -2.2586
            32  C1b C    -3.2828   -1.8759
            33  C1d C    -2.6517   -2.2414
            34  C1c C    -2.0172   -1.8759
            35  C1a C    -2.6379   -2.9759
            36  C1a C    -2.6793   -1.4724
            37  C5a C    -1.3862   -2.2414
            38  O1a O    -2.0172   -1.1483
            39  N1b N    -0.7552   -1.8759
            40  O5a O    -1.3862   -2.9724
            41  C1b C    -0.1241   -2.2414
            42  C1b C     0.5103   -1.8759
            43  C5a C     1.1414   -2.2414
            44  N1b N     1.7724   -1.8759
            45  O5a O     1.1414   -2.9724
            46  C1b C     2.4035   -2.2414
            47  C1b C     3.0345   -1.8759
            48  S2a S     3.6690   -2.2414
            49  C5a C     4.3000   -1.8759
            50  C1b C     4.9310   -2.2414
            51  O5a O     4.3000   -1.1448
            52  C1b C     5.5621   -1.8759
            53  C1b C     5.5621   -1.1448
            54  C1b C     6.1966   -0.7828
            55  C1b C     6.1966   -0.0517
            56  C1b C     6.8276    0.3138
            57  C1b C     6.8276    1.0414
            58  C1b C     6.1966    1.4069
            59  C1b C     6.1966    2.1379
            60  C1b C     5.5621    2.5000
            61  C1b C     4.9310    2.1379
            62  C1b C     4.3000    2.5000
            63  C1b C     3.6690    2.1379
            64  C1b C     3.0345    2.5000
            65  C1a C     2.4035    2.1379
BOND        67
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   63  64 1
            64   64  65 1
            65    7   9 1
            66   10  11 1
            67   14  17 1


entry: C00155
name: --- - L-Homocysteine - L-2-Amino-4-mercaptobutyric acid
formula: C4H9NO2S
kcf:
ATOM        8
            1   C1c C    -0.2310   -0.1483
            2   C1b C     0.6241    0.0621
            3   C6a C    -0.7621    0.3793
            4   N1a N    -0.6034   -0.8034
            5   C1b C     1.1448   -0.4759
            6   O6a O    -1.4828    0.1793
            7   O6a O    -0.5655    1.1035
            8   S1a S     1.8724   -0.2966
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1


entry: C00156
formula: C7H6O3
name:
--- 
- 4-Hydroxybenzoate
- Hydroxybenzoic acid
- 4-Hydroxybenzoic acid
- Hydroxybenzenecarboxylic acid

kcf:
ATOM        10
            1   C8y C     0.0000    0.3793
            2   C6a C    -0.0034    1.1310
            3   C8x C    -0.6517    0.0034
            4   C8x C     0.6586    0.0034
            5   O6a O    -0.6517    1.5035
            6   O6a O     0.6448    1.5069
            7   C8x C    -0.6517   -0.7517
            8   C8x C     0.6586   -0.7517
            9   C8y C     0.0000   -1.1379
            10  O1a O    -0.0034   -1.8862
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10    8   9 2


entry: C00157
formula: C10H18NO8PR2
name:
--- 
- Phosphatidylcholine
- Lecithin
- Phosphatidyl-N-trimethylethanolamine
- 1,2-Diacyl-sn-glycero-3-phosphocholine
- Choline phosphatide
- 3-sn-Phosphatidylcholine

kcf:
ATOM        22
            1   P1b P    22.3185  -17.9800
            2   O2b O    20.9987  -17.9800
            3   O2b O    23.6441  -17.9800
            4   O0  O    22.3126  -19.3173 #-
            5   O3b O    22.3243  -16.6602
            6   C1b C    19.6787  -17.9800
            7   C1b C    24.7888  -17.3260
            8   C1c C    19.6671  -16.1522
            9   C1b C    25.9334  -17.9800
            10  O7a O    18.1137  -16.1813
            11  C1b C    19.6787  -14.4409
            12  N1d N    27.0840  -17.3260 #+
            13  C7a C    16.7879  -16.1813
            14  O7a O    20.9987  -14.4409
            15  C1a C    28.8301  -17.8574
            16  C1a C    27.0840  -16.0062
            17  C1a C    27.4227  -18.6048
            18  O7a O    16.7763  -14.8555
            19  R   R    15.4681  -16.1813
            20  C7a C    22.3185  -14.4409
            21  O7a O    22.3126  -13.1211
            22  R   R    23.6441  -14.4409
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 2
            18   13  19 1
            19   14  20 1
            20   20  21 2
            21   20  22 1


entry: C00158
formula: C6H8O7
name:
--- 
- Citrate
- Citric acid
- 2-Hydroxy-1,2,3-propanetricarboxylic acid
- 2-Hydroxytricarballylic acid

kcf:
ATOM        13
            1   C1d C    28.0765  -18.7945
            2   C1b C    26.8653  -19.4908
            3   C1b C    29.2878  -19.4848
            4   C6a C    28.7670  -17.5773
            5   O1a O    27.3684  -17.5773
            6   C6a C    25.6598  -18.8003
            7   C6a C    29.2761  -20.8835
            8   O6a O    28.0589  -16.3603
            9   O6a O    30.1714  -17.5773
            10  O6a O    24.4487  -19.5025
            11  O6a O    25.7181  -17.4019
            12  O6a O    30.4874  -21.5856
            13  O6a O    28.0589  -21.5797
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2


entry: C00159
name: --- - D-Mannose - Mannose - Seminose - Carubinose
formula: C6H12O6
kcf:
ATOM        12
            1   C1y C    -0.5448    0.5276
            2   C1y C    -0.5448   -0.3000
            3   O2x O     0.1690    0.9414
            4   C1b C    -1.2621    0.9414
            5   C1y C     0.1690   -0.7138
            6   O1a O    -1.2621   -0.7138
            7   C1y C     0.8897    0.5276
            8   O1a O    -1.8897    0.4034
            9   C1y C     0.8897   -0.3000
            10  O1a O     0.1690   -1.5414
            11  O1a O     1.6035    0.9414
            12  O1a O     1.6035   -0.7138
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Either
            11    9  12 1 #Up
            12    7   9 1


entry: C00160
name: --- - Glycolate - Glycolic acid - Hydroxyacetic acid
formula: C2H4O3
kcf:
ATOM        5
            1   C6a C     0.2862    0.0000
            2   C1b C    -0.4276   -0.4172
            3   O6a O     1.0000   -0.4172
            4   O6a O     0.2862    0.8310
            5   O1a O    -1.1448    0.0000
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1


entry: C00161
name: --- - 2-Oxo acid - 2-Oxocarboxylate
formula: C2HO3R
kcf:
ATOM        6
            1   C6a C    22.7253  -16.5178
            2   C5a C    21.5147  -15.8222
            3   O6a O    22.7253  -17.9917
            4   O6a O    23.8661  -15.8157
            5   O5a O    21.5147  -14.5583
            6   R   R    20.3039  -16.5178
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1


entry: C00162
name: --- - Fatty acid
formula: CHO2R
kcf:
ATOM        4
            1   C6a C     0.0000    0.0000
            2   O6a O     0.7138   -0.4103
            3   O6a O     0.0000    0.8276
            4   R   R    -0.7103   -0.4172
BOND        3
            1     1   2 1
            2     1   3 2
            3     1   4 1


entry: C00163
name: --- - Propanoate - Propionate - Propanoic acid - Propionic acid
formula: C3H6O2
kcf:
ATOM        5
            1   C6a C    24.7142  -18.7600
            2   C1b C    25.9258  -19.4624
            3   O6a O    23.5027  -19.4624
            4   O6a O    24.7142  -17.3612
            5   C1a C    27.1373  -18.7600
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1


entry: C00164
name: --- - Acetoacetate - 3-Oxobutanoic acid - beta-Ketobutyric acid - Acetoacetic acid
formula: C4H6O3
kcf:
ATOM        7
            1   C5a C    -0.7138    0.0621
            2   C1b C     0.0034    0.4724
            3   C1a C    -1.4276    0.4793
            4   O5a O    -0.7172   -0.7621
            5   C6a C     0.7138    0.0552
            6   O6a O     0.7103   -0.7690
            7   O6a O     1.4310    0.4655
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     5   7 2


entry: C00165
name: --- - Diacylglycerol - Diglyceride
formula: C5H6O5R2
kcf:
ATOM        12
            1   C1c C    -0.3586    0.2069
            2   C1b C     0.3586    0.6207
            3   O7a O    -0.3586   -0.6207
            4   C1b C    -1.0759    0.6207
            5   O7a O     1.0759    0.2069
            6   C7a C    -1.0759   -1.0379
            7   O1a O    -1.7862    0.2069
            8   C7a C     1.7931    0.6241
            9   O7a O    -1.7897   -0.6207
            10  R   R    -1.0759   -1.8690
            11  O7a O     1.7862    1.4517
            12  R   R     2.5103    0.2103
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 2
            9     6  10 1
            10    8  11 2
            11    8  12 1


entry: C00166
formula: C9H8O3
name:
--- 
- Phenylpyruvate
- Phenylpyruvic acid
- alpha-Ketohydrocinnamic acid
- keto-Phenylpyruvate
- 3-Phenyl-2-oxopropanoate

kcf:
ATOM        12
            1   C8y C    21.5177  -16.8621
            2   C1b C    21.5112  -15.4714
            3   C8x C    20.3128  -17.5607
            4   C8x C    22.7417  -17.5607
            5   C5a C    22.7160  -14.7665
            6   C8x C    20.3128  -18.9706
            7   C8x C    22.7417  -18.9706
            8   C6a C    22.7160  -13.3757
            9   O5a O    23.9272  -15.4651
            10  C8x C    21.5177  -19.6820
            11  O6a O    23.9209  -12.6773
            12  O6a O    21.5048  -12.6836
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    8  11 1
            11    8  12 2
            12    7  10 1


entry: C00167
name: --- - UDP-glucuronate - UDPglucuronate - UDP-D-glucuronate - UDP-alpha-D-glucuronate
formula: C15H22N2O18P2
kcf:
ATOM        37
            1   C1y C    28.3714  -18.2113
            2   N4y N    29.1608  -15.9844
            3   O2x O    27.2517  -17.3935
            4   C1y C    27.9688  -19.4883
            5   C8y C    27.9843  -15.2799
            6   C8x C    30.3685  -15.2799
            7   C1y C    26.1571  -18.1861
            8   C1y C    26.5973  -19.4883
            9   O1a O    28.7739  -20.5954
            10  N4x N    27.9843  -13.8960
            11  O5x O    26.7955  -15.9593
            12  C8x C    30.3685  -13.8960
            13  C1b C    24.8550  -17.7709
            14  O1a O    25.7985  -20.6018
            15  C8y C    29.1670  -13.2103
            16  O2b O    24.5655  -16.4312
            17  O5x O    29.1608  -12.0554
            18  P1b P    23.1942  -16.4312
            19  O2c O    21.8229  -16.4312
            20  O1c O    23.1942  -14.9897
            21  O3b O    23.1880  -17.8661
            22  P1b P    20.4578  -16.4312
            23  O2b O    19.0865  -16.4248
            24  O1c O    20.4578  -14.9897
            25  O3b O    20.4578  -17.8661
            26  C1y C    17.7214  -16.4248
            27  O2x O    17.0358  -15.2296
            28  C1y C    17.0358  -17.6263
            29  C1y C    15.6518  -15.2422
            30  C1y C    15.6644  -17.6327
            31  O1a O    17.7214  -18.8089
            32  C1y C    14.9598  -16.4438
            33  C6a C    14.9598  -14.0597
            34  O1a O    14.9914  -18.8215
            35  O1a O    13.5949  -16.4500
            36  O6a O    15.6330  -12.8706
            37  O6a O    13.5885  -14.0721
BOND        39
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   26  23 1 #Down
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1
            36   33  37 2
            37    7   8 1
            38   12  15 1
            39   30  32 1


entry: C00168
name: --- - Hydroxypyruvate - Hydroxypyruvic acid - 3-Hydroxypyruvate - 3-Hydroxypyruvic acid
formula: C3H4O4
kcf:
ATOM        7
            1   C5a C    22.1473  -16.1924
            2   C6a C    22.1602  -14.7966
            3   C1b C    20.9252  -16.8805
            4   O5a O    23.3501  -16.9062
            5   O6a O    23.3822  -14.1019
            6   O6a O    20.9509  -14.0762
            7   O1a O    20.9509  -18.3400
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1


entry: C00169
name: --- - Carbamoyl phosphate
formula: CH4NO5P
kcf:
ATOM        8
            1   P1b P    23.3163  -16.5876
            2   O7a O    21.9132  -16.5941
            3   O1c O    24.7712  -16.5812
            4   O1c O    23.3100  -15.2102
            5   O3b O    23.3229  -18.0221
            6   C7a C    20.7030  -15.8988
            7   N1a N    19.4865  -16.5941
            8   O7a O    20.7030  -14.4956
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 2


entry: C00170
formula: C11H15N5O3S
name:
--- 
- 5'-Methylthioadenosine
- Methylthioadenosine
- S-Methyl-5'-thioadenosine
- 5-Methylthioadenosine
- 5'-Deoxy-5'-(methylthio)adenosine
- Thiomethyladenosine
- MTA

kcf:
ATOM        20
            1   N4y N     1.5586    0.5793
            2   C8y C     0.2310    0.5793
            3   C1y C     1.1103   -0.7966
            4   C8x C     1.5586    1.3448
            5   C8y C     0.2310    1.3448
            6   N5x N    -0.4379    0.1828
            7   O2x O     0.4724   -0.3379
            8   C1y C     0.8793   -1.5172
            9   N5x N     0.8931    1.7345
            10  C8y C    -0.4414    1.7345
            11  C8x C    -1.1103    0.5759
            12  C1y C    -0.1517   -0.7793
            13  C1y C     0.1000   -1.5172
            14  O1a O     1.3310   -2.1448
            15  N5x N    -1.1138    1.3448
            16  N1a N    -0.4414    2.5000
            17  C1b C    -0.8828   -0.5517
            18  O1a O    -0.3414   -2.1448
            19  S2a S    -1.3483   -1.1690
            20  C1a C    -2.0931   -0.9655
BOND        22
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20    5   9 1
            21   11  15 1
            22   12  13 1


entry: C00171
name: --- - 5'-Phosphomononucleotide
formula: C5H10O7PR
kcf:
ATOM        14
            1   P1b P    -1.7655   -0.0034
            2   O2b O    -0.9655   -0.0069
            3   O1c O    -2.5586   -0.0034
            4   O1c O    -1.7621    0.7862
            5   O3b O    -1.7655   -0.8000
            6   C1b C    -0.3793    0.5241
            7   C1y C     0.3793    0.2724
            8   C1y C     0.6207   -0.4862
            9   O2x O     1.0172    0.7379
            10  C1y C     1.4172   -0.4862
            11  O1a O     0.1483   -1.1276
            12  C1y C     1.6655    0.2724
            13  O1a O     1.8897   -1.1276
            14  R   R     2.0517    1.4517
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     7   6 1 #Up
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 1 #Down
            11    9  12 1
            12   10  13 1 #Down
            13   12  14 1 #Up
            14   10  12 1


entry: C00172
name: --- - 3'-Phosphooligonucleotide
formula: C10H19O16P3R2(C5H8O6PR)n
kcf:
ATOM        44
            1   C1y C     0.2379    0.2828
            2   C1y C     0.0138    0.9897
            3   C1y C     0.9828    0.2828
            4   O2b O    -0.5552   -1.0690
            5   O2x O     0.6138    1.4207
            6   C1b C    -0.6828    1.2241
            7   C1y C     1.2103    0.9897
            8   O1a O     1.6035   -0.3034
            9   P1b P     0.9759   -1.8655
            10  O2b O    -1.2345    0.7310
            11  R   R     1.5759    2.0897
            12  O2b O     1.9379   -2.4241
            13  O1c O     1.3448   -1.2241
            14  O3b O     0.5828   -2.6897
            15  P1b P    -1.9345    0.9621
            16  C1b C     2.4897   -1.9276
            17  O2b O    -3.1552    1.3276
            18  O1c O    -1.7276    1.6690
            19  O3b O    -2.3310    0.0207
            20  C1y C     3.1966   -2.1621
            21  C1y C    -2.5655    2.3310
            22  C1y C     3.4172   -2.8655
            23  O2x O     3.7862   -1.7276
            24  C1y C    -2.7897    3.0345
            25  C1y C    -1.8241    2.3310
            26  C1y C     4.1586   -2.8655
            27  O2b O     2.9828   -3.4655
            28  C1y C     4.3897   -2.1621
            29  O2x O    -2.2000    3.4621
            30  C1b C    -3.4897    3.2655
            31  C1y C    -1.5966    3.0345
            32  O1a O    -0.8034    1.9828
            33  O1a O     4.5966   -3.4655
            34  P1b P     2.9793   -4.2000
            35  R   R     4.7483   -1.0655
            36  O2b O    -4.0448    2.7724
            37  R   R    -1.2345    4.1276
            38  O1c O     2.2414   -4.1966
            39  O1c O     3.7172   -4.2000
            40  O3b O     2.9793   -4.9414
            41  P1b P    -4.7793    2.7724
            42  O1c O    -5.5241    2.7724
            43  O1c O    -4.7793    3.5138
            44  O3b O    -4.7828    2.0379
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1 #Up
            11    9  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 2
            19   20  16 1 #Up
            20   21  17 1 #Down
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Down
            27   23  28 1
            28   24  29 1
            29   24  30 1 #Up
            30   25  31 1
            31   25  32 1 #Down
            32   26  33 1 #Down
            33   27  34 1
            34   28  35 1 #Up
            35   30  36 1
            36   31  37 1 #Up
            37   34  38 1
            38   34  39 1
            39   34  40 2
            40   36  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 2
            44    5   7 1
            45   26  28 1
            46   29  31 1


entry: C00173
name: --- - Acyl-[acyl-carrier protein] - Long-chain-acyl-[acyl-carrier protein]
formula: C3H4OSR2
kcf:
ATOM        7
            1   R   R     3.1708   -7.3042
            2   C1b C     3.8875   -6.8875
            3   C1b C     4.6000   -7.3000
            4   C5a C     5.3167   -6.8833
            5   S2a S     6.0333   -7.2958
            6   R   R     6.8625   -7.2958
            7   O5a O     5.3125   -6.0542
BOND        6
            1     3   4 1
            2     4   5 1
            3     2   3 1
            4     5   6 1
            5     1   2 1
            6     4   7 2


entry: C00176
name: --- - Flavin
formula: C12H9N4O2R
kcf:
ATOM        19
            1   C8y C    20.9222  -15.3275
            2   C8y C    20.9222  -16.7029
            3   N5x N    22.1156  -14.6241
            4   C8y C    19.7226  -14.6429
            5   N4y N    22.1281  -17.4001
            6   N5x N    19.7226  -17.4063
            7   C8y C    23.3277  -15.3150
            8   N4x N    18.5418  -15.3275
            9   O5x O    19.7162  -13.3437
            10  C8y C    23.3341  -16.7847
            11  R   R    22.1218  -19.0771
            12  C8y C    18.5418  -16.7029
            13  C8x C    24.5273  -14.5990
            14  C8x C    24.5588  -17.4063
            15  O5x O    17.3548  -17.3812
            16  C8y C    25.7520  -15.2898
            17  C8y C    25.7332  -16.6716
            18  C1a C    26.9266  -14.5926
            19  C1a C    26.9643  -17.3750
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   10  14 1
            14   12  15 2
            15   13  16 2
            16   14  17 2
            17   16  18 1
            18   17  19 1
            19    7  10 2
            20    8  12 1
            21   16  17 1


entry: C00177
name: --- - Cyanide - Prussiate - CN- - Cyano
formula: CN
kcf:
ATOM        2
            1   N3a N    -0.3310   -0.2448
            2   C3b C     0.3310    0.2448 #-
BOND        1
            1     1   2 3


entry: C00178
name: --- - Thymine
formula: C5H6N2O2
kcf:
ATOM        9
            1   C8y C     0.0034    0.6448
            2   C8y C     0.7138    0.2310
            3   N4x N    -0.7138    0.2345
            4   O5x O     0.0034    1.4724
            5   C8x C     0.7138   -0.6000
            6   C1a C     1.4310    0.6414
            7   C8y C    -0.7138   -0.5966
            8   N4x N    -0.0034   -1.0138
            9   O5x O    -1.4345   -1.0069
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   9 2
            9     7   8 1


entry: C00179
name: --- - Agmatine - (4-Aminobutyl) guanidine
formula: C5H14N4
kcf:
ATOM        9
            1   C1b C    26.2736  -25.9937
            2   N1b N    27.6683  -25.3048
            3   C1b C    25.0856  -25.3048
            4   C2c C    28.7939  -25.9937
            5   C1b C    23.8910  -25.9937
            6   N1a N    29.9821  -25.3048
            7   N2a N    28.7939  -27.4402
            8   C1b C    22.7028  -25.3048
            9   N1a N    21.5083  -25.9937
BOND        8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 2
            7     5   8 1
            8     8   9 1


entry: C00180
name: --- - Benzoate - Benzoic acid - Benzenecarboxylic acid - Phenylformic acid - Dracylic acid
formula: C7H6O2
kcf:
ATOM        9
            1   C8y C    21.2100  -16.9763
            2   C8x C    20.0003  -17.6676
            3   C8x C    22.4262  -17.6676
            4   C6a C    21.2037  -15.5809
            5   C8x C    20.0003  -19.0759
            6   C8x C    22.4262  -19.0759
            7   O6a O    22.4069  -14.8832
            8   O6a O    19.9938  -14.8897
            9   C8x C    21.2100  -19.7863
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     6   9 1


entry: C00181
name: --- - D-Xylose - Wood sugar
formula: C5H10O5
kcf:
ATOM        10
            1   C1y C    24.8846  -19.3858
            2   C1y C    26.0999  -18.6904
            3   C1y C    23.6692  -18.6904
            4   O1a O    24.8846  -20.7879
            5   C1y C    26.0999  -17.2941
            6   O1a O    27.3153  -19.3858
            7   C1x C    23.6692  -17.2941
            8   O1a O    22.4598  -19.3858
            9   O2x O    24.8846  -16.5929
            10  O1a O    27.3153  -16.5929
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     5   9 1
            9     5  10 1 #Either
            10    7   9 1


entry: C00182
name: --- - Glycogen
formula: C24H42O21
kcf:
ATOM        45
            1   C1y C    20.9683  -19.5377
            2   C1y C    21.4743  -18.1533
            3   O2a O    19.6815  -20.1812
            4   C1y C    21.8958  -20.5451
            5   O2x O    22.8854  -17.9270
            6   C1b C    20.3501  -16.7295
            7   C1y C    18.3636  -19.7331
            8   C1y C    23.2270  -20.3144
            9   O1a O    21.4566  -21.8807
            10  C1y C    23.7418  -19.0453
            11  O2a O    21.3223  -15.7369
            12  O2x O    17.8488  -18.4417
            13  C1y C    17.4717  -20.8557
            14  O1a O    24.1057  -21.3971
            15  O2a O    25.1618  -19.2316
            16  C1y C    20.4172  -14.6764
            17  C1y C    16.4467  -18.2643
            18  C1y C    16.1183  -20.6693
            19  O1a O    18.1309  -21.8759
            20  C1y C    26.2489  -18.3663
            21  O2x O    20.8831  -13.3673
            22  C1y C    19.0460  -14.9338
            23  C1y C    15.5813  -19.3913
            24  C1b C    15.6198  -17.2707
            25  O1a O    15.2619  -21.7832
            26  C1y C    26.3244  -16.9685
            27  C1y C    27.4515  -19.0897
            28  C1y C    19.9778  -12.3068
            29  C1y C    18.1407  -13.8820
            30  O1a O    18.6022  -16.1249
            31  O1a O    14.2012  -19.2360
            32  O1a O    16.0661  -16.4167
            33  O2x O    27.5757  -16.3162
            34  C1b C    25.1273  -15.9687
            35  C1y C    28.6496  -18.4684
            36  O1a O    27.3982  -20.4963
            37  C1y C    18.6022  -12.5641
            38  C1b C    20.6947  -10.7566
            39  O1a O    16.7741  -14.1660
            40  C1y C    28.7384  -17.0706
            41  O1a O    25.5577  -14.8385
            42  O1a O    29.8078  -19.2360
            43  O1a O    17.6482  -11.5035
            44  O1a O    19.8451   -9.9337
            45  O1a O    29.9286  -16.4404
BOND        48
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Down
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Down
            15   16  11 1 #Down
            16   12  17 1
            17   13  18 1
            18   13  19 1 #Down
            19   20  15 1 #Down
            20   16  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 1 #Up
            24   18  25 1 #Up
            25   20  26 1
            26   20  27 1
            27   21  28 1
            28   22  29 1
            29   22  30 1 #Down
            30   23  31 1 #Down
            31   24  32 1
            32   26  33 1
            33   26  34 1 #Up
            34   27  35 1
            35   27  36 1 #Up
            36   28  37 1
            37   28  38 1 #Up
            38   29  39 1 #Up
            39   33  40 1
            40   34  41 1
            41   35  42 1 #Down
            42   37  43 1 #Down
            43   38  44 1
            44   40  45 1 #Down
            45    8  10 1
            46   18  23 1
            47   29  37 1
            48   35  40 1


entry: C00183
name: --- - L-Valine - 2-Amino-3-methylbutyric acid
formula: C5H11NO2
kcf:
ATOM        8
            1   C1c C    24.8500  -19.0764
            2   C1c C    26.0666  -18.3804
            3   C6a C    23.6334  -18.3629
            4   N1a N    24.8442  -20.4802
            5   C1a C    27.2716  -19.0881
            6   C1a C    26.0725  -16.9825
            7   O6a O    22.4226  -19.0589
            8   O6a O    23.6392  -16.9707
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2


entry: C00184
formula: C3H6O3
name:
--- 
- Glycerone
- Dihydroxyacetone
- 1,3-Dihydroxyacetone
- 1,3-Dihydroxy-2-propanone
- 1,3-Dihydroxypropan-2-one

kcf:
ATOM        6
            1   C5a C    21.4200  -17.0100
            2   C1b C    20.7223  -15.7948
            3   C1b C    20.7165  -18.2193
            4   O5a O    22.8212  -17.0157
            5   O1a O    21.4316  -14.5912
            6   O1a O    21.4143  -19.4346
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1


entry: C00185
name: --- - Cellobiose - 1-beta-D-Glucopyranosyl-4-D-glucopyranose
formula: C12H22O11
kcf:
ATOM        23
            1   C1y C     0.9000    0.5310
            2   C1y C     0.9000    1.3586
            3   O2a O     0.1828    0.1207
            4   C1y C     1.6103    0.1207
            5   O2x O     1.6103    1.7759
            6   C1b C     0.1828    1.7759
            7   C1y C    -0.5379   -0.2966
            8   C1y C     2.3310    0.5310
            9   O1a O     1.6103   -0.7069
            10  C1y C     2.3310    1.3586
            11  O1a O    -0.4483    1.2379
            12  O2x O    -1.2586    0.1172
            13  C1y C    -0.5379   -1.1241
            14  O1a O     3.0448    0.1207
            15  O1a O     3.0448    1.7759
            16  C1y C    -1.9724   -0.3000
            17  C1y C    -1.2586   -1.5379
            18  O1a O     0.1793   -1.5379
            19  C1y C    -1.9724   -1.1241
            20  C1b C    -2.6862    0.1172
            21  O1a O    -1.2552   -2.3655
            22  O1a O    -2.6862   -1.5379
            23  O1a O    -3.3172   -0.4172
BOND        24
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Either
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    8  10 1
            24   17  19 1


entry: C00186
name: --- - (S)-Lactate - L-Lactate - L-Lactic acid
formula: C3H6O3
kcf:
ATOM        6
            1   C1c C     0.2172   -0.3517
            2   C6a C    -0.2172    0.3552
            3   C1a C    -0.1793   -1.0793
            4   O1a O     1.0414   -0.3310
            5   O6a O    -1.0414    0.3310
            6   O6a O     0.1828    1.0793
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2


entry: C00187
name: --- - Cholesterol - Cholest-5-en-3beta-ol
formula: C27H46O
kcf:
ATOM        28
            1   C1y C    26.9810  -18.8588
            2   C1y C    25.8103  -19.5344
            3   C1z C    26.9810  -17.5075
            4   C1x C    29.3223  -18.8588
            5   C1y C    24.6454  -18.8588
            6   C1x C    25.8044  -20.8857
            7   C1y C    28.1634  -16.8320
            8   C1x C    25.8103  -16.8320
            9   C1a C    26.9751  -16.1563
            10  C1x C    29.3223  -17.5075
            11  C1z C    23.4631  -19.5344
            12  C1x C    24.6454  -17.5075
            13  C2x C    24.6454  -21.5613
            14  C1c C    28.1634  -15.4807
            15  C2y C    23.4631  -20.8857
            16  C1x C    22.2983  -18.8588
            17  C1a C    23.4514  -18.1832
            18  C1b C    29.3573  -14.7934
            19  C1a C    26.9634  -14.7877
            20  C1x C    22.2983  -21.5613
            21  C1x C    21.1276  -19.5344
            22  C1b C    30.5513  -15.4864
            23  C1y C    21.1276  -20.8857
            24  C1b C    31.7453  -14.7934
            25  O1a O    19.9453  -21.5613
            26  C1c C    32.9451  -15.4864
            27  C1a C    34.1391  -14.7992
            28  C1a C    32.9393  -17.0763
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1


entry: C00188
name: --- - L-Threonine - 2-Amino-3-hydroxybutyric acid
formula: C4H9NO3
kcf:
ATOM        8
            1   O6a O    22.5407  -18.2704
            2   C6a C    23.7531  -17.5704
            3   C1c C    24.9657  -18.2704
            4   C1c C    26.1781  -17.5704
            5   C1a C    27.3906  -18.2704
            6   O6a O    23.7531  -16.1705
            7   N1a N    24.9657  -19.6703
            8   O1a O    26.1781  -16.1703
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     3   7 1 #Down
            7     4   8 1 #Down


entry: C00189
name: --- - Ethanolamine - Aminoethanol - 2-Hydroxyethylamine
formula: C2H7NO
kcf:
ATOM        4
            1   C1b C    25.6678  -17.3607
            2   C1b C    24.4522  -16.6593
            3   N1a N    26.8775  -16.6593
            4   O1a O    23.2425  -17.3607
BOND        3
            1     1   2 1
            2     1   3 1
            3     2   4 1


entry: C00190
name: --- - UDP-D-xylose - UDP-xylose - UDP-alpha-D-xylose
formula: C14H22N2O16P2
kcf:
ATOM        34
            1   C1y C    27.9951  -18.2175
            2   N4y N    29.0636  -15.9926
            3   O2x O    26.8702  -17.4006
            4   C1y C    27.5867  -19.4934
            5   C8y C    27.8821  -15.2887
            6   C8x C    30.2642  -15.2887
            7   C1y C    25.7828  -18.1862
            8   C1y C    26.2228  -19.4934
            9   O1a O    28.3974  -20.5996
            10  N4x N    27.8821  -13.9060
            11  O5x O    26.6941  -15.9676
            12  C8x C    30.2642  -13.9060
            13  C1b C    24.4756  -17.7713
            14  O1a O    25.4246  -20.6059
            15  C8y C    29.0699  -13.2211
            16  O2b O    24.1865  -16.4390
            17  O5x O    29.0636  -11.9972
            18  P1b P    22.8164  -16.4326
            19  O2c O    21.4525  -16.4326
            20  O1c O    22.8226  -14.9987
            21  O3b O    22.8164  -17.8029
            22  P1b P    20.0824  -16.4326
            23  O2b O    18.7121  -16.4264
            24  O1c O    20.0824  -14.9987
            25  O3b O    20.0824  -17.8029
            26  C1y C    17.5243  -17.1113
            27  C1y C    17.5243  -18.4752
            28  O2x O    16.3301  -16.4264
            29  C1y C    16.3301  -19.1666
            30  O1a O    18.7121  -19.1666
            31  C1x C    15.1486  -17.1113
            32  C1y C    15.1486  -18.4752
            33  O1a O    16.3301  -20.6705
            34  O1a O    13.9796  -19.1666
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   29  33 1 #Up
            33   32  34 1 #Down
            34    7   8 1
            35   12  15 1
            36   31  32 1


entry: C00191
name: --- - D-Glucuronate - Glucuronic acid - Glucuronate
formula: C6H10O7
kcf:
ATOM        13
            1   C1y C    25.0081  -18.3696
            2   C1y C    25.0081  -19.7686
            3   O2x O    26.2088  -17.6643
            4   C6a C    23.7956  -17.7343
            5   C1y C    26.2088  -20.4623
            6   O1a O    23.7956  -20.4623
            7   C1y C    27.4271  -18.3696
            8   O6a O    22.7289  -18.6436
            9   O6a O    23.7839  -16.2770
            10  C1y C    27.4271  -19.7686
            11  O1a O    26.2088  -21.8613
            12  O1a O    28.6337  -17.6643
            13  O1a O    28.6337  -20.4623
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Up
            11    7  12 1 #Either
            12   10  13 1 #Down
            13    7  10 1


entry: C00192
name: --- - Hydroxylamine
formula: NH3O
kcf:
ATOM        2
            1   N1a N    21.5130  -16.5187
            2   O1b O    22.7270  -15.8213
BOND        1
            1     1   2 1


entry: C00194
formula: C72H105CoN18O17P
name:
--- 
- Cobamide coenzyme
- Adenosylcobalamin
- Deoxyadenosylcobalamin
- Cobamamide
- Vitamin B12 coenzyme
- 5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide
- (5'-Deoxy-5'-adenosyl)cobamide coenzyme
- (5,6-Dimethylbenzimidazolyl)cobamide coenzyme
- alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme
- 5'-Deoxy-5'-adenosylcobalamin
- 5'-Deoxy-5'-adenosyl vitamin B12
- 5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide
- 5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide
- Calomide
- Cobalamin coenzyme
- Coenzyme B12
- DMBC coenzyme
- Dibencozide
- Funacomide

kcf:
ATOM        109
            1   Z   Co   -0.4379    1.2793 #3+
            2   N1y N    -1.0483    1.8586
            3   N1y N    -1.0483    0.6379
            4   N1y N     0.1931    1.8379
            5   N1y N     0.1793    0.6517
            6   N4y N     0.1793   -2.6310
            7   C1b C     1.5897    1.2828
            8   C1z C    -1.6103    1.7690
            9   C2y C    -0.9483    2.4172
            10  C1y C    -1.6103    0.7207
            11  C2y C    -0.9552    0.0759
            12  C2y C     0.0724    2.4000
            13  C2y C     0.7655    1.7862
            14  C2y C     0.0793    0.0966
            15  C2y C     0.7517    0.7276
            16  C8y C     0.7138   -2.8000
            17  C8x C    -0.1483   -3.0862
            18  C1y C     2.1483    1.0931
            19  C1z C    -1.8690    2.2828
            20  C1a C    -2.1690    1.6172
            21  C1y C    -1.4586    2.6828
            22  C2y C    -0.4345    2.6103
            23  C1y C    -1.8690    0.2138
            24  C1z C    -1.4586   -0.1897
            25  C2y C    -0.4345   -0.1241
            26  C1z C     0.5690    2.6828
            27  C1y C     0.9931    2.3069
            28  C2x C     0.9759    1.2586
            29  C1y C     0.5759   -0.1759
            30  C1z C     0.9931    0.2138
            31  C8y C     0.7103   -3.3621
            32  C8x C     1.1966   -2.5241
            33  N4y N     0.1793   -3.5379
            34  O2x O     2.6172    1.4345
            35  C1y C     2.3310    0.5414
            36  C1b C    -2.4379    2.2862
            37  C1a C    -2.0207    2.8379
            38  C1b C    -1.4483    3.2517
            39  C1a C    -0.4379    3.1862
            40  C1b C    -2.4828    0.1552
            41  C1b C    -1.4655   -0.7552
            42  C1a C    -0.9172   -0.3310
            43  C1a C    -0.4379   -0.6931
            44  C1b C     0.5655    3.2586
            45  C1a C     0.0172    2.8310
            46  C1b C     1.5655    2.3103
            47  C1b C     0.6345   -0.7448
            48  C1a C     1.5448    0.3586
            49  C1a C     1.2034   -0.3241
            50  C8x C     1.1966   -3.6414
            51  C8y C     1.6828   -2.8000
            52  C1y C    -1.8103   -4.9586
            53  C1y C     3.1000    1.0724
            54  C1y C     2.9172    0.5414
            55  O1a O     2.1414   -0.0172
            56  C5a C    -2.7172    2.7793
            57  C1b C    -1.9379    3.5379
            58  C5a C    -2.6828   -0.3724
            59  C1b C    -1.9621   -1.0414
            60  C5a C     1.0586    3.5448
            61  C1b C     1.8414    2.8069
            62  C1b C     1.1517   -0.9793
            63  C8y C     1.6828   -3.3621
            64  C1a C     2.1690   -2.5241
            65  C1y C    -1.9793   -4.4207
            66  O2x O    -2.2966   -5.2345
            67  N4y N     3.6448    1.2483
            68  O1a O     3.1966    0.0586
            69  N1a N    -3.2862    2.7862
            70  O5a O    -2.4310    3.2690
            71  C5a C    -1.9310    4.1103
            72  N1a N    -3.2448   -0.4655
            73  O5a O    -2.3241   -0.8069
            74  C5a C    -1.9655   -1.6138
            75  N1a N     1.0552    4.1172
            76  O5a O     1.5552    3.2621
            77  C5a C     2.4138    2.8103
            78  C5a C     1.2069   -1.5448
            79  C1a C     2.1690   -3.6414
            80  C1y C    -2.5448   -4.4138
            81  O1a O    -1.6448   -3.9724
            82  C1y C    -2.7172   -4.9448
            83  C8y C     4.0966    0.9345
            84  C8x C     3.8483    1.8414
            85  N1a N    -2.4241    4.3966
            86  O5a O    -1.4345    4.3897
            87  N1b N    -2.4586   -1.9000
            88  O5a O    -1.4793   -1.9035
            89  N1a N     2.6966    3.3069
            90  O5a O     2.7034    2.3138
            91  N1a N     0.7414   -1.8724
            92  O5a O     1.7310   -1.7828
            93  O2b O    -2.8690   -3.9552
            94  C1b C    -3.2931   -5.1379
            95  C8y C     4.6207    1.3207
            96  N5x N     4.1517    0.3310
            97  N5x N     4.4621    1.8379
            98  C1b C    -2.4586   -2.4897
            99  P1b P    -3.4931   -3.6793
            100 O1a O    -3.4103   -5.7310
            101 C8y C     5.1552    1.0828
            102 C8x C     4.7172    0.0828
            103 C1c C    -2.9724   -2.7862
            104 O2b O    -2.9690   -3.3759
            105 O1c O    -4.0172   -3.3759
            106 O3b O    -3.9207   -4.1069
            107 N5x N     5.2241    0.4552
            108 N1a N     5.6241    1.4345
            109 C1a C    -3.4793   -2.4897
BOND        123
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     1   6 1
            6     1   7 1
            7     2   8 1
            8     2   9 2
            9     3  10 1
            10    3  11 1
            11    4  12 1
            12    4  13 2
            13    5  14 2
            14    5  15 1
            15    6  16 1
            16    6  17 2
            17   18   7 1 #Up
            18    8  19 1
            19    8  20 1 #Down
            20    9  21 1
            21    9  22 1
            22   10  23 1
            23   11  24 1
            24   11  25 2
            25   12  26 1
            26   13  27 1
            27   13  28 1
            28   14  29 1
            29   15  30 1
            30   16  31 2
            31   16  32 1
            32   17  33 1
            33   18  34 1
            34   18  35 1
            35   19  36 1 #Up
            36   19  37 1 #Down
            37   21  38 1 #Down
            38   22  39 1
            39   23  40 1 #Up
            40   24  41 1 #Down
            41   24  42 1 #Up
            42   25  43 1
            43   26  44 1 #Up
            44   26  45 1 #Down
            45   27  46 1 #Down
            46   29  47 1 #Down
            47   30  48 1
            48   30  49 1
            49   31  50 1
            50   32  51 2
            51   33  52 1
            52   34  53 1
            53   35  54 1
            54   35  55 1 #Down
            55   36  56 1
            56   38  57 1
            57   40  58 1
            58   41  59 1
            59   44  60 1
            60   46  61 1
            61   47  62 1
            62   50  63 2
            63   51  64 1
            64   52  65 1
            65   52  66 1 #Up
            66   53  67 1 #Up
            67   54  68 1 #Down
            68   56  69 1
            69   56  70 2
            70   57  71 1
            71   58  72 1
            72   58  73 2
            73   59  74 1
            74   60  75 1
            75   60  76 2
            76   61  77 1
            77   62  78 1
            78   63  79 1
            79   65  80 1
            80   65  81 1
            81   82  66 1 #Up
            82   67  83 1
            83   67  84 1
            84   71  85 1
            85   71  86 2
            86   74  87 1
            87   74  88 2
            88   77  89 1
            89   77  90 2
            90   78  91 1
            91   78  92 2
            92   80  93 1
            93   82  94 1
            94   83  95 2
            95   83  96 1
            96   84  97 2
            97   87  98 1
            98   93  99 1
            99   94 100 1
            100  95 101 1
            101  96 102 2
            102  98 103 1
            103  99 104 1
            104  99 105 1
            105  99 106 2
            106 101 107 2
            107 101 108 1
            108 103 109 1
            109   8  10 1
            110  12  22 2
            111  14  25 1
            112  15  28 2
            113  19  21 1
            114  23  24 1
            115  26  27 1
            116  29  30 1
            117  31  33 1
            118  51  63 1
            119  53  54 1
            120  80  82 1
            121  95  97 1
            122 102 107 1
            123 103 104 1


entry: C00195
name: --- - N-Acylsphingosine - Ceramide
formula: C19H36NO3R
kcf:
ATOM        24
            1   C1c C    -3.9241   -0.0414
            2   C1c C    -3.2345   -0.4241
            3   N1b N    -3.9310    0.7448
            4   C1b C    -4.6000   -0.4414
            5   C2b C    -2.5552   -0.0276
            6   O1a O    -3.2276   -1.2138
            7   C5a C    -3.2586    1.1448
            8   O1a O    -5.2828   -0.0552
            9   C2b C    -1.8724   -0.4103
            10  O5a O    -3.2655    1.9276
            11  R   R    -2.5759    0.7586
            12  C1b C    -1.1931   -0.0138
            13  C1b C    -0.5069   -0.3966
            14  C1b C     0.1724    0.0000
            15  C1b C     0.8552   -0.3828
            16  C1b C     1.5379    0.0138
            17  C1b C     2.2207   -0.3690
            18  C1b C     2.9000    0.0310
            19  C1b C     3.5862   -0.3552
            20  C1b C     4.2655    0.0448
            21  C1b C     4.9517   -0.3414
            22  C1b C     5.6276    0.0586
            23  C1b C     6.3172   -0.3276
            24  C1a C     6.9931    0.0724
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1


entry: C00196
name: --- - 2,3-Dihydroxybenzoate - 2,3-Dihydroxybenzoic acid
formula: C7H6O4
kcf:
ATOM        11
            1   C8y C    -0.2379    0.2759
            2   C8y C     0.4207   -0.1000
            3   C6a C    -0.2414    1.0276
            4   C8x C    -0.8897   -0.1000
            5   C8y C     0.4207   -0.8586
            6   O1a O     1.0690    0.2793
            7   O6a O     0.4069    1.4034
            8   O6a O    -0.8897    1.4000
            9   C8x C    -0.8897   -0.8586
            10  C8x C    -0.2379   -1.2414
            11  O1a O     1.0690   -1.2310
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    9  10 2


entry: C00197
name: --- - 3-Phospho-D-glycerate - D-Glycerate 3-phosphate - 3-Phospho-(R)-glycerate
formula: C3H7O7P
kcf:
ATOM        11
            1   P1b P     1.4414   -0.1172
            2   O2b O     0.6276   -0.1138
            3   O1c O     2.2724   -0.1310
            4   O1c O     1.4552    0.6724
            5   O3b O     1.4345   -0.8931
            6   C1b C    -0.1069    0.3103
            7   C1c C    -0.8379   -0.1138
            8   C6a C    -1.5690    0.3103
            9   O1a O    -0.8379   -0.9621
            10  O6a O    -2.3034   -0.1138
            11  O6a O    -1.5690    1.1552
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1 #Up
            9     8  10 1
            10    8  11 2


entry: C00198
formula: C6H10O6
name:
--- 
- D-Glucono-1,5-lactone
- Gluconic lactone
- Gluconic acid lactone
- 1,5-Gluconolactone
- delta-Gluconolactone
- D-Gluconolactone
- Glucarolactone
- D-Aldonolactone
- D-threo-Aldono-1,5-lactone

kcf:
ATOM        12
            1   C1y C    22.1850  -14.1680
            2   C1y C    20.9673  -13.4694
            3   O7x O    22.1850  -15.5779
            4   C1b C    23.3898  -13.4694
            5   C1y C    19.7561  -14.1680
            6   O1a O    20.9610  -12.0788
            7   C7x C    20.9673  -16.2893
            8   O1a O    24.6010  -14.1615
            9   C1y C    19.7561  -15.5779
            10  O1a O    18.5512  -13.4694
            11  O7x O    21.0310  -17.6864
            12  O1a O    18.5449  -16.2700
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 2
            11    9  12 1 #Down
            12    7   9 1


entry: C00199
name: --- - D-Ribulose 5-phosphate
formula: C5H11O8P
kcf:
ATOM        14
            1   C1c C    11.2634   -7.7876
            2   C1c C    11.9824   -8.2010
            3   C5a C    10.5484   -8.2010
            4   O1a O    11.2634   -6.9602
            5   C1b C    12.7009   -7.7876
            6   O1a O    11.9824   -9.0284
            7   C1b C     9.8259   -7.7876
            8   O5a O    10.5484   -9.0284
            9   O2b O    13.4199   -8.2010
            10  O1a O     9.1109   -8.2010
            11  P1b P    14.2474   -8.1975
            12  O1c O    15.0783   -8.1975
            13  O1c O    14.2474   -7.3667
            14  O3b O    14.2474   -9.0250
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   11  12 1
            12   11  13 1
            13   11  14 2


entry: C00200
formula: C13H11N2. CH3SO4
name:
--- 
- Phenazine methosulfate
- N-Methylphenazonium methosulfate
- 5-Methylphenazinium methyl sulphate

kcf:
ATOM        21
            1   C8y C    -2.0414   -0.2724
            2   C8y C    -2.0414    0.5517
            3   N5y N    -1.3172   -0.6862 #+
            4   C8x C    -2.7552   -0.6897
            5   N5x N    -1.3241    0.9690
            6   C8x C    -2.7552    0.9586
            7   C8y C    -0.5966   -0.2759
            8   C1a C    -1.3207   -1.5103
            9   C8x C    -3.4655   -0.2724
            10  C8y C    -0.6034    0.5586
            11  C8x C    -3.4655    0.5517
            12  C8x C     0.1345   -0.6897
            13  C8x C     0.1172    0.9828
            14  C8x C     0.8586   -0.2724
            15  C8x C     0.8483    0.5724
            16  S4a S     3.5552   -0.1724
            17  O2a O     2.7379   -0.1724
            18  O3c O     3.5517    0.7828
            19  O3c O     3.5517   -0.9724
            20  O0  O     4.3138   -0.1724 #-
            21  C1a C     2.0414    0.2276
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 1
            13   12  14 2
            14   13  15 2
            15   16  17 1
            16   16  18 2
            17   16  19 2
            18   16  20 1
            19   17  21 1
            20    7  10 2
            21    9  11 1
            22   14  15 1


entry: C00201
name: --- - Nucleoside triphosphate - NTP
formula: C5H12O13P3R
kcf:
ATOM        22
            1   C1y C     1.9655    0.2793
            2   C1y C     2.2103   -0.4897
            3   C1b C     1.2034    0.5310
            4   O2x O     2.6069    0.7448
            5   C1y C     3.0172   -0.4897
            6   O1a O     1.7345   -1.1379
            7   O2b O     0.6069   -0.0034
            8   C1y C     3.2690    0.2793
            9   O1a O     3.4862   -1.1379
            10  P1b P    -0.2000   -0.0034
            11  R   R     3.9586    1.4586
            12  O2c O    -1.0000   -0.0034
            13  O1c O    -0.2000    0.8000
            14  O3b O    -0.2000   -0.8034
            15  P1b P    -1.8035   -0.0034
            16  O2c O    -2.6069   -0.0034
            17  O1c O    -1.8035    0.8000
            18  O3b O    -1.8035   -0.8034
            19  P1b P    -3.4103   -0.0034
            20  O1c O    -4.2103   -0.0034
            21  O1c O    -3.4103    0.8000
            22  O3b O    -3.4103   -0.8034
BOND        22
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1 #Down
            9     7  10 1
            10    8  11 1 #Up
            11   10  12 1
            12   10  13 1
            13   10  14 2
            14   12  15 1
            15   15  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 2
            22    5   8 1


entry: C00202
name: --- - Isoflurophate - Diisopropyl fluorophosphate
formula: C6H14FO3P
kcf:
ATOM        11
            1   P1b P    23.2694  -15.1480
            2   O2b O    21.8252  -15.1480
            3   O2b O    23.2694  -16.5348
            4   O3b O    23.2183  -13.7549
            5   X   F    24.6114  -15.1545
            6   C1c C    20.3425  -15.1352
            7   C1c C    23.2694  -17.9279
            8   C1a C    19.6268  -13.9402
            9   C1a C    19.6715  -16.3495
            10  C1a C    22.0616  -18.6183
            11  C1a C    24.4709  -18.6183
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     6   9 1
            9     7  10 1
            10    7  11 1


entry: C00203
name: --- - UDP-N-acetyl-D-galactosamine
formula: C17H27N3O17P2
kcf:
ATOM        39
            1   C1y C     3.8586    0.3724
            2   N4y N     4.0828    1.6552
            3   O2x O     3.2655    0.8069
            4   C1y C     3.6414   -0.3034
            5   C8y C     3.4586    2.0172
            6   C8x C     4.7069    2.0276
            7   C1y C     2.6793    0.3862
            8   C1y C     2.9103   -0.3034
            9   O1a O     4.0724   -0.8828
            10  N4x N     3.4552    2.7448
            11  O5x O     2.8379    1.6552
            12  C8x C     4.7034    2.7552
            13  C1b C     2.0035    0.6034
            14  O1a O     2.4931   -0.8897
            15  C8y C     4.0724    3.1103
            16  O2b O     1.5690    0.0241
            17  O5x O     4.1138    3.8345
            18  P1b P     0.4448    0.0276
            19  O2c O    -0.6276   -0.0034
            20  O1c O     0.4379    0.8690
            21  O3b O     0.4379   -0.8966
            22  P1b P    -1.6517   -0.0069
            23  O2b O    -2.5379   -0.0069
            24  O1c O    -1.6586    0.8310
            25  O3b O    -1.6517   -0.9517
            26  C1y C    -3.2586   -0.4207
            27  C1y C    -3.2586   -1.2483
            28  O2x O    -3.9828   -0.0069
            29  C1y C    -3.9828   -1.6655
            30  N1b N    -2.2414   -1.9931
            31  C1y C    -4.6966   -0.4207
            32  C1y C    -4.6966   -1.2483
            33  O1a O    -3.9828   -2.4862
            34  C5a C    -1.6414   -2.4586
            35  C1b C    -5.4069   -0.0069
            36  O1a O    -5.4069   -1.6655
            37  C1a C    -0.8724   -2.1414
            38  O5a O    -1.6517   -3.1966
            39  O1a O    -6.0414   -0.5414
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1
            34   31  35 1 #Up
            35   32  36 1 #Up
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39    7   8 1
            40   12  15 1
            41   31  32 1


entry: C00204
name: --- - 2-Dehydro-3-deoxy-D-gluconate
formula: C6H10O6
kcf:
ATOM        12
            1   O1a O     9.4690  -15.2118
            2   C1b C    10.1714  -14.8102
            3   C1c C    10.1714  -13.9960
            4   C1c C    10.1714  -13.1852
            5   O1a O    10.9857  -13.9960
            6   C1b C     9.8189  -12.3710
            7   O1a O    10.9857  -13.1852
            8   C5a C    10.1714  -11.5643
            9   C6a C    10.1714  -10.7501
            10  O5a O    10.9857  -11.5643
            11  O6a O    10.8738  -10.3451
            12  O6a O     9.4690  -10.3451
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1
            9     8  10 2
            10    9  11 1
            11    9  12 2


entry: C00206
name: --- - dADP - 2'-Deoxyadenosine 5'-diphosphate
formula: C10H15N5O9P2
kcf:
ATOM        26
            1   N4y N     1.7552    0.4276
            2   C8y C     2.3793   -0.0069
            3   C1y C     0.9966    0.1828
            4   C8x C     2.0379    1.2517
            5   C8y C     3.1069    0.5276
            6   N5x N     2.4586   -0.8448
            7   O2x O     0.3241    0.6828
            8   C1x C     0.7379   -0.5552
            9   N5x N     2.8931    1.2483
            10  C8y C     3.8483    0.2034
            11  C8x C     3.2414   -1.1931
            12  C1y C    -0.3310    0.2172
            13  C1y C    -0.0759   -0.5552
            14  N5x N     3.9448   -0.6724
            15  N1a N     4.5034    0.6897
            16  C1b C    -1.1103    0.4690
            17  O1a O    -0.3414   -1.3379
            18  O2b O    -1.7241   -0.0828
            19  P1b P    -2.5483   -0.0828
            20  O2c O    -3.3724   -0.0828
            21  O1c O    -2.5517   -0.9069
            22  O3b O    -2.5517    0.7414
            23  P1b P    -4.1966   -0.0793
            24  O1c O    -4.2034   -0.9034
            25  O1c O    -5.0241   -0.0793
            26  O3b O    -4.2034    0.7448
BOND        28
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   10  14 2
            14   10  15 1
            15   12  16 1 #Up
            16   13  17 1 #Down
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   23  24 1
            24   23  25 1
            25   23  26 2
            26    5   9 1
            27   11  14 1
            28   12  13 1


entry: C00207
name: --- - Acetone - Dimethyl ketone - 2-Propanone
formula: C3H6O
kcf:
ATOM        4
            1   C5a C    22.1200  -16.5200
            2   C1a C    20.9101  -17.2215
            3   C1a C    23.3299  -17.2215
            4   O5a O    22.1200  -15.1171
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: C00208
name: --- - Maltose - Malt sugar - 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose
formula: C12H22O11
kcf:
ATOM        23
            1   C1y C    27.4952  -17.6709
            2   C1y C    27.4952  -16.2679
            3   O2a O    26.2844  -18.3695
            4   C1y C    28.7120  -18.3638
            5   O2x O    28.7120  -15.5692
            6   C1b C    26.2844  -15.5633
            7   C1y C    25.0735  -19.0682
            8   C1y C    29.9231  -17.6709
            9   O1a O    28.7120  -19.7668
            10  C1y C    29.9231  -16.2679
            11  O1a O    25.0735  -16.2679
            12  O2x O    23.8684  -18.3638
            13  C1y C    25.0735  -20.4712
            14  O1a O    31.1340  -18.3638
            15  O1a O    31.1340  -15.5692
            16  C1y C    22.6516  -19.0682
            17  C1y C    23.8684  -21.1641
            18  O1a O    26.2844  -21.1641
            19  C1y C    22.6516  -20.4712
            20  C1b C    21.4348  -18.3638
            21  O1a O    23.8684  -22.5671
            22  O1a O    21.4348  -21.1641
            23  O1a O    20.2239  -19.0682
BOND        24
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Down
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Either
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    8  10 1
            24   17  19 1


entry: C00209
name: --- - Oxalate - Oxalic acid - Ethanedioic acid
formula: C2H2O4
kcf:
ATOM        6
            1   C6a C    21.5154  -16.5174
            2   C6a C    22.7246  -15.8226
            3   O6a O    20.2994  -15.8226
            4   O6a O    21.5154  -17.9897
            5   O6a O    23.9406  -16.5174
            6   O6a O    22.7246  -14.5603
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2


entry: C00210
name: --- - Cobamide
formula: C54H86CoN11O14P
kcf:
ATOM        81
            1   Z   Co    0.5448    1.1448 #2+
            2   N1y N    -0.0759    1.7379
            3   N1y N    -0.0793    0.4931
            4   N1y N     1.1897    1.7172
            5   N1y N     1.1793    0.5069
            6   C1z C    -0.6483    1.6448
            7   C2y C     0.0276    2.3069
            8   C1y C    -0.6483    0.5759
            9   C2y C     0.0207   -0.0793
            10  C2y C     1.0690    2.2897
            11  C2y C     1.7724    1.6621
            12  C2y C     1.0759   -0.0621
            13  C2y C     1.7586    0.5862
            14  C1z C    -0.9138    2.1690
            15  C1a C    -1.2172    1.4931
            16  C1y C    -0.4931    2.5793
            17  C2y C     0.5517    2.5035
            18  C1y C    -0.9138    0.0552
            19  C1z C    -0.4966   -0.3517
            20  C2y C     0.5517   -0.2862
            21  C1z C     1.5759    2.5759
            22  C1y C     2.0103    2.1931
            23  C2x C     1.9897    1.1241
            24  C1y C     1.5828   -0.3414
            25  C1z C     2.0103    0.0586
            26  C1b C    -1.4931    2.1724
            27  C1a C    -1.0690    2.7345
            28  C1b C    -0.4828    3.1586
            29  C1a C     0.5483    3.0966
            30  C1b C    -1.5517    0.0586
            31  C1b C    -0.4966   -0.9310
            32  C1a C     0.0621   -0.5000
            33  C1a C     0.5483   -0.8690
            34  C1b C     1.5759    3.1655
            35  C1a C     1.0103    2.7276
            36  C1b C     2.5897    2.1966
            37  C1b C     1.6414   -0.9241
            38  C1a C     2.5690    0.2034
            39  C1a C     2.2241   -0.4931
            40  C5a C    -1.7828    2.6759
            41  C1b C    -0.9862    3.4517
            42  C5a C    -1.7552   -0.4862
            43  C1b C    -1.0103   -1.2276
            44  C5a C     2.0759    3.4621
            45  C1b C     2.8759    2.7034
            46  C1b C     2.1724   -1.1621
            47  N1a N    -2.3621    2.6793
            48  O5a O    -1.7897    3.3138
            49  C5a C    -0.9793    4.0345
            50  N1a N    -2.3276   -0.5759
            51  O5a O    -1.3897   -0.9276
            52  C5a C    -1.0138   -1.8103
            53  N1a N     2.0724    4.0414
            54  O5a O     2.5793    3.1690
            55  C5a C     3.4586    2.7069
            56  C5a C     2.2276   -1.7414
            57  N1a N    -1.4793    4.3310
            58  O5a O    -0.4690    4.3172
            59  N1b N    -1.5172   -2.1000
            60  O5a O    -0.5138   -2.1034
            61  N1a N     3.7483    3.2103
            62  O5a O     3.7552    2.2000
            63  N1a N     1.7517   -2.0759
            64  O5a O     2.7621   -1.9828
            65  C1b C    -1.5172   -2.7000
            66  C1c C    -2.0379   -3.0035
            67  O2b O    -2.0379   -3.6069
            68  C1a C    -2.5552   -2.7000
            69  P1b P    -2.5690   -3.9172
            70  O2b O    -1.9310   -4.2000
            71  O1c O    -3.1069   -3.6069
            72  O3b O    -3.0069   -4.3517
            73  C1y C    -1.6000   -4.6655
            74  C1y C    -1.7828   -5.2103
            75  C1y C    -1.0276   -4.6724
            76  O2x O    -1.3517   -5.5000
            77  C1b C    -2.3655   -5.4035
            78  C1y C    -0.8552   -5.2207
            79  O1a O    -0.6862   -4.2138
            80  C1a C    -2.4483   -5.7966
            81  O1a O    -0.3241   -5.4310
BOND        89
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    5  12 2
            12    5  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 1
            19    9  20 2
            20   10  21 1
            21   11  22 1
            22   11  23 1
            23   12  24 1
            24   13  25 1
            25   14  26 1 #Up
            26   14  27 1 #Down
            27   16  28 1 #Down
            28   17  29 1
            29   18  30 1 #Up
            30   19  31 1 #Down
            31   19  32 1 #Up
            32   20  33 1
            33   21  34 1 #Up
            34   21  35 1 #Down
            35   22  36 1 #Down
            36   24  37 1 #Down
            37   25  38 1
            38   25  39 1
            39   26  40 1
            40   28  41 1
            41   30  42 1
            42   31  43 1
            43   34  44 1
            44   36  45 1
            45   37  46 1
            46   40  47 1
            47   40  48 2
            48   41  49 1
            49   42  50 1
            50   42  51 2
            51   43  52 1
            52   44  53 1
            53   44  54 2
            54   45  55 1
            55   46  56 1
            56   49  57 1
            57   49  58 2
            58   52  59 1
            59   52  60 2
            60   55  61 1
            61   55  62 2
            62   56  63 1
            63   56  64 2
            64   59  65 1
            65   65  66 1
            66   66  67 1
            67   66  68 1
            68   67  69 1
            69   69  70 1
            70   69  71 1
            71   69  72 2
            72   70  73 1
            73   73  74 1
            74   73  75 1
            75   74  76 1 #Up
            76   74  77 1
            77   75  78 1
            78   75  79 1
            79   77  80 1
            80   78  81 1
            81    6   8 1
            82   10  17 2
            83   12  20 1
            84   13  23 2
            85   14  16 1
            86   18  19 1
            87   21  22 1
            88   24  25 1
            89   78  76 1 #Up


entry: C00211
name: --- - Collagen
formula: C4H6N2O3R2(C7H9N2O2R)n
kcf:
ATOM        23
            1   C1y C     0.8138    0.1103
            2   N1y N    -0.0138    0.1103
            3   C5a C     1.5276   -0.3000
            4   C1x C     1.0655    0.8931
            5   C5a C    -0.7310   -0.3034
            6   C1x C    -0.2655    0.8931
            7   N1b N     2.5793    0.1138
            8   O5a O     1.5276   -1.1276
            9   C1x C     0.3966    1.3793
            10  C1c C    -1.4483    0.1034
            11  O5a O    -0.7276   -1.1310
            12  C1c C     3.2931   -0.3000
            13  N1b N    -2.1655   -0.3069
            14  R   R    -1.4483    0.9345
            15  C6a C     4.0103    0.1138
            16  R   R     3.2931   -1.1276
            17  C5a C    -3.1690    0.1000
            18  O6a O     4.7276   -0.3000
            19  O6a O     4.0103    0.9414
            20  C1c C    -3.8862   -0.3103
            21  O5a O    -3.1690    0.9310
            22  N1a N    -4.6000    0.0966
            23  R   R    -3.8828   -1.1414
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12   10  13 1
            13   10  14 1 #Down
            14   12  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   15  19 2
            19   17  20 1
            20   17  21 2
            21   20  22 1
            22   20  23 1
            23    6   9 1


entry: C00212
name: --- - Adenosine
formula: C10H13N5O4
kcf:
ATOM        19
            1   N4y N    21.8935  -16.5762
            2   C8y C    22.9578  -17.3132
            3   C1y C    20.6008  -16.9916
            4   C8x C    22.3672  -15.1784
            5   C8y C    24.1919  -16.4066
            6   N5x N    23.0923  -18.7344
            7   O2x O    19.4603  -16.1435
            8   C1y C    20.1739  -18.2432
            9   N5x N    23.8176  -15.1842
            10  C8y C    25.4437  -16.9565
            11  C8x C    24.4143  -19.3251
            12  C1y C    18.3607  -16.9331
            13  C1y C    18.7877  -18.2432
            14  O1a O    20.5832  -19.5767
            15  N5x N    25.6073  -18.4420
            16  N1a N    26.5490  -16.1376
            17  C1b C    17.0564  -16.5236
            18  O1a O    18.3431  -19.5709
            19  O1a O    15.9453  -17.3600
BOND        21
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19    5   9 1
            20   11  15 1
            21   12  13 1


entry: C00213
name: --- - Sarcosine - N-Methylglycine
formula: C3H7NO2
kcf:
ATOM        6
            1   C1b C    25.9141  -25.2911
            2   C6a C    27.0318  -25.9393
            3   N1b N    24.5316  -25.9393
            4   O6a O    27.0318  -27.3647
            5   O6a O    28.1497  -25.2911
            6   C1a C    23.2196  -25.2911
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1


entry: C00214
name: --- - Thymidine - Deoxythymidine
formula: C10H14N2O5
kcf:
ATOM        17
            1   C1y C    -0.3655   -0.1345
            2   N4y N     0.4241    0.1172
            3   O2x O    -1.0414    0.3793
            4   C1x C    -0.6103   -0.9000
            5   C8y C     1.0207   -0.4414
            6   C8x C     0.6103    0.9172
            7   C1y C    -1.7069   -0.1172
            8   C1y C    -1.4483   -0.9000
            9   N4x N     1.8138   -0.2069
            10  O5x O     0.8379   -1.2517
            11  C8y C     1.4000    1.1621
            12  C1b C    -2.4931    0.1310
            13  O1a O    -1.7035   -1.7069
            14  C8y C     1.9931    0.5897
            15  C1a C     1.5862    1.9621
            16  O1a O    -3.1034   -0.4241
            17  O5x O     2.7828    0.8276
BOND        18
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1 #Up
            12    8  13 1 #Down
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 2
            17    7   8 1
            18   11  14 1


entry: C00216
name: --- - D-Arabinose
formula: C5H10O5
kcf:
ATOM        10
            1   C1y C    -0.1483   -0.5793
            2   C1y C     0.5724   -0.1655
            3   C1y C    -0.8586   -0.1655
            4   O1a O    -0.1414   -1.4069
            5   C1y C     0.5724    0.6621
            6   O1a O     1.2897   -0.5793
            7   C1x C    -0.8586    0.6621
            8   O1a O    -1.5724   -0.5793
            9   O2x O    -0.1483    1.0793
            10  O1a O     1.2897    1.0793
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     5   9 1
            9     5  10 1 #Either
            10    7   9 1


entry: C00217
name: --- - D-Glutamate - D-Glutamic acid - D-Glutaminic acid - D-2-Aminoglutaric acid
formula: C5H9NO4
kcf:
ATOM        10
            1   C1c C    23.8372  -17.4608
            2   C1b C    25.0252  -16.7233
            3   C6a C    22.6023  -16.7994
            4   N1a N    23.8781  -18.8595
            5   C1b C    26.2601  -17.3788
            6   O6a O    21.4434  -17.5954
            7   O6a O    22.6198  -15.4007
            8   C6a C    27.4482  -16.6414
            9   O6a O    28.6830  -17.3028
            10  O6a O    27.4714  -15.2426
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 2


entry: C00218
name: --- - Methylamine - Methanamine
formula: CH5N
kcf:
ATOM        2
            1   C1a C    21.5130  -16.5187
            2   N1a N    22.7270  -15.8213
BOND        1
            1     1   2 1


entry: C00219
formula: C20H32O2
name:
--- 
- (5Z,8Z,11Z,14Z)-Icosatetraenoic acid
- Arachidonate
- Arachidonic acid
- cis-5,8,11,14-Eicosatetraenoic acid

kcf:
ATOM        22
            1   C2b C    -1.0310    0.1103
            2   C2b C    -0.3448    0.1103
            3   C1b C    -1.6276   -0.2345
            4   C1b C     0.2517   -0.2345
            5   C2b C    -2.2207    0.1103
            6   C2b C     0.8483    0.1103
            7   C2b C    -2.9103    0.1103
            8   C2b C     1.5345    0.1103
            9   C1b C    -3.5000   -0.2345
            10  C1b C     2.1310   -0.2345
            11  C1b C    -4.1000    0.1103
            12  C2b C     2.7241    0.1103
            13  C1b C    -4.6966   -0.2345
            14  C2b C     3.4138    0.1103
            15  C6a C    -5.2897    0.1103
            16  C1b C     4.0103   -0.2345
            17  O6a O    -5.8862   -0.2345
            18  O6a O    -5.2897    0.7966
            19  C1b C     4.6034    0.1103
            20  C1b C     5.2000   -0.2345
            21  C1b C     5.7931    0.1103
            22  C1a C     6.3897   -0.2345
BOND        21
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1


entry: C00220
name: --- - Methylene blue
formula: C16H18N3S. Cl
kcf:
ATOM        21
            1   C8y C    20.8893  -15.3533
            2   C8y C    20.8893  -13.9651
            3   S2x S    22.0967  -16.2165 #+
            4   C8x C    19.6878  -16.0533
            5   N5x N    22.0967  -13.2535
            6   C8x C    19.6878  -13.2769
            7   C8y C    23.3157  -15.3591
            8   C8y C    18.4978  -15.3533
            9   C8y C    23.3098  -13.9594
            10  C8x C    18.4978  -13.9651
            11  C8x C    24.5405  -16.0533
            12  N1c N    17.3021  -16.0357
            13  C8x C    24.5172  -13.2361
            14  C8y C    25.7655  -15.3474
            15  C1a C    16.1181  -15.3358
            16  C1a C    17.2964  -17.4122
            17  C8x C    25.7479  -13.9301
            18  N1c N    26.9612  -16.0299
            19  C1a C    26.9670  -17.4006
            20  C1a C    28.1452  -15.3242
            21  X   Cl   22.1900  -17.8263 #-
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 2
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   18  19 1
            19   18  20 1
            20    7   9 2
            21    8  10 1
            22   14  17 1


entry: C00221
name: --- - beta-D-Glucose
formula: C6H12O6
kcf:
ATOM        12
            1   C1y C    27.5681  -13.6031
            2   C1y C    27.5681  -14.9976
            3   O2x O    28.7760  -12.8970
            4   C1b C    26.3603  -12.8970
            5   C1y C    28.7760  -15.6978
            6   O1a O    26.3603  -15.6978
            7   C1y C    29.9955  -13.5972
            8   O1a O    25.2924  -13.8015
            9   C1y C    29.9955  -14.9976
            10  O1a O    28.7817  -17.0983
            11  O1a O    31.2091  -12.8970
            12  O1a O    31.2091  -15.6978
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Up
            11    9  12 1 #Down
            12    7   9 1


entry: C00222
name: --- - 3-Oxopropanoate - Malonate semialdehyde
formula: C3H4O3
kcf:
ATOM        6
            1   C1b C    -0.1207   -0.3448
            2   C6a C     0.5966    0.0690
            3   C4a C    -0.8345    0.0690
            4   O6a O     1.3103   -0.3448
            5   O6a O     0.5966    0.8931
            6   O4a O    -1.5483   -0.3448
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 2


entry: C00223
name: --- - p-Coumaroyl-CoA - 4-Coumaroyl-CoA - 4-Hydroxycinnamoyl-CoA
formula: C30H42N7O18P3S
kcf:
ATOM        59
            1   N4y N    19.7400  -13.0900
            2   C1y C    19.1800  -15.3300
            3   C8y C    17.4300  -13.0900
            4   C8x C    19.7400  -11.7600
            5   C1y C    18.7600  -16.4500
            6   O2x O    18.1300  -14.5600
            7   C8y C    17.4300  -11.7600
            8   N5x N    16.3100  -13.7200
            9   N5x N    18.5500  -11.0600
            10  C1y C    17.4300  -16.4500
            11  O1a O    19.5300  -17.5000
            12  C1y C    17.0800  -15.2600
            13  C8y C    16.3100  -11.1300
            14  C8x C    15.1900  -13.0900
            15  O2b O    16.8000  -17.3600
            16  C1b C    15.8200  -14.9100
            17  N5x N    15.1900  -11.7600
            18  N1a N    16.3100   -9.8000
            19  P1b P    15.4000  -17.3600
            20  O2b O    14.0700  -15.6800
            21  O1c O    15.4000  -16.1700
            22  O1c O    14.1400  -17.3600
            23  O3b O    15.4000  -18.6900
            24  P1b P    12.0400  -15.6800
            25  O2c O    12.0400  -18.4100
            26  O1c O    12.0400  -14.4900
            27  O3b O    10.7800  -15.6800
            28  P1b P    12.0400  -21.0700
            29  O2b O    13.4400  -21.0700
            30  O1c O    12.0400  -22.5400
            31  O3b O    10.7800  -21.0700
            32  C1b C    14.4900  -20.4400
            33  C1d C    15.6100  -21.0700
            34  C1c C    16.7300  -20.4400
            35  C1a C    15.6100  -22.1200
            36  C1a C    15.6100  -19.7400
            37  C5a C    17.8500  -21.0700
            38  O1a O    16.7300  -19.1100
            39  N1b N    18.9700  -20.4400
            40  O5a O    17.8500  -22.2600
            41  C1b C    20.0200  -21.0700
            42  C1b C    21.1400  -20.4400
            43  C5a C    22.2600  -21.0700
            44  N1b N    23.3800  -20.4400
            45  O5a O    22.2600  -22.2600
            46  C1b C    24.5000  -21.0700
            47  C1b C    25.6200  -20.4400
            48  S2a S    26.6700  -21.0700
            49  C5a C    27.8824  -20.3700
            50  C2b C    29.0949  -21.0700
            51  C2b C    30.3073  -20.3700
            52  C8y C    31.5197  -21.0700
            53  O5a O    27.8824  -18.9702
            54  C8x C    31.5197  -22.4699
            55  C8x C    32.7322  -23.1699
            56  C8y C    33.9446  -22.4699
            57  C8x C    33.9446  -21.0700
            58  C8x C    32.7322  -20.3700
            59  O1a O    35.1611  -23.1722
BOND        62
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48    7   9 1
            49   10  12 1
            50   14  17 1
            51   48  49 1
            52   49  50 1
            53   50  51 2
            54   51  52 1
            55   49  53 2
            56   52  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   52  58 1
            62   56  59 1


entry: C00224
name: --- - Adenylylsulfate - Adenosine 5'-phosphosulfate - APS - 5'-Adenylyl sulfate
formula: C10H14N5O10PS
kcf:
ATOM        27
            1   N4y N    26.9727  -15.8044
            2   C8y C    25.6584  -15.3894
            3   C1y C    25.8156  -17.7995
            4   C8x C    27.7774  -14.7041
            5   C8y C    25.6584  -14.0060
            6   N5x N    24.4575  -16.0874
            7   O2x O    24.7025  -17.0008
            8   C1y C    25.3944  -19.1073
            9   N5x N    26.9789  -13.5784
            10  C8y C    24.4575  -13.3207
            11  C8x C    23.2753  -15.3894
            12  C1y C    23.6022  -17.7995
            13  C1y C    24.0173  -19.1073
            14  O1a O    26.1929  -20.2078
            15  N5x N    23.2753  -14.0060
            16  N1a N    24.4575  -11.9498
            17  C1b C    22.3068  -17.3719
            18  O1a O    23.2124  -20.2078
            19  O2b O    22.0302  -16.0325
            20  P1b P    20.6530  -16.0263
            21  O2b O    19.2949  -16.0325
            22  O1c O    20.6530  -14.5917
            23  O3b O    20.6468  -17.3970
            24  S4a S    17.9179  -16.0263
            25  O1d O    17.9179  -14.5917
            26  O3c O    16.5533  -16.0263
            27  O3c O    17.9115  -17.3970
BOND        29
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 2
            26   24  27 2
            27    5   9 1
            28   11  15 1
            29   12  13 1


entry: C00225
name: --- - Methyl viologen - Paraquat dichloride - 1,1'-Dimethyl-4,4'-bipyridinium dichloride
formula: C12H14N2. 2Cl
kcf:
ATOM        16
            1   C8y C    -0.3828   -0.0034
            2   C8y C     0.4310    0.0034
            3   C8x C    -0.7931   -0.7276
            4   C8x C    -0.8069    0.7138
            5   C8x C     0.8517   -0.7103
            6   C8x C     0.8379    0.7207
            7   C8x C    -1.6172   -0.7276
            8   C8x C    -1.6310    0.7000
            9   C8x C     1.6793   -0.7103
            10  C8x C     1.6655    0.7310
            11  N5y N    -2.0345   -0.0103 #+
            12  N5y N     2.0862    0.0138 #+
            13  C1a C    -2.8552   -0.0172
            14  C1a C     2.9035    0.0241
            15  X   Cl   -3.8172   -0.0138 #-
            16  X   Cl    3.4828    0.0276 #-
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14    8  11 2
            15   10  12 2


entry: C00226
name: --- - Primary alcohol - 1-Alcohol
formula: CH3OR
kcf:
ATOM        3
            1   C1b C     0.0000    0.2759
            2   O1a O     0.7138   -0.1379
            3   R   R    -0.7138   -0.1379
BOND        2
            1     1   2 1
            2     1   3 1


entry: C00227
name: --- - Acetyl phosphate
formula: C2H5O5P
kcf:
ATOM        8
            1   P1b P    23.3911  -16.1436
            2   O7a O    22.1056  -16.1573
            3   O1c O    24.6698  -16.1573
            4   O1c O    23.3974  -17.6090
            5   O3b O    23.3911  -14.7545
            6   C7a C    20.8968  -15.4565
            7   C1a C    19.7513  -16.1573
            8   O7a O    20.8968  -14.1245
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 2


entry: C00229
name: --- - Acyl-carrier protein - ACP - "[Acyl-carrier protein]" - Holo-[acyl-carrier protein]
formula: HSR
kcf:
ATOM        2
            1   S1a S     5.2697  -12.8182
            2   R   R     6.1022  -12.8148
BOND        1
            1     1   2 1


entry: C00230
name: --- - 3,4-Dihydroxybenzoate - 3,4-Dihydroxybenzoic acid - Protocatechuate - Protocatechuic acid
formula: C7H6O4
kcf:
ATOM        11
            1   C8y C    -0.1310    0.5276
            2   C8x C     0.5862    0.1138
            3   C8x C    -0.8517    0.1138
            4   C6a C    -0.1276    1.3552
            5   C8y C     0.5862   -0.7172
            6   C8x C    -0.8517   -0.7172
            7   O6a O    -0.8448    1.7690
            8   O6a O     0.5897    1.7724
            9   C8y C    -0.1310   -1.1310
            10  O1a O     1.3000   -1.1276
            11  O1a O    -0.1276   -1.9586
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    9  11 1
            11    6   9 1


entry: C00231
name: --- - D-Xylulose 5-phosphate
formula: C5H11O8P
kcf:
ATOM        14
            1   C1c C    20.7212  -15.8512
            2   C1c C    21.9315  -16.5531
            3   C5a C    19.5106  -16.5531
            4   O1a O    20.7212  -14.4539
            5   C1b C    23.1486  -15.8512
            6   O1a O    21.9315  -17.9502
            7   C1b C    18.2937  -15.8512
            8   O5a O    19.5106  -17.9502
            9   O2b O    24.3590  -16.5531
            10  O1a O    17.0832  -16.5531
            11  P1b P    25.7563  -16.5465
            12  O1c O    27.1599  -16.5465
            13  O1c O    25.7563  -15.0729
            14  O3b O    25.7563  -17.9438
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   11  12 1
            12   11  13 1
            13   11  14 2


entry: C00232
name: --- - Succinate semialdehyde - Succinic semialdehyde
formula: C4H6O3
kcf:
ATOM        7
            1   C1b C     0.1000   -0.1759
            2   C6a C     0.8172    0.2414
            3   C1b C    -0.6172    0.2345
            4   O6a O     1.5379   -0.1759
            5   O6a O     0.8172    1.0655
            6   C4a C    -1.3310   -0.1793
            7   O4a O    -1.3276   -1.0035
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 2


entry: C00233
name: --- - 4-Methyl-2-oxopentanoate - 2-Oxoisocaproate
formula: C6H10O3
kcf:
ATOM        9
            1   C5a C    22.7306  -15.8055
            2   C1b C    21.5143  -16.5070
            3   C6a C    23.9403  -16.5070
            4   O5a O    22.7306  -14.4727
            5   C1c C    20.3046  -15.8055
            6   O6a O    25.1501  -15.8055
            7   O6a O    23.9403  -18.1134
            8   C1a C    19.0947  -16.5070
            9   C1a C    20.3046  -14.4727
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 1


entry: C00234
name: --- - 10-Formyltetrahydrofolate - 10-Formyl-THF
formula: C20H23N7O7
kcf:
ATOM        34
            1   C8y C    -3.8276   -0.2793
            2   C8y C    -3.8276    0.4793
            3   N1x N    -3.1621   -0.6586
            4   C8y C    -4.4828   -0.6621
            5   N1x N    -3.1690    0.8655
            6   N5x N    -4.4828    0.8552
            7   C1y C    -2.1931   -0.1966
            8   N4x N    -5.1345   -0.2793
            9   O5x O    -4.4862   -1.4138
            10  C1x C    -2.2069    0.5345
            11  C8y C    -5.1345    0.4793
            12  C1b C    -1.5690   -0.6000
            13  N1a N    -5.7828    0.8552
            14  N1c N    -0.9207   -0.2241
            15  C8y C    -0.1966   -0.4207
            16  C4a C    -0.9034    0.4345
            17  C8x C     0.1828    0.2379
            18  C8x C     0.1897   -1.0724
            19  O4a O    -0.2448    0.7655
            20  C8x C     0.8966    0.2276
            21  C8x C     0.9414   -1.0690
            22  C8y C     1.3172   -0.4103
            23  C5a C     1.9586   -0.0310
            24  N1b N     2.6655   -0.4621
            25  O5a O     1.9552    0.7207
            26  C1c C     3.6862    0.0172
            27  C1b C     4.3379   -0.3552
            28  C6a C     3.6828    0.7655
            29  C1b C     4.9862    0.0276
            30  O6a O     4.3276    1.1448
            31  O6a O     3.0310    1.1379
            32  C6a C     5.6379   -0.3448
            33  O6a O     5.6414   -1.0931
            34  O6a O     6.2828    0.0379
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 2
            19   17  20 2
            20   18  21 1
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 2
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   32  34 2
            34    7  10 1
            35    8  11 1
            36   21  22 2


entry: C00235
formula: C5H12O7P2
name:
--- 
- Dimethylallyl diphosphate
- Prenyl diphosphate
- 2-Isopentenyl diphosphate
- delta2-Isopentenyl diphosphate
- delta-Prenyl diphosphate

kcf:
ATOM        14
            1   P1b P    23.1908  -16.4845
            2   O2c O    24.5937  -16.4845
            3   O2b O    21.8007  -16.4974
            4   O1c O    23.1908  -14.9481
            5   O3b O    23.1908  -17.8876
            6   P1b P    25.9903  -16.4845
            7   C1b C    20.5908  -15.7960
            8   O1c O    27.3933  -16.4845
            9   O1c O    25.9903  -14.9481
            10  O3b O    25.9903  -17.8876
            11  C2b C    19.3745  -16.4974
            12  C2c C    18.1645  -15.7960
            13  C1a C    16.9482  -16.4974
            14  C1a C    18.1645  -14.3929
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11   11  12 2
            12   12  13 1
            13   12  14 1


entry: C00236
formula: C3H8O10P2
name:
--- 
- 3-Phospho-D-glyceroyl phosphate
- 1,3-Bisphospho-D-glycerate
- (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid

kcf:
ATOM        15
            1   P1b P    -2.2621   -0.0759
            2   O7a O    -1.4310   -0.0897
            3   O1c O    -3.0759   -0.0759
            4   O1c O    -2.2483    0.7103
            5   O3b O    -2.2690   -0.8552
            6   C7a C    -0.6897    0.3379
            7   C1c C     0.0517   -0.0897
            8   O7a O    -0.6897    1.1931
            9   C1b C     0.7862    0.3379
            10  O1a O     0.0517   -0.9448
            11  O2b O     1.5310   -0.0897
            12  P1b P     2.3517   -0.0897
            13  O1c O     3.1897   -0.1034
            14  O1c O     2.3655    0.7069
            15  O3b O     2.3448   -0.8759
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     7  10 1 #Up
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 1
            14   12  15 2


entry: C00237
name: --- - CO - Carbon monoxide
formula: CO
kcf:
ATOM        2
            1   O0  O    22.5400  -12.3200 #+
            2   C3b C    21.1400  -12.3200 #-
BOND        1
            1     1   2 3


entry: C00239
formula: C9H14N3O7P
name:
--- 
- dCMP
- Deoxycytidylic acid
- Deoxycytidine monophosphate
- Deoxycytidylate
- 2'-Deoxycytidine 5'-monophosphate

kcf:
ATOM        20
            1   N4y N     1.3310    0.3069
            2   C1y C     0.5379    0.0483
            3   C8y C     1.9517   -0.2448
            4   C8x C     1.5035    1.1172
            5   O2x O    -0.1069    0.5207
            6   C1x C     0.2966   -0.7621
            7   N5x N     2.7414    0.0172
            8   O5x O     1.7862   -1.0517
            9   C8x C     2.2862    1.3793
            10  C1y C    -0.7793    0.0276
            11  C1y C    -0.5345   -0.7621
            12  C8y C     2.9103    0.8276
            13  C1b C    -1.5690    0.2828
            14  O1a O    -1.0241   -1.4241
            15  N1a N     3.6966    1.0862
            16  O2b O    -2.1793   -0.2724
            17  P1b P    -3.0035   -0.2724
            18  O1c O    -3.0069   -1.0966
            19  O1c O    -3.8276   -0.2724
            20  O3b O    -3.0069    0.5517
BOND        21
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1 #Up
            13   11  14 1 #Down
            14   12  15 1
            15   13  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   17  20 2
            20    9  12 1
            21   10  11 1


entry: C00240
name: --- - rRNA - Ribosomal RNA
formula: C15H25O16P2R3
kcf:
ATOM        36
            1   C1y C    -0.3586   -0.4759
            2   C1y C    -0.3586    0.3310
            3   C1y C     0.4310   -0.7276
            4   O2b O    -1.0138   -0.9931
            5   O2x O     0.4276    0.6138
            6   C1b C    -0.9483    0.8483
            7   C1y C     0.9138   -0.0517
            8   O1a O     0.6966   -1.5172
            9   P1b P    -0.6517   -1.7172
            10  O2b O    -0.4759    1.5241
            11  R   R     1.7586   -0.0241
            12  O2b O    -0.1862   -2.3759
            13  O1c O    -1.3690   -2.1483
            14  O3b O     0.0690   -1.2862
            15  P1b P    -0.8586    2.2069
            16  C1b C    -0.5621   -3.1000
            17  O2b O    -1.1862    2.9345
            18  O1c O    -1.6069    1.8345
            19  O3b O    -0.1069    2.5724
            20  C1y C     0.1034   -3.5655
            21  C1y C    -0.5414    3.4828
            22  C1y C     0.1690   -4.3828
            23  O2x O     0.8586   -3.2207
            24  C1y C    -0.6241    4.2966
            25  C1y C     0.2793    3.2897
            26  C1y C     0.9759   -4.5724
            27  O1a O    -0.4621   -4.9310
            28  C1y C     1.4069   -3.8448
            29  O2x O     0.1414    4.6483
            30  C1b C    -1.3483    4.6931
            31  C1y C     0.7034    4.0172
            32  O1a O     0.6069    2.5310
            33  O1a O     1.3103   -5.3345
            34  R   R     2.2448   -3.7655
            35  O1a O    -1.9724    4.1172
            36  R   R     1.5345    4.0931
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1 #Up
            11    9  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 2
            19   20  16 1 #Up
            20   21  17 1 #Down
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Down
            27   23  28 1
            28   24  29 1
            29   24  30 1 #Up
            30   25  31 1
            31   25  32 1 #Down
            32   26  33 1 #Down
            33   28  34 1 #Up
            34   30  35 1
            35   31  36 1 #Up
            36    5   7 1
            37   26  28 1
            38   29  31 1


entry: C00241
name: --- - Amide
formula: CH2NOR
kcf:
ATOM        4
            1   C5a C    22.4700  -16.1700
            2   N1a N    23.4526  -17.5217
            3   O5a O    23.1726  -14.9583
            4   R   R    21.0714  -16.1700
BOND        3
            1     1   2 1
            2     1   3 2
            3     1   4 1


entry: C00242
name: --- - Guanine - 2-Amino-6-hydroxypurine
formula: C5H5N5O
kcf:
ATOM        11
            1   C8y C    -0.4069   -0.5103
            2   C8y C    -0.4103    0.3793
            3   N5x N     0.2966   -0.9379
            4   N4x N    -1.1172   -0.7552
            5   C8y C     0.2793    0.7828
            6   N5x N    -1.1138    0.6310
            7   C8y C     1.0276   -0.5241
            8   C8x C    -1.6103   -0.0414
            9   N4x N     1.0345    0.3448
            10  O5x O     0.2793    1.5690
            11  N1a N     1.7414   -0.9414
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    7  11 1
            11    6   8 2
            12    7   9 1


entry: C00243
formula: C12H22O11
name:
--- 
- Lactose
- 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose
- Milk sugar
- alpha-Lactose
- Anhydrous lactose

kcf:
ATOM        23
            1   C1y C    23.4323  -15.4818
            2   C1y C    23.4323  -14.0820
            3   O2a O    22.2192  -16.1758
            4   C1y C    24.6337  -16.1758
            5   O2x O    24.6337  -13.3762
            6   C1b C    22.2192  -13.3762
            7   C1y C    21.0002  -16.8817
            8   C1y C    25.8528  -15.4818
            9   O1a O    24.6337  -17.5757
            10  C1y C    25.8528  -14.0820
            11  O1a O    21.1517  -14.2862
            12  O2x O    19.7812  -16.1758
            13  C1y C    21.0002  -18.2814
            14  O1a O    27.0601  -16.1758
            15  O1a O    27.0601  -13.3762
            16  C1y C    18.5738  -16.8817
            17  C1y C    19.7812  -18.9813
            18  O1a O    22.2133  -18.9813
            19  C1y C    18.5738  -18.2814
            20  C1b C    17.3664  -16.1758
            21  O1a O    19.7869  -20.3811
            22  O1a O    17.3664  -18.9813
            23  O1a O    16.2991  -17.0857
BOND        24
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Down
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1 #Up
            21   19  22 1 #Up
            22   20  23 1
            23    8  10 1
            24   17  19 1


entry: C00244
name: --- - Nitrate - Nitric acid
formula: HNO3
kcf:
ATOM        4
            1   N2b N    22.1026  -15.8491
            2   O1b O    22.1026  -17.3269
            3   O3a O    23.3700  -15.1250
            4   O3a O    20.7651  -15.1190
BOND        3
            1     1   2 1
            2     1   3 2
            3     1   4 2


entry: C00245
name: --- - Taurine - 2-Aminoethanesulfonic acid - Aminoethylsulfonic acid
formula: C2H7NO3S
kcf:
ATOM        7
            1   C1b C    26.3067  -17.5328
            2   S4a S    27.5163  -16.8350
            3   C1b C    25.0914  -16.8350
            4   O1d O    28.7256  -17.5328
            5   N1a N    23.8820  -17.5328
            6   O3c O    28.6445  -15.9863
            7   O3c O    26.3056  -16.1360
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     2   6 2
            6     2   7 2


entry: C00246
name: --- - Butanoic acid - Butanoate - Butyrate - Butyric acid
formula: C4H8O2
kcf:
ATOM        6
            1   C1b C     0.1172   -0.3448
            2   C6a C    -0.5966    0.0690
            3   C1b C     0.8379    0.0690
            4   O6a O    -1.3172   -0.3448
            5   O6a O    -0.5966    0.9000
            6   C1a C     1.5552   -0.3448
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1


entry: C00247
name: --- - L-Sorbose - L-xylo-Hexulose
formula: C6H12O6
kcf:
ATOM        12
            1   C1z C     0.3172    0.6103
            2   C1y C     0.3172   -0.2172
            3   O2x O    -0.3966    1.0241
            4   C1b C     1.0345    1.0241
            5   O1a O     0.9000    0.0276
            6   C1y C    -0.3966   -0.6310
            7   O1a O     1.0345   -0.6310
            8   C1x C    -1.1172    0.6103
            9   O1a O     1.6621    0.4862
            10  C1y C    -1.1172   -0.2172
            11  O1a O    -0.3966   -1.4586
            12  O1a O    -1.8310   -0.6310
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Either
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1 #Down
            11   10  12 1 #Up
            12    8  10 1


entry: C00248
name: --- - Lipoamide - Thioctic acid amide
formula: C8H15NOS2
kcf:
ATOM        12
            1   C1y C    19.6717  -15.8926
            2   C1x C    18.5330  -15.0755
            3   S3x S    19.2407  -17.2307
            4   C1b C    20.9972  -15.4550
            5   C1x C    17.4070  -15.8926
            6   S3x S    17.8317  -17.2307
            7   C1b C    22.0458  -16.3880
            8   C1b C    23.3713  -15.9504
            9   C1b C    24.4201  -16.8770
            10  C5a C    25.7453  -16.4395
            11  N1a N    26.7876  -17.3724
            12  O5a O    26.0284  -15.2090
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    5   6 1


entry: C00249
formula: C16H32O2
name:
--- 
- Hexadecanoic acid
- Hexadecanoate
- Hexadecylic acid
- Palmitic acid
- Palmitate
- Cetylic acid

kcf:
ATOM        18
            1   C1a C    27.3754  -17.4173
            2   C1b C    25.7706  -16.7573
            3   C1b C    24.6377  -17.4173
            4   C6a C    23.4938  -16.7573
            5   O6a O    22.3554  -17.4228
            6   O6a O    23.4993  -15.4430
            7   C1b C    25.7706  -16.7573
            8   C1b C    24.6377  -17.4173
            9   C1b C    25.7706  -16.7573
            10  C1b C    24.6377  -17.4173
            11  C1b C    25.7706  -16.7573
            12  C1b C    24.6377  -17.4173
            13  C1b C    25.7706  -16.7573
            14  C1b C    24.6377  -17.4173
            15  C1b C    25.7706  -16.7573
            16  C1b C    24.6377  -17.4173
            17  C1b C    25.7706  -16.7573
            18  C1b C    24.6377  -17.4173
BOND        17
            1     4   5 1
            2     4   6 2
            3     1   2 1
            4     2   3 1
            5     3   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18   4 1


entry: C00250
name: --- - Pyridoxal
formula: C8H9NO3
kcf:
ATOM        12
            1   C8y C    -0.1172    0.4241
            2   C8y C     0.5966    0.0034
            3   C8y C    -0.8379    0.0034
            4   C4a C    -0.1172    1.2483
            5   C8x C     0.5966   -0.8310
            6   C1b C     1.3172    0.4103
            7   C8y C    -0.8379   -0.8310
            8   O1a O    -1.5552    0.4138
            9   O4a O     0.6000    1.6586
            10  N5x N    -0.1172   -1.2448
            11  O1a O     2.0276   -0.0034
            12  C1a C    -1.5552   -1.2448
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  10 1


entry: C00251
name: --- - Chorismate - Chorismic acid
formula: C10H10O6
kcf:
ATOM        16
            1   C1y C    20.9144  -17.1938
            2   C2x C    20.9144  -15.7895
            3   C1y C    19.6897  -17.9120
            4   O2a O    22.1900  -17.9629
            5   C2y C    19.6897  -15.0906
            6   C2x C    18.4777  -17.1938
            7   O1a O    19.6833  -19.3036
            8   C2c C    23.3956  -17.2638
            9   C2x C    18.4777  -15.7895
            10  C6a C    19.6833  -13.6926
            11  C6a C    24.6075  -17.9564
            12  C2a C    23.3956  -15.9360
            13  O6a O    20.8952  -13.0000
            14  O6a O    18.4714  -13.0065
            15  O6a O    24.6075  -19.3543
            16  O6a O    25.6731  -17.3210
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    8  11 1
            11    8  12 2
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   11  16 2
            16    6   9 2


entry: C00252
name: --- - Isomaltose - Brachiose
formula: C12H22O11
kcf:
ATOM        23
            1   C1y C    -0.8621    0.2862
            2   O2x O    -1.5862    0.7000
            3   O2a O    -0.1483    0.7034
            4   C1y C    -0.8621   -0.5414
            5   C1y C    -2.2966    0.2828
            6   C1b C     0.4828    1.2414
            7   C1y C    -1.5862   -0.9552
            8   O1a O    -0.1517   -0.9552
            9   C1y C    -2.2966   -0.5414
            10  C1b C    -3.0138    0.7000
            11  C1y C     1.2000    0.8276
            12  O1a O    -1.5862   -1.7828
            13  O1a O    -3.0138   -0.9552
            14  O1a O    -3.6448    0.1621
            15  C1y C     1.2000    0.0000
            16  O2x O     1.9103    1.2414
            17  C1y C     1.9103   -0.4138
            18  O1a O     0.4828   -0.4138
            19  C1y C     2.6310    0.8276
            20  C1y C     2.6310    0.0000
            21  O1a O     1.9103   -1.2414
            22  O1a O     3.3448    1.2414
            23  O1a O     3.3448   -0.4138
BOND        24
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10   11   6 1 #Up
            11    7  12 1 #Up
            12    9  13 1 #Down
            13   10  14 1
            14   11  15 1
            15   11  16 1
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   17  20 1
            20   17  21 1 #Up
            21   19  22 1 #Either
            22   20  23 1 #Down
            23    7   9 1
            24   19  20 1


entry: C00253
name: --- - Nicotinate - Nicotinic acid - Niacin - 3-Pyridinecarboxylic acid
formula: C6H5NO2
kcf:
ATOM        9
            1   C8y C    25.1352  -16.9986
            2   C8x C    23.9013  -16.3004
            3   C8x C    25.1469  -18.3372
            4   C6a C    26.3341  -16.2944
            5   C8x C    22.6849  -17.0102
            6   N5x N    23.9013  -19.1114
            7   O6a O    27.5389  -16.9812
            8   O6a O    26.3108  -14.9035
            9   C8x C    22.6908  -18.4130
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2


entry: C00254
name: --- - Prephenate - Prephenic acid
formula: C10H10O6
kcf:
ATOM        16
            1   C1z C    20.9491  -15.5300
            2   C1b C    22.1428  -14.8239
            3   C2x C    19.7423  -16.2232
            4   C2x C    22.1751  -16.2232
            5   C6a C    19.7294  -14.8303
            6   C5a C    23.3625  -15.5106
            7   C2x C    19.7423  -17.6353
            8   C2x C    22.1751  -17.6353
            9   O6a O    19.7294  -13.4310
            10  O6a O    18.5226  -15.5300
            11  C6a C    24.5628  -14.7982
            12  O5a O    23.3753  -16.9736
            13  C1y C    20.9491  -18.3479
            14  O6a O    25.7761  -15.4849
            15  O6a O    24.5436  -13.4688
            16  O1a O    19.7994  -19.0411
BOND        16
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   11  15 2
            15   13  16 1
            16    8  13 1


entry: C00255
name: --- - Riboflavin - Lactoflavin - 7,8-Dimethyl-10-ribitylisoalloxazine - Vitamin B2
formula: C17H20N4O6
kcf:
ATOM        27
            1   C8y C    23.5243  -24.0144
            2   C8y C    23.5243  -22.6139
            3   C8x C    22.3339  -21.9136
            4   C8y C    21.0734  -22.6139
            5   C8y C    21.0734  -24.0144
            6   C8x C    22.3339  -24.7147
            7   N5x N    24.7372  -24.7147
            8   C8y C    25.9502  -24.0144
            9   C8y C    25.9502  -22.6139
            10  N4y N    24.7372  -21.9136
            11  C8y C    27.1631  -24.7147
            12  N4x N    28.3759  -24.0144
            13  C8y C    28.3759  -22.6139
            14  N5x N    27.1631  -21.9136
            15  C1b C    24.7372  -20.5133
            16  C1c C    23.5075  -19.8031
            17  C1c C    23.5077  -18.4123
            18  O1a O    22.3030  -20.4985
            19  O1a O    24.7332  -17.7050
            20  C1c C    22.3074  -17.7190
            21  O1a O    21.1174  -18.4059
            22  C1b C    22.3075  -16.3116
            23  O1a O    21.1144  -15.6227
            24  C1a C    19.8663  -21.9036
            25  C1a C    19.8663  -24.7247
            26  O5x O    27.1631  -26.1153
            27  O5x O    29.5740  -21.9221
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 1 #Up
            21   17  19 1 #Down
            22   17  20 1
            23   20  21 1 #Up
            24   20  22 1
            25   22  23 1
            26    4  24 1
            27    5  25 1
            28   11  26 2
            29   13  27 2


entry: C00256
formula: C3H6O3
name:
--- 
- (R)-Lactate
- D-Lactate
- D-Lactic acid
- D-2-Hydroxypropanoic acid
- D-2-Hydroxypropionic acid

kcf:
ATOM        6
            1   C1c C     0.3586   -0.2034
            2   C6a C    -0.3586    0.2069
            3   C1a C     0.3586   -1.0345
            4   O1a O     1.0759    0.2069
            5   O6a O    -0.3586    1.0379
            6   O6a O    -1.0759   -0.2069
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 2


entry: C00257
name: --- - D-Gluconic acid - D-Gluconate - D-gluco-Hexonic acid
formula: C6H12O7
kcf:
ATOM        13
            1   C1c C    -0.0690    0.2207
            2   C1c C    -0.0724   -0.6034
            3   C1c C    -0.0655    1.0483
            4   O1a O    -0.8931    0.2207
            5   C1c C    -0.0759   -1.4276
            6   O1a O     0.7517   -0.6034
            7   C6a C    -0.0690    1.8724
            8   O1a O     0.7621    1.0414
            9   C1b C    -0.0793   -2.2517
            10  O1a O     0.7483   -1.4310
            11  O6a O    -0.7862    2.2862
            12  O6a O     0.6448    2.2897
            13  O1a O    -0.7966   -2.6621
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 2
            12    9  13 1


entry: C00258
name: --- - D-Glycerate - Glycerate - (R)-Glycerate - Glyceric acid
formula: C3H6O4
kcf:
ATOM        7
            1   C1c C     0.1034   -0.1759
            2   C6a C    -0.6138    0.2345
            3   C1b C     0.8172    0.2345
            4   O1a O     0.1034   -1.0035
            5   O6a O    -1.3276   -0.1759
            6   O6a O    -0.6138    1.0621
            7   O1a O     1.5310   -0.1759
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1


entry: C00259
name: --- - L-Arabinose - L-Arabinopyranose
formula: C5H10O5
kcf:
ATOM        10
            1   C1y C    -0.1448   -0.5759
            2   C1y C     0.5724   -0.1655
            3   C1y C    -0.8621   -0.1655
            4   O1a O    -0.1448   -1.4034
            5   C1y C     0.5724    0.6586
            6   O1a O     1.2897   -0.5759
            7   C1x C    -0.8621    0.6586
            8   O1a O    -1.5759   -0.5759
            9   O2x O    -0.1448    1.0724
            10  O1a O     1.2897    1.0724
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1 #Either
            10    7   9 1


entry: C00261
name: --- - Benzaldehyde - Benzoic aldehyde
formula: C7H6O
kcf:
ATOM        8
            1   C8y C    21.1965  -17.0263
            2   C8x C    19.9947  -17.7168
            3   C8x C    22.4178  -17.7168
            4   C4a C    21.1902  -15.6324
            5   C8x C    19.9947  -19.1233
            6   C8x C    22.4178  -19.1233
            7   O4a O    22.3922  -14.9356
            8   C8x C    21.1965  -19.8393
BOND        8
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     6   8 1


entry: C00262
name: --- - Hypoxanthine - Purine-6-ol
formula: C5H4N4O
kcf:
ATOM        10
            1   C8y C    22.1372  -16.1809
            2   C8y C    22.1372  -17.4963
            3   C8y C    20.9951  -15.5351
            4   N5x N    23.2733  -15.5231
            5   N5x N    20.9951  -18.1662
            6   N4x N    24.4154  -17.4963
            7   N4x N    19.8709  -16.1809
            8   O5x O    20.9951  -14.2316
            9   C8x C    24.4154  -16.1809
            10  C8x C    19.8709  -17.4963
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    6   9 1
            11    7  10 1


entry: C00263
name: --- - L-Homoserine - 2-Amino-4-hydroxybutyric acid
formula: C4H9NO3
kcf:
ATOM        8
            1   C1c C    -0.1793   -0.2069
            2   C1b C     0.5379    0.2069
            3   C6a C    -0.8966    0.2069
            4   N1a N    -0.1793   -1.0345
            5   C1b C     1.2552   -0.2069
            6   O6a O    -1.6138   -0.2069
            7   O6a O    -0.8966    1.0345
            8   O1a O     1.9724    0.2069
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1


entry: C00264
name: --- - 3-Oxoacyl-CoA
formula: C24H37N7O18P3SR
kcf:
ATOM        54
            1   N4y N     0.7276    2.7517
            2   C1y C     0.4172    1.4483
            3   C8y C    -0.5828    2.7517
            4   C8x C     0.7310    3.5103
            5   O2x O    -0.2034    1.8966
            6   C1y C     0.1897    0.7448
            7   C8y C    -0.5828    3.5103
            8   N5x N    -1.2414    2.3690
            9   N5x N     0.0724    3.8931
            10  C1y C    -0.8138    1.4586
            11  C1y C    -0.5759    0.7448
            12  O1a O     0.6310    0.1379
            13  C8y C    -1.2414    3.8862
            14  C8x C    -1.8897    2.7517
            15  C1b C    -1.5138    1.6793
            16  O2b O    -0.9586    0.2069
            17  N5x N    -1.8897    3.5103
            18  N1a N    -1.2414    4.6345
            19  O2b O    -2.5414    1.1966
            20  P1b P    -1.7586    0.2103
            21  P1b P    -3.7379    1.1828
            22  O1c O    -1.7448    0.9241
            23  O1c O    -2.4897    0.1931
            24  O3b O    -1.7621   -0.5414
            25  O2c O    -3.7379   -0.4069
            26  O1c O    -3.7310    1.9414
            27  O3b O    -4.4931    1.1931
            28  P1b P    -3.7345   -1.9345
            29  O2b O    -2.9517   -1.9207
            30  O1c O    -3.7483   -2.8207
            31  O3b O    -4.4862   -1.9207
            32  C1b C    -2.3069   -1.5448
            33  C1d C    -1.6552   -1.9207
            34  C1c C    -1.0069   -1.5448
            35  C1a C    -1.6655   -2.5862
            36  C1a C    -1.6552   -1.1414
            37  C5a C    -0.3586   -1.9207
            38  O1a O    -1.0069   -0.7966
            39  N1b N     0.2931   -1.5448
            40  O5a O    -0.3586   -2.6690
            41  C1b C     0.9414   -1.9207
            42  C1b C     1.5897   -1.5448
            43  C5a C     2.2414   -1.9207
            44  N1b N     2.8897   -1.5448
            45  O5a O     2.2414   -2.6690
            46  C1b C     3.5414   -1.9207
            47  C1b C     4.1897   -1.5448
            48  S2a S     4.8379   -1.9207
            49  C5a C     5.4897   -1.5448
            50  C1b C     6.1379   -1.9207
            51  O5a O     5.4897   -0.7931
            52  C5a C     6.7862   -1.5448
            53  O5a O     6.7862   -0.7931
            54  R   R     7.4379   -1.9207
BOND        56
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 2
            53   52  54 1
            54    7   9 1
            55   10  11 1
            56   14  17 1


entry: C00265
name: --- - Dithiothreitol - 1,4-Dithiothreitol - threo-1,4-Dimercapto-2,3-butanediol
formula: C4H10O2S2
kcf:
ATOM        8
            1   C1c C    21.5147  -16.5177
            2   C1c C    22.7253  -15.8223
            3   C1b C    20.2974  -15.8223
            4   O1a O    21.5147  -17.9216
            5   C1b C    23.9426  -16.5177
            6   O1a O    22.7253  -14.4184
            7   S1a S    19.0869  -16.5177
            8   S1a S    25.1531  -15.8223
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     5   8 1


