KEGG   DRUG: Spiramycin
Entry
D05908                      Drug                                   

Name
Spiramycin (JAN/USAN/INN);
Rovamycin (TN)
Formula
C43H73N2O14R
Structure
Simcomp
Source
Streptomyces ambofaciens [TAX:1889]
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
Same as: C01754
Therapeutic category: 6419
ATC code: J01FA02
Chemical structure group: DG00602
Product (DG00602): D05908<JP> D02420<JP>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Comment
R: See Spiramycin [CPD:C01754]
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA02 Spiramycin
      D05908  Spiramycin (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  64  Parasitics (systemic)
   641  Antiprotozoans
    6419  Others
     D05908  Spiramycin (JAN/USAN/INN)
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D05908  Spiramycin (JAN/USAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05908
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05908
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00602  Spiramycin
Other DBs
CAS: 8025-81-8
PubChem: 47207566
NIKKAJI: J203.517K
LinkDB
KCF data

ATOM        60
            1   C1y C    24.3265  -27.0478
            2   C1y C    25.4421  -27.7004
            3   O2a O    23.2154  -27.7004
            4   C1y C    24.3265  -25.7661
            5   C1y C    26.5700  -27.0478
            6   N1c N    25.4421  -28.9890
            7   C1y C    22.1055  -28.3418
            8   O2x O    25.4421  -25.1247
            9   C1a C    23.2212  -25.1247
            10  C1y C    26.5700  -25.7661
            11  O1a O    27.6868  -27.7004
            12  C1a C    26.5586  -29.6292
            13  C1a C    24.3322  -29.6292
            14  C1x C    22.1055  -29.6234
            15  O2x O    20.9775  -27.7004
            16  O2a O    28.8199  -23.1440
            17  C1z C    20.9775  -30.2761
            18  C1y C    19.8618  -28.3418
            19  C1y C    25.3798  -19.4577
            20  C1y C    19.8618  -29.6234
            21  C1a C    20.1076  -31.5066
            22  O1a O    21.8826  -31.6670
            23  C1a C    18.7566  -27.7004
            24  C1y C    25.4442  -18.1352
            25  C1y C    24.2872  -20.1276
            26  O1a O    18.7566  -30.2761
            27  C1x C    24.2234  -17.4882
            28  C1b C    26.4783  -17.4824
            29  C1y C    24.3162  -21.5188
            30  O2a O    23.2582  -19.5618
            31  C1y C    24.2234  -16.1895
            32  C4a C    27.6007  -18.1182
            33  C1x C    23.0954  -22.1142
            34  C1y C    23.0896  -15.5481
            35  C1a C    25.3333  -15.5425
            36  O4a O    28.7106  -17.4654
            37  C7x C    21.9273  -21.4672
            38  C2x C    21.9797  -16.1895
            39  O2a O    23.0896  -14.2673
            40  O7x O    20.7607  -22.1086
            41  O6a O    21.9273  -20.1788
            42  C2x C    21.9797  -17.4882
            43  C1y C    19.6100  -21.4091
            44  C2x C    20.8403  -18.1352
            45  C1x C    19.5930  -20.0467
            46  C1a C    18.5228  -22.0743
            47  C2x C    20.8699  -19.4406
            48  C1a C    23.2478  -18.2794
            49  O2a O    25.4175  -22.1938
            50  R   R    25.4187  -23.4138
            51  C1y C    21.9804  -13.6269
            52  O2x O    21.9844  -12.3512
            53  C1y C    20.8751  -11.7107
            54  C1y C    19.7659  -12.3512
            55  C1x C    19.7659  -13.6320
            56  C1x C    20.8751  -14.2724
            57  C1a C    20.8751  -10.4299
            58  N1c N    18.6567  -11.7107
            59  C1a C    18.6567  -10.4299
            60  C1a C    17.5474  -12.3512
BOND        63
            1    19  25 1
            2    20  26 1 #Up
            3    24  27 1
            4    24  28 1 #Down
            5    25  29 1
            6    25  30 1 #Down
            7    27  31 1
            8    28  32 1
            9    29  33 1
            10   31  34 1
            11   31  35 1 #Down
            12   32  36 2
            13   33  37 1
            14   34  38 1
            15   34  39 1 #Down
            16   37  40 1
            17   37  41 2
            18   38  42 2
            19   40  43 1
            20   42  44 1
            21   43  45 1
            22   43  46 1 #Down
            23   44  47 2
            24    8  10 1
            25   18  20 1
            26   45  47 1
            27   30  48 1
            28    1   2 1
            29    1   3 1 #Down
            30    1   4 1
            31    2   5 1
            32    2   6 1 #Up
            33    7   3 1 #Up
            34    4   8 1
            35    4   9 1 #Up
            36    5  10 1
            37    5  11 1 #Down
            38    6  12 1
            39   29  49 1 #Down
            40    6  13 1
            41   49  50 1
            42    7  14 1
            43    7  15 1
            44   51  39 1 #Up
            45   10  16 1 #Up
            46   14  17 1
            47   15  18 1
            48   19  16 1 #Down
            49   17  20 1
            50   51  52 1
            51   52  53 1
            52   53  54 1
            53   54  55 1
            54   55  56 1
            55   56  51 1
            56   17  21 1 #Down
            57   53  57 1 #Up
            58   17  22 1 #Up
            59   54  58 1 #Down
            60   18  23 1 #Down
            61   58  59 1
            62   19  24 1
            63   58  60 1

» Japanese version   » Back

KEGG   DRUG: Acetylspiramycin
Entry
D02420                      Drug                                   

Name
Acetylspiramycin (JP18);
Spiramycin II;
Acetylspiramycin (TN)
Formula
C45H76N2O15
Exact mass
884.5246
Mol weight
885.0893
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
Same as: C12891
Therapeutic category: 6142
ATC code: J01FA02
Chemical structure group: DG00602
Product (DG00602): D05908<JP> D02420<JP>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA02 Spiramycin
      D02420  Acetylspiramycin (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6142  Spiramycin antibiotics
     D02420  Acetylspiramycin (JP18)
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D02420  Acetylspiramycin (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02420  Acetylspiramycin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00602  Spiramycin
Other DBs
CAS: 24916-51-6
PubChem: 7849478
ChEBI: 31168
ChEMBL: CHEMBL4303354
LigandBox: D02420
NIKKAJI: J209.329D
LinkDB
KCF data

ATOM        62
            1   C1y C    24.3265  -27.0478
            2   C1y C    25.4421  -27.7004
            3   O2a O    23.2154  -27.7004
            4   C1y C    24.3265  -25.7661
            5   C1y C    26.5700  -27.0478
            6   N1c N    25.4421  -28.9890
            7   C1y C    22.1055  -28.3418
            8   O2x O    25.4421  -25.1247
            9   C1a C    23.2212  -25.1247
            10  C1y C    26.5700  -25.7661
            11  O1a O    27.6868  -27.7004
            12  C1a C    26.5586  -29.6292
            13  C1a C    24.3322  -29.6292
            14  C1x C    22.1055  -29.6234
            15  O2x O    20.9775  -27.7004
            16  O2a O    28.8199  -23.1440
            17  C1z C    20.9775  -30.2761
            18  C1y C    19.8618  -28.3418
            19  C1y C    25.3798  -19.4577
            20  C1y C    19.8618  -29.6234
            21  C1a C    20.1076  -31.5066
            22  O1a O    21.8826  -31.6670
            23  C1a C    18.7566  -27.7004
            24  C1y C    25.4442  -18.1352
            25  C1y C    24.2872  -20.1276
            26  O1a O    18.7566  -30.2761
            27  C1x C    24.2234  -17.4882
            28  C1b C    26.4783  -17.4824
            29  C1y C    24.3162  -21.5188
            30  O2a O    23.1882  -19.6318
            31  C1y C    24.2234  -16.1895
            32  C4a C    27.6007  -18.1182
            33  C1x C    23.0954  -22.1142
            34  C1y C    23.0896  -15.5481
            35  C1a C    25.3333  -15.5425
            36  O4a O    28.7106  -17.4654
            37  C7x C    21.9273  -21.4672
            38  C2x C    21.9797  -16.1895
            39  O2a O    23.0896  -14.2673
            40  O7x O    20.7607  -22.1086
            41  O6a O    21.9273  -20.1788
            42  C2x C    21.9797  -17.4882
            43  C1y C    19.6100  -21.4091
            44  C2x C    20.8403  -18.1352
            45  C1x C    19.5930  -20.0467
            46  C1a C    18.5228  -22.0743
            47  C2x C    20.8699  -19.4406
            48  C1a C    23.1778  -18.3494
            49  O7a O    25.4175  -22.1938
            50  C7a C    25.4187  -23.4138
            51  O6a O    26.5970  -24.0927
            52  C1a C    24.2882  -24.0947
            53  C1y C    21.9804  -13.6269
            54  O2x O    21.9844  -12.3512
            55  C1y C    20.8751  -11.7107
            56  C1y C    19.7659  -12.3512
            57  C1x C    19.7659  -13.6320
            58  C1x C    20.8751  -14.2724
            59  C1a C    20.8751  -10.4299
            60  N1c N    18.6567  -11.7107
            61  C1a C    18.6567  -10.4299
            62  C1a C    17.5474  -12.3512
BOND        65
            1    19  25 1
            2    20  26 1 #Up
            3    24  27 1
            4    24  28 1 #Down
            5    25  29 1
            6    25  30 1 #Down
            7    27  31 1
            8    28  32 1
            9    29  33 1
            10   31  34 1
            11   31  35 1 #Down
            12   32  36 2
            13   33  37 1
            14   34  38 1
            15   34  39 1 #Down
            16   37  40 1
            17   37  41 2
            18   38  42 2
            19   40  43 1
            20   42  44 1
            21   43  45 1
            22   43  46 1 #Down
            23   44  47 2
            24    8  10 1
            25   18  20 1
            26   45  47 1
            27   30  48 1
            28    1   2 1
            29    1   3 1 #Down
            30    1   4 1
            31    2   5 1
            32    2   6 1 #Up
            33    7   3 1 #Up
            34    4   8 1
            35    4   9 1 #Up
            36    5  10 1
            37    5  11 1 #Down
            38    6  12 1
            39   29  49 1 #Down
            40    6  13 1
            41   49  50 1
            42    7  14 1
            43   50  51 2
            44    7  15 1
            45   50  52 1
            46   53  39 1 #Up
            47   10  16 1 #Up
            48   14  17 1
            49   15  18 1
            50   19  16 1 #Down
            51   17  20 1
            52   53  54 1
            53   54  55 1
            54   55  56 1
            55   56  57 1
            56   57  58 1
            57   58  53 1
            58   17  21 1 #Down
            59   55  59 1 #Up
            60   17  22 1 #Up
            61   56  60 1 #Down
            62   18  23 1 #Down
            63   60  61 1
            64   19  24 1
            65   60  62 1

» Japanese version   » Back

KEGG   DRUG: Spiramycin adipate
Entry
D08527                      Drug                                   

Name
Spiramycin adipate;
Rovamycina (TN);
Spiramaicina (TN)
Formula
C43H75N2O14R. C6H8O4
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
ATC code: J01FA02
Chemical structure group: DG00602
Product (DG00602): D05908<JP> D02420<JP>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA02 Spiramycin
      D08527  Spiramycin adipate
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D08527  Spiramycin adipate
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00602  Spiramycin
Other DBs
CAS: 68880-55-7
PubChem: 96025212
LinkDB
KCF data

ATOM        70
            1   C1y C    18.6900  -28.9100
            2   C1y C    19.7400  -29.6100
            3   O2a O    17.5700  -29.6100
            4   C1y C    18.6900  -27.6500
            5   C1y C    20.9300  -28.9100
            6   N1c N    19.7400  -30.8700 #+
            7   C1y C    16.4500  -30.2400
            8   O2x O    19.7400  -27.0200
            9   C1a C    17.5700  -27.0200
            10  C1y C    20.9300  -27.6500
            11  O1a O    22.0500  -29.6100
            12  C1a C    21.0000  -32.2000
            13  C1a C    18.7600  -32.2000
            14  C1x C    16.4500  -31.5000
            15  O2x O    15.3300  -29.6100
            16  O2a O    23.1700  -25.0600
            17  C1z C    15.3300  -32.2000
            18  C1y C    14.2100  -30.2400
            19  C1y C    19.7400  -21.3500
            20  C1y C    14.2100  -31.5000
            21  C1a C    14.4200  -33.3900
            22  O1a O    16.2400  -33.5300
            23  C1a C    13.0900  -29.6100
            24  C1y C    19.7400  -20.0200
            25  C1y C    18.6200  -22.0500
            26  O1a O    13.0900  -32.2000
            27  C1x C    18.5500  -19.3900
            28  C1b C    20.7900  -19.3900
            29  C1y C    18.6200  -23.3800
            30  O2a O    17.5700  -21.4200
            31  C1y C    18.5500  -18.0600
            32  C4a C    21.9100  -20.0200
            33  C1x C    17.4300  -24.0100
            34  C1y C    17.4300  -17.4300
            35  C1a C    19.6700  -17.4300
            36  O4a O    23.0300  -19.3900
            37  C7x C    16.2400  -23.3800
            38  C2x C    16.3100  -18.0600
            39  O2a O    17.4300  -16.1700
            40  O7x O    15.1200  -24.0100
            41  O6a O    16.2400  -22.0500
            42  C2x C    16.3100  -19.3900
            43  C1y C    13.9300  -23.3100
            44  C2x C    15.1900  -20.0200
            45  C1x C    13.9300  -21.9100
            46  C1a C    12.8800  -23.9400
            47  C2x C    15.1900  -21.3500
            48  C1a C    17.5700  -20.1600
            49  O2a O    19.7400  -24.0800
            50  R   R    19.7400  -25.2700
            51  C1y C    16.3100  -15.5400
            52  O2x O    16.3100  -14.2100
            53  C1y C    15.1900  -13.5800
            54  C1y C    14.0700  -14.2100
            55  C1x C    14.0700  -15.5400
            56  C1x C    15.1900  -16.1700
            57  C1a C    15.1900  -12.3200
            58  N1c N    12.8800  -13.2300 #+
            59  C1a C    12.8800  -11.6200
            60  C1a C    11.6900  -14.2800
            61  O6a O    27.4624  -23.1700 #-
            62  C6a C    28.6749  -23.8700
            63  C1b C    29.8873  -23.1700
            64  C1b C    31.0997  -23.8700
            65  C1b C    32.3122  -23.1700
            66  C1b C    33.5246  -23.8700
            67  C6a C    34.7370  -23.1700
            68  O6a O    35.9495  -23.8700 #-
            69  O6a O    28.6749  -25.2698
            70  O6a O    34.7370  -21.7701
BOND        72
            1    19  25 1
            2    20  26 1 #Up
            3    24  27 1
            4    24  28 1 #Down
            5    25  29 1
            6    25  30 1 #Down
            7    27  31 1
            8    28  32 1
            9    29  33 1
            10   31  34 1
            11   31  35 1 #Down
            12   32  36 2
            13   33  37 1
            14   34  38 1
            15   34  39 1 #Down
            16   37  40 1
            17   37  41 2
            18   38  42 2
            19   40  43 1
            20   42  44 1
            21   43  45 1
            22   43  46 1 #Down
            23   44  47 2
            24    8  10 1
            25   18  20 1
            26   45  47 1
            27   30  48 1
            28    1   2 1
            29    1   3 1 #Down
            30    1   4 1
            31    2   5 1
            32    2   6 1 #Up
            33    7   3 1 #Up
            34    4   8 1
            35    4   9 1 #Up
            36    5  10 1
            37    5  11 1 #Down
            38    6  12 1
            39   29  49 1 #Down
            40    6  13 1
            41   49  50 1
            42    7  14 1
            43    7  15 1
            44   51  39 1 #Up
            45   10  16 1 #Up
            46   14  17 1
            47   15  18 1
            48   19  16 1 #Down
            49   17  20 1
            50   51  52 1
            51   52  53 1
            52   53  54 1
            53   54  55 1
            54   55  56 1
            55   56  51 1
            56   17  21 1 #Down
            57   53  57 1 #Up
            58   17  22 1 #Up
            59   54  58 1 #Down
            60   18  23 1 #Down
            61   58  59 1
            62   19  24 1
            63   58  60 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   62  69 2
            72   67  70 2

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KEGG   DRUG: Spiramycin embonate
Entry
D08528                      Drug                                   

Name
Spiramycin embonate;
Cofamix STS (TN)
Formula
(C43H73N2O14R)x. C23H16O6
Structure
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
ATC code: J01FA02
Chemical structure group: DG00602
Product (DG00602): D05908<JP> D02420<JP>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA02 Spiramycin
      D08528  Spiramycin embonate
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D08528  Spiramycin embonate
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00602  Spiramycin
Other DBs
CAS: 67724-08-7
PubChem: 96025213
NIKKAJI: J203.511A J334.615C
LinkDB
KCF data

ATOM        89
            1   C1y C    18.6200  -29.2600
            2   C1y C    19.6700  -29.9600
            3   O2a O    17.5000  -29.9600
            4   C1y C    18.6200  -28.0000
            5   C1y C    20.8600  -29.2600
            6   N1c N    19.6700  -31.2200
            7   C1y C    16.3800  -30.5900
            8   O2x O    19.6700  -27.3700
            9   C1a C    17.5000  -27.3700
            10  C1y C    20.8600  -28.0000
            11  O1a O    21.9800  -29.9600
            12  C1a C    20.9300  -32.5500
            13  C1a C    18.6900  -32.5500
            14  C1x C    16.3800  -31.8500
            15  O2x O    15.2600  -29.9600
            16  O2a O    23.1000  -25.4100
            17  C1z C    15.2600  -32.5500
            18  C1y C    14.1400  -30.5900
            19  C1y C    19.6700  -21.7000
            20  C1y C    14.1400  -31.8500
            21  C1a C    14.3500  -33.7400
            22  O1a O    16.1700  -33.8800
            23  C1a C    13.0200  -29.9600
            24  C1y C    19.6700  -20.3700
            25  C1y C    18.5500  -22.4000
            26  O1a O    13.0200  -32.5500
            27  C1x C    18.4800  -19.7400
            28  C1b C    20.7200  -19.7400
            29  C1y C    18.5500  -23.7300
            30  O2a O    17.5000  -21.7700
            31  C1y C    18.4800  -18.4100
            32  C4a C    21.8400  -20.3700
            33  C1x C    17.3600  -24.3600
            34  C1y C    17.3600  -17.7800
            35  C1a C    19.6000  -17.7800
            36  O4a O    22.9600  -19.7400
            37  C7x C    16.1700  -23.7300
            38  C2x C    16.2400  -18.4100
            39  O2a O    17.3600  -16.5200
            40  O7x O    15.0500  -24.3600
            41  O6a O    16.1700  -22.4000
            42  C2x C    16.2400  -19.7400
            43  C1y C    13.8600  -23.6600
            44  C2x C    15.1200  -20.3700
            45  C1x C    13.8600  -22.2600
            46  C1a C    12.8100  -24.2900
            47  C2x C    15.1200  -21.7000
            48  C1a C    17.5000  -20.5100
            49  O2a O    19.6700  -24.4300
            50  R   R    19.6700  -25.6200
            51  C1y C    16.2400  -15.8900
            52  O2x O    16.2400  -14.5600
            53  C1y C    15.1200  -13.9300
            54  C1y C    14.0000  -14.5600
            55  C1x C    14.0000  -15.8900
            56  C1x C    15.1200  -16.5200
            57  C1a C    15.1200  -12.6700
            58  N1c N    12.8100  -13.5800
            59  C1a C    12.8100  -11.9700
            60  C1a C    11.6200  -14.6300
            61  C8x C    28.7700  -24.5000
            62  C8x C    28.7700  -25.8300
            63  C8x C    29.9600  -26.5300
            64  C8x C    31.1500  -25.8300
            65  C8y C    31.1500  -24.5000
            66  C8y C    29.9600  -23.8000
            67  C8y C    32.3400  -23.8000
            68  C8y C    32.3400  -22.4000
            69  C8y C    31.1500  -21.7700
            70  C8x C    29.9600  -22.4000
            71  C1b C    34.1600  -24.6400
            72  C8y C    35.7700  -23.8000
            73  C8y C    36.9600  -24.5000
            74  C8y C    38.1500  -23.8000
            75  C8x C    38.1500  -22.4000
            76  C8y C    36.9600  -21.7700
            77  C8y C    35.7700  -22.4700
            78  C8x C    36.9600  -25.8300
            79  C8x C    38.1500  -26.5300
            80  C8x C    39.3400  -25.8300
            81  C8x C    39.3400  -24.5000
            82  C6a C    31.1500  -20.3700
            83  O6a O    32.3400  -19.6700
            84  O6a O    29.9600  -19.6700
            85  C6a C    36.9600  -20.3700
            86  O6a O    35.7700  -19.6700
            87  O6a O    38.1500  -19.6700
            88  O1a O    33.5300  -21.7700
            89  O1a O    34.5800  -21.7700
BOND        95
            1    19  25 1
            2    20  26 1 #Up
            3    24  27 1
            4    24  28 1 #Down
            5    25  29 1
            6    25  30 1 #Down
            7    27  31 1
            8    28  32 1
            9    29  33 1
            10   31  34 1
            11   31  35 1 #Down
            12   32  36 2
            13   33  37 1
            14   34  38 1
            15   34  39 1 #Down
            16   37  40 1
            17   37  41 2
            18   38  42 2
            19   40  43 1
            20   42  44 1
            21   43  45 1
            22   43  46 1 #Down
            23   44  47 2
            24    8  10 1
            25   18  20 1
            26   45  47 1
            27   30  48 1
            28    1   2 1
            29    1   3 1 #Down
            30    1   4 1
            31    2   5 1
            32    2   6 1 #Up
            33    7   3 1 #Up
            34    4   8 1
            35    4   9 1 #Up
            36    5  10 1
            37    5  11 1 #Down
            38    6  12 1
            39   29  49 1 #Down
            40    6  13 1
            41   49  50 1
            42    7  14 1
            43    7  15 1
            44   51  39 1 #Up
            45   10  16 1 #Up
            46   14  17 1
            47   15  18 1
            48   19  16 1 #Down
            49   17  20 1
            50   51  52 1
            51   52  53 1
            52   53  54 1
            53   54  55 1
            54   55  56 1
            55   56  51 1
            56   17  21 1 #Down
            57   53  57 1 #Up
            58   17  22 1 #Up
            59   54  58 1 #Down
            60   18  23 1 #Down
            61   58  59 1
            62   19  24 1
            63   58  60 1
            64   61  62 2
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 2
            69   61  66 1
            70   65  67 1
            71   67  68 2
            72   68  69 1
            73   69  70 2
            74   66  70 1
            75   67  71 1
            76   71  72 1
            77   72  73 1
            78   73  74 2
            79   74  75 1
            80   75  76 2
            81   76  77 1
            82   72  77 2
            83   73  78 1
            84   78  79 2
            85   79  80 1
            86   80  81 2
            87   74  81 1
            88   69  82 1
            89   82  83 2
            90   82  84 1
            91   76  85 1
            92   85  86 2
            93   85  87 1
            94   68  88 1
            95   77  89 1
BRACKET     1     8.6100  -35.1400    8.6100  -10.0100
            1    25.6200  -10.0100   25.6200  -35.1400
            1  x
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32
            1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56  57  58  59  60
 REPEAT    1

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