@<TRIPOS>MOLECULE
BindingDB_13499
 68 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8573   17.4137   78.7170  C     
2    C        16.0198   17.1386   80.0935  C     
3    C        17.2870   16.8269   80.6212  C     
4    C        18.4326   16.7968   79.7907  C     
5    C        18.2746   17.1823   78.4379  C     
6    C        17.0077   17.4700   77.9027  C     
7    C        19.7653   16.2726   80.2168  C     
8    C        21.7953   16.5970   81.4328  C     
9    C        20.7774   17.3330   80.7136  C     
10   N        21.4844   15.3720   81.7887  N     
11   O        19.1761   15.1017   82.8578  O     
12   O        22.9279   17.0230   81.6010  O     
13   C        14.4968   17.5669   78.1314  C     
14   C        13.7574   18.8644   78.5658  C     
15   C        14.4251   20.0761   78.0350  C     
16   C        15.0957   21.5972   76.6390  C     
17   C        15.2766   22.0590   77.9410  C     
18   C        15.9005   23.7032   75.7614  C     
19   C        15.4010   22.4033   75.5294  C     
20   C        15.7758   23.3497   78.1858  C     
21   C        16.0867   24.1735   77.0819  C     
22   N        14.8586   21.1078   78.7896  N     
23   N        14.5824   20.3670   76.7285  N     
24   S        19.8990   14.9557   81.4475  S     
25   O        19.9088   13.5435   80.7116  O     
26   N        12.4078   18.8065   78.0940  N     
27   S        11.2607   20.0088   78.3908  S     
28   O         9.8372   19.3368   78.1614  O     
29   O        11.3051   20.4234   79.9267  O     
30   C        11.4798   21.3373   77.2851  C     
31   C        11.7557   22.6389   77.7594  C     
32   C        11.4908   21.0904   75.8947  C     
33   C        11.8243   22.1176   74.9944  C     
34   C        12.1313   23.4030   75.4756  C     
35   C        12.0709   23.6796   76.8609  C     
36   O        12.3918   24.9093   77.3799  O     
37   C        11.8490   25.9692   76.6986  C     
38   C        12.6271   26.6094   75.7099  C     
39   C        12.1078   27.7091   75.0021  C     
40   C        10.8105   28.1794   75.2828  C     
41   C        10.0349   27.5557   76.2799  C     
42   C        10.5566   26.4600   76.9920  C     
43   H        15.2045   17.1031   80.7091  H     
44   H        17.3450   16.5663   81.6059  H     
45   H        19.0802   17.1895   77.8093  H     
46   H        16.9270   17.6849   76.9054  H     
47   H        20.2018   15.8016   79.3278  H     
48   H        21.2144   17.8638   79.8618  H     
49   H        20.3038   18.0592   81.3820  H     
50   H        22.1208   14.7638   82.1946  H     
51   H        14.5482   17.5355   77.0375  H     
52   H        13.9036   16.6962   78.4244  H     
53   H        13.7339   18.9085   79.6587  H     
54   H        16.1248   24.3096   74.9695  H     
55   H        15.2554   22.0583   74.5784  H     
56   H        15.8957   23.6892   79.1425  H     
57   H        16.4445   25.1184   77.2394  H     
58   H        14.3137   19.8073   75.9821  H     
59   H        12.2313   18.2229   77.3417  H     
60   H        11.7563   22.8302   78.7636  H     
61   H        11.2509   20.1663   75.5277  H     
62   H        11.8320   21.9318   73.9912  H     
63   H        12.3842   24.1417   74.8158  H     
64   H        13.5711   26.2743   75.5049  H     
65   H        12.6740   28.1692   74.2852  H     
66   H        10.4339   28.9789   74.7698  H     
67   H         9.0930   27.8980   76.4859  H     
68   H         9.9906   26.0142   77.7192  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 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   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   31 1
    35   30   32 2
    36   31   35 2
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 1
    41   36   37 1
    42   37   38 2
    43   37   42 1
    44   38   39 1
    45   39   40 2
    46   40   41 1
    47   41   42 2
    48    2   43 1
    49    3   44 1
    50    5   45 1
    51    6   46 1
    52    7   47 1
    53    9   48 1
    54    9   49 1
    55   10   50 1
    56   13   51 1
    57   13   52 1
    58   14   53 1
    59   18   54 1
    60   19   55 1
    61   20   56 1
    62   21   57 1
    63   23   58 1
    64   26   59 1
    65   31   60 1
    66   32   61 1
    67   33   62 1
    68   34   63 1
    69   38   64 1
    70   39   65 1
    71   40   66 1
    72   41   67 1
    73   42   68 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5433
  Crash		| -1.9841
  Polar		| 6.0579
  FragIndex	| 1
  FragRMSD	| 0.456