@<TRIPOS>MOLECULE
BindingDB_13812
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.1804   34.9584   12.7019  C     
2    C        13.9065   35.4762   11.4133  C     
3    C        12.5891   35.5435   10.9199  C     
4    C        11.4941   35.1291   11.7147  C     
5    C        11.7716   34.6073   13.0020  C     
6    C        13.0879   34.5290   13.4890  C     
7    C        10.0715   35.1419   11.2470  C     
8    C         8.6573   35.4614    9.3001  C     
9    C         9.5955   36.1465   10.1565  C     
10   O        10.8578   32.8214    9.8958  O     
11   S         9.6048   33.5287   10.5825  S     
12   O         8.8316   32.7204   11.7165  O     
13   N         8.5714   34.1598    9.4267  N     
14   O         8.0060   36.0499    8.4500  O     
15   C        15.5791   34.8850   13.2293  C     
16   C        16.5149   33.8934   12.4675  C     
17   C        16.8888   34.3706   11.1429  C     
18   O        16.4828   33.8043   10.1376  O     
19   N        17.6826   35.4083   10.9777  N     
20   N        17.7343   33.6985   13.2014  N     
21   C        18.4700   32.5928   13.2780  C     
22   O        18.0940   31.5469   12.7661  O     
23   C        19.7581   32.6230   13.9732  C     
24   C        20.9680   32.1536   13.0795  C     
25   C        21.4891   30.7801   13.3620  C     
26   C        22.4295   28.1893   14.0381  C     
27   C        21.1182   28.3627   13.5600  C     
28   C        20.6545   29.6474   13.2213  C     
29   C        22.8146   30.5847   13.8250  C     
30   C        23.2787   29.3029   14.1687  C     
31   N        19.6330   31.8769   15.1931  N     
32   C        20.2722   30.9441   17.2855  C     
33   C        20.5244   31.8239   16.1729  C     
34   O        21.5516   32.4906   16.1517  O     
35   H        14.6649   35.8094   10.8163  H     
36   H        12.4423   35.8926    9.9733  H     
37   H        11.0113   34.2745   13.6035  H     
38   H        13.2440   34.1452   14.4220  H     
39   H         9.4221   35.3096   12.1143  H     
40   H         9.0991   36.9978   10.6312  H     
41   H        10.4138   36.5217    9.5437  H     
42   H         7.9898   33.6051    8.8785  H     
43   H        16.0056   35.8933   13.2257  H     
44   H        15.5523   34.5724   14.2776  H     
45   H        15.9750   32.9420   12.3843  H     
46   H        17.9265   35.6987   10.0846  H     
47   H        18.0175   35.8941   11.7497  H     
48   H        18.1071   34.4939   13.6110  H     
49   H        19.9538   33.6645   14.2572  H     
50   H        20.7085   32.2143   12.0177  H     
51   H        21.7795   32.8759   13.2171  H     
52   H        22.7639   27.2571   14.2923  H     
53   H        20.4996   27.5532   13.4676  H     
54   H        19.6992   29.7475   12.8772  H     
55   H        23.4460   31.3811   13.9438  H     
56   H        24.2301   29.1776   14.5230  H     
57   H        18.8350   31.3303   15.2990  H     
58   H        19.3541   31.2501   17.7861  H     
59   H        21.0862   30.9702   18.0135  H     
60   H        20.1554   29.9163   16.9328  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   33 am
    35   32   33 1
    36   33   34 2
    37    2   35 1
    38    3   36 1
    39    5   37 1
    40    6   38 1
    41    7   39 1
    42    9   40 1
    43    9   41 1
    44   13   42 1
    45   15   43 1
    46   15   44 1
    47   16   45 1
    48   19   46 1
    49   19   47 1
    50   20   48 1
    51   23   49 1
    52   24   50 1
    53   24   51 1
    54   26   52 1
    55   27   53 1
    56   28   54 1
    57   29   55 1
    58   30   56 1
    59   31   57 1
    60   32   58 1
    61   32   59 1
    62   32   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.6147
  Crash		| -1.0506
  Polar		| 2.7292
  FragIndex	| 1
  FragRMSD	| 0.582