KEGG   DRUG: TrastuzumabHelp
Entry
D03257                      Drug                                   

Name
Trastuzumab (USAN/INN);
Trastuzumab (genetical recombination) (JAN);
Trastuzumab (genetical recombination) [Trastuzumab biosimilar 1] (JAN);
Trastuzumab (genetical recombination) [Trastuzumab biosimilar 2] (JAN);
Trastuzumab (genetical recombination) [Trastuzumab biosimilar 3] (JAN);
Trastuzumab-pkrb;
Herceptin (TN);
Herzuma (TN)
Product
Sequence
(Heavy chain)
EVQLVESGGG LVQPGGSLRL SCAASGFNIK DTYIHWVRQA PGKGLEWVAR IYPTNGYTRY
ADSVKGRFTI SADTSKNTAY LQMNSLRAED TAVYYCSRWG GDGFYAMDYW GQGTLVTVSS
ASTKGPSVFP LAPSSKSTSG GTAALGCLVK DYFPEPVTVS WNSGALTSGV HTFPAVLQSS
GLYSLSSVVT VPSSSLGTQT YICNVNHKPS NTKVDKKVEP KSCDKTHTCP PCPAPELLGG
PSVFLFPPKP KDTLMISRTP EVTCVVVDVS HEDPEVKFNW YVDGVEVHNA KTKPREEQYN
STYRVVSVLT VLHQDWLNGK EYKCKVSNKA LPAPIEKTIS KAKGQPREPQ VYTLPPSREE
MTKNQVSLTC LVKGFYPSDI AVEWESNGQP ENNYKTTPPV LDSDGSFFLY SKLTVDKSRW
QQGNVFSCSV MHEALHNHYT QKSLSLSPG
(Light chain)
DIQMTQSPSS LSASVGDRVT ITCRASQDVN TAVAWYQQKP GKAPKLLIYS ASFLYSGVPS
RFSGSRSGTD FTLTISSLQP EDFATYYCQQ HYTTPPTFGQ GTKVEIKRTV AAPSVFIFPP
SDEQLKSGTA SVVCLLNNFY PREAKVQWKV DNALQSGNSQ ESVTEQDSKD STYSLSSTLT
LSKADYEKHK VYACEVTHQG LSSPVTKSFN RGEC
(Disulfide bridge: H22-H96, H147-H203, H264-H324, H370-H428, H229-H'229, H232-H'232, L23-L88, L134-L194, H223-L214)
  Type
Peptide
Remark
Therapeutic category: 4291
ATC code: L01XC03
Product: D03257<JP/US>
Product (mixture): D11560<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor, Anti-HER2 antibody
  Disease
Breast cancer (HER2 overexpressing) [DS:H00031]
Gastric cancer (HER2 overexpressing) [DS:H00018]
Comment
Monoclonal antibody
Target
ERBB2 (HER2, CD340) [HSA_VAR:2064v1] [HSA:2064] [KO:K05083]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
hsa05226  Gastric cancer
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XC Monoclonal antibodies
     L01XC03 Trastuzumab
      D03257  Trastuzumab (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Monoclonal Antibody/Antibody-Drug Conjugate
   Trastuzumab
    D03257  Trastuzumab (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D03257  Trastuzumab (USAN/INN); Trastuzumab (genetical recombination) (JAN); Trastuzumab (genetical recombination) [Trastuzumab biosimilar 1] (JAN); Trastuzumab (genetical recombination) [Trastuzumab biosimilar 2] (JAN); Trastuzumab (genetical recombination) [Trastuzumab biosimilar 3] (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1]
     D03257  Trastuzumab (USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D03257
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03257
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03257
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D03257
BRITE hierarchy
Other DBs
CAS: 180288-69-1
PubChem: 17397410
DrugBank: DB00072
NIKKAJI: J2.044.149F
LinkDB All DBs

» Japanese version   » Back

KEGG   DRUG: Trastuzumab emtansineHelp
Entry
D09980                      Drug                                   

Name
Trastuzumab emtansine (USAN/INN);
Trastuzumab emtansine (genetical recombination) (JAN);
Ado-trastuzumab emtansine;
Kadcyla (TN)
Product
Formula
C6448H9948N1720O2012S44
Exact mass
145075.67
Mol weight
145165.1575
Remark
Therapeutic category: 4291
ATC code: L01XC14
Product: D09980<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor, Receptor tyrosine kinase inhibitor, Anti-HER2 antibody
  Disease
Breast cancer (HER2 positive) [DS:H00031]
Comment
Antibody-drug conjugate
Target
ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3] [HSA:2064] [KO:K05083]
TUBB [HSA:10381 10382 10383 203068 347688 347733 7280 81027 84617] [KO:K07375]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XC Monoclonal antibodies
     L01XC14 Trastuzumab emtansine
      D09980  Trastuzumab emtansine (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Monoclonal Antibody/Antibody-Drug Conjugate
   Ado-Trastuzumab Emtansine
    D09980  Trastuzumab emtansine (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09980  Trastuzumab emtansine (USAN/INN); Trastuzumab emtansine (genetical recombination) (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3]
     D09980  Trastuzumab emtansine (USAN/INN) <JP/US>
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D09980  Trastuzumab emtansine (USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D09980
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09980
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09980
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09980
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09980
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D09980
BRITE hierarchy
Other DBs
CAS: 1018448-65-1
PubChem: 135626701
LinkDB All DBs

» Japanese version   » Back

KEGG   DRUG: PertuzumabHelp
Entry
D05446                      Drug                                   

Name
Pertuzumab (USAN/INN);
Pertuzumab (genetical recombination) (JAN);
Perjeta (TN)
Product
Remark
Therapeutic category: 4291
ATC code: L01XC13
Product: D05446<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor, Anti-HER2 antibody
  Disease
Breast cancer (HER2 positive) [DS:H00031]
Comment
Monoclonal antibody
Target
ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3] [HSA:2064] [KO:K05083]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XC Monoclonal antibodies
     L01XC13 Pertuzumab
      D05446  Pertuzumab (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Monoclonal Antibody/Antibody-Drug Conjugate
   Pertuzumab
    D05446  Pertuzumab (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D05446  Pertuzumab (USAN/INN); Pertuzumab (genetical recombination) (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3]
     D05446  Pertuzumab (USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D05446
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05446
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05446
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05446
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05446
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D05446
BRITE hierarchy
Other DBs
CAS: 380610-27-5
PubChem: 47207115
LinkDB All DBs

» Japanese version   » Back

KEGG   DRUG: Lapatinib ditosylateHelp
Entry
D04024                      Drug                                   

Name
Lapatinib ditosylate (USAN);
Lapatinib tosilate hydrate (JAN);
Lapatinib ditosylate monohydrate;
Tykerb (TN);
Tyverb (TN)
Product
Formula
C29H26ClFN4O4S. (C7H8O3S)2. H2O
Exact mass
942.1841
Mol weight
943.4761
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01639  CYP2C19 substrate
 DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
 DG01913  ABCG2 (BCRP) substrate
Remark
Therapeutic category: 4291
ATC code: L01XE07
Chemical structure group: DG00715
Product (DG00715): D04024<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Breast cancer (HER2 overexpressing) [DS:H00031]
Target
EGFR [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA_VAR:2064v1] [HSA:2064] [KO:K05083]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]; CYP2C19 [HSA:1557], CYP2C8 [HSA:1558]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE07 Lapatinib
      D04024  Lapatinib ditosylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D04024  Lapatinib ditosylate (USAN); Lapatinib tosilate hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D04024  Lapatinib ditosylate (USAN) <JP/US>
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1]
     D04024  Lapatinib ditosylate (USAN) <JP/US>
Antineoplastics [br08340.html]
 D04024
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04024
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04024
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04024
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04024
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D04024
 Polymorphisms and mutations affecting drug response
  D04024
BRITE hierarchy
Other DBs
CAS: 388082-78-8
PubChem: 17398008
ChEMBL: CHEMBL1201179
DrugBank: DB01259
LigandBox: D04024
LinkDB All DBs
KCF data Show

ATOM        63
            1   O0  O    35.3225  -20.0361
            2   C8x C    19.9641  -13.5924
            3   N5x N    19.9641  -14.9937
            4   C8y C    21.1552  -15.6944
            5   C8y C    22.4164  -14.9937
            6   C8y C    22.4164  -13.5924
            7   N5x N    21.1552  -12.8917
            8   C8x C    23.6075  -15.6944
            9   C8y C    24.7987  -14.9937
            10  C8x C    24.7987  -13.5924
            11  C8x C    23.6075  -12.8917
            12  N1b N    21.1552  -17.0957
            13  C8y C    22.3464  -17.7964
            14  C8x C    22.3464  -19.1977
            15  C8y C    23.6075  -19.8983
            16  C8y C    24.7987  -19.1977
            17  C8x C    24.7987  -17.7964
            18  C8x C    23.6075  -17.0957
            19  X   Cl   23.6075  -21.2997
            20  O2a O    25.9898  -19.8983
            21  C1b C    27.1809  -19.1977
            22  C8y C    28.3720  -19.8983
            23  C8x C    28.3720  -21.2997
            24  C8x C    29.6332  -22.0003
            25  C8x C    30.8244  -21.2997
            26  C8y C    30.8244  -19.8983
            27  C8x C    29.6332  -19.1977
            28  X   F    32.0155  -19.1977
            29  C8y C    25.9898  -15.6944
            30  C8x C    26.4102  -17.0256
            31  C8x C    27.8115  -17.0256
            32  C8y C    28.2319  -15.6944
            33  O2x O    27.1109  -14.8536
            34  C1b C    29.4455  -14.9937
            35  N1b N    30.6591  -15.6944
            36  C1b C    31.8727  -14.9937
            37  C1b C    33.0862  -15.6944
            38  S4a S    34.2999  -14.9937
            39  C1a C    35.5134  -15.6944
            40  O1d O    35.2907  -14.0029
            41  O1d O    33.3089  -14.0029
            42  C8x C    38.4645  -17.4460
            43  C8x C    38.4645  -18.8473
            44  C8y C    39.6780  -19.5480
            45  C8x C    40.8917  -18.8473
            46  C8x C    40.8917  -17.4460
            47  C8y C    39.6780  -16.7454
            48  C1a C    39.6780  -20.9491
            49  S4a S    39.6780  -15.3442
            50  O1d O    39.6780  -13.9429
            51  O1d O    41.0794  -15.3442
            52  O1d O    38.2767  -15.3442
            53  C8x C    38.4645  -17.4460
            54  C8x C    38.4645  -18.8473
            55  C8y C    39.6780  -19.5480
            56  C8x C    40.8917  -18.8473
            57  C8x C    40.8917  -17.4460
            58  C8y C    39.6780  -16.7454
            59  S4a S    39.6780  -15.3442
            60  O1d O    39.6780  -13.9429
            61  O1d O    41.0794  -15.3442
            62  O1d O    38.2767  -15.3442
            63  C1a C    39.6780  -20.9491
BOND        66
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 2
            7     5   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    6  11 2
            12    4  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   15  19 1
            21   16  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   26  28 1
            31    9  29 1
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   33  29 1
            36   30  29 2
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   38  40 2
            44   38  41 2
            45   42  43 2
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   42  47 1
            51   44  48 1
            52   47  49 1
            53   49  50 1
            54   49  51 2
            55   49  52 2
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1
            62   55  63 1
            63   58  59 1
            64   59  60 1
            65   59  61 2
            66   59  62 2
BRACKET     1    37.6600  -21.8400   37.6600  -13.1600
            1    41.9300  -13.1600   41.9300  -21.8400
            1  2
 ORIGINAL  1   42  43  44  45  46  47  49  50  51  52  48
 REPEAT    1   53  54  55  56  57  58  59  60  61  62  63

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KEGG   DRUG: Neratinib maleateHelp
Entry
D10898                      Drug                                   

Name
Neratinib maleate;
Nerlynx (TN)
Product
Formula
C30H29ClN6O3. C4H4O4
Exact mass
672.2099
Mol weight
673.1148
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: L01XE45
Chemical structure group: DG02303
Product (DG02303): D10898<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Breast cancer (early stage HER2-overexpressed/amplified) [DS:H00031]
Target
EGFR [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3] [HSA:2064] [KO:K05083]
ERBB4 (HER4) [HSA:2066] [KO:K05085]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE45 Neratinib
      D10898  Neratinib maleate <US>
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D10898  Neratinib maleate <US>
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1 2064v3]
     D10898  Neratinib maleate <US>
    ERBB4 (HER4)
     D10898  Neratinib maleate <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10898
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10898
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10898
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10898
BRITE hierarchy
Other DBs
CAS: 915942-22-2
PubChem: 340650302
ChEMBL: CHEMBL3989921
LinkDB All DBs
KCF data Show

ATOM        48
            1   C8y C    18.1338  -13.9329
            2   C8y C    18.1338  -12.5326
            3   C8x C    16.9436  -11.8325
            4   C8y C    15.6833  -12.5326
            5   C8y C    15.6833  -13.9329
            6   C8x C    16.9436  -14.6331
            7   N5x N    14.4931  -11.8325
            8   C8x C    13.3028  -12.5326
            9   C8y C    13.3028  -13.9329
            10  C8y C    14.4931  -14.6331
            11  O2a O    19.3241  -11.4824
            12  N1b N    19.3241  -15.1232
            13  C5a C    20.5143  -14.4230
            14  C2b C    21.7046  -15.1232
            15  C2b C    22.8948  -14.4230
            16  C1b C    24.0851  -15.1232
            17  N1c N    25.2753  -14.4230
            18  O5a O    20.5143  -13.0228
            19  C1a C    26.3956  -15.1232
            20  C1a C    25.2753  -13.0228
            21  N1b N    14.4931  -16.0334
            22  C8y C    15.6833  -16.7335
            23  C3b C    12.1826  -14.6331
            24  N3a N    10.9223  -15.3332
            25  C8x C    16.8736  -16.0334
            26  C8x C    18.1338  -16.7335
            27  C8y C    18.1338  -18.0638
            28  C8y C    16.9436  -18.7640
            29  C8x C    15.6833  -18.0638
            30  X   Cl   16.9436  -20.1643
            31  C1b C    20.5143  -12.1126
            32  C1a C    21.7746  -11.4824
            33  O2a O    19.3241  -18.7640
            34  C1b C    20.5143  -18.0638
            35  C8y C    21.7746  -18.7640
            36  N5x N    21.7746  -20.1643
            37  C8x C    22.9649  -20.8644
            38  C8x C    24.1551  -20.1643
            39  C8x C    24.1551  -18.7640
            40  C8x C    22.9649  -18.0638
            41  C2b C    30.5420  -18.2136
            42  C2b C    28.9308  -18.2136
            43  C6a C    31.2426  -19.4045
            44  C6a C    28.2303  -19.4045
            45  O6a O    30.5420  -20.5955
            46  O6a O    32.5736  -19.4045
            47  O6a O    26.8992  -19.4045
            48  O6a O    28.9308  -20.5955
BOND        50
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   13  18 2
            20   17  19 1
            21   17  20 1
            22   10  21 1
            23   21  22 1
            24    9  23 1
            25   23  24 3
            26   22  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   22  29 1
            32   28  30 1
            33   11  31 1
            34   31  32 1
            35   27  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   35  40 1
            44   41  42 2
            45   41  43 1
            46   42  44 1
            47   43  45 1
            48   43  46 2
            49   44  47 1
            50   44  48 2

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