@<TRIPOS>MOLECULE
BindingDB_14390
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.0072    0.9939   42.8342  C     
2    C         7.4160    0.9503   42.7523  C     
3    C         8.0543    0.0910   41.8433  C     
4    C         7.2860   -0.7542   41.0167  C     
5    C         5.8768   -0.7094   41.1026  C     
6    C         5.2046    0.1596   42.0033  C     
7    O         5.4547    1.8119   43.7843  O     
8    C         5.1336    3.1462   43.3500  C     
9    C         3.9202    3.6202   44.1728  C     
10   O         9.3434   -2.4350   40.6686  O     
11   O         7.1955   -3.1255   39.6100  O     
12   S         8.0820   -1.8390   39.9028  S     
13   C         9.5091   -1.7518   37.6056  C     
14   C        10.1258   -0.7836   36.5591  C     
15   C         8.1971    0.7260   36.7844  C     
16   C         7.5547   -0.2229   37.8278  C     
17   N         8.5218   -1.1066   38.4367  N     
18   N         9.1068    0.0255   35.8269  N     
19   C         8.3997   -0.7211   34.7479  C     
20   C         3.7748    0.2106   42.0143  C     
21   C         1.7395    0.8620   43.0688  C     
22   N         3.0810   -0.1577   40.8937  N     
23   N         3.0617    0.6782   43.0896  N     
24   O         1.1845    1.3362   44.0497  O     
25   C         1.0251    0.5151   41.9290  C     
26   C         1.7267   -0.0231   40.8608  C     
27   C         0.7801   -0.3570   39.9047  C     
28   N        -0.4204    0.0083   40.3881  N     
29   N        -0.2769    0.5335   41.5696  N     
30   C        -1.3672    1.0349   42.3388  C     
31   C         1.0097   -1.1220   38.6637  C     
32   C         1.1629   -0.2582   37.3923  C     
33   C         0.9573   -1.0449   36.0817  C     
34   H         7.9833    1.5446   43.3661  H     
35   H         9.0762    0.0810   41.7995  H     
36   H         5.3373   -1.3330   40.4998  H     
37   H         5.9821    3.8137   43.5282  H     
38   H         4.8817    3.1748   42.2844  H     
39   H         3.0748    2.9447   44.0292  H     
40   H         3.6073    4.6128   43.8496  H     
41   H         4.1778    3.6393   45.2297  H     
42   H         9.0456   -2.5957   37.0894  H     
43   H        10.3322   -2.1420   38.2114  H     
44   H        10.7949   -0.0946   37.0798  H     
45   H        10.7442   -1.3503   35.8586  H     
46   H         7.4108    1.2628   36.2463  H     
47   H         8.7818    1.4806   37.3186  H     
48   H         7.0695    0.3989   38.5860  H     
49   H         6.7800   -0.8224   37.3453  H     
50   H         9.6245    0.7623   35.3433  H     
51   H         9.1213   -1.1312   34.0377  H     
52   H         7.7405   -0.0501   34.1906  H     
53   H         7.8006   -1.5440   35.1476  H     
54   H         3.5373    0.9073   43.9043  H     
55   H        -1.4265    0.5066   43.2949  H     
56   H        -2.3158    0.9028   41.8110  H     
57   H        -1.2211    2.1029   42.5290  H     
58   H         1.9271   -1.6957   38.7878  H     
59   H         0.1934   -1.8350   38.5206  H     
60   H         0.4608    0.5801   37.4243  H     
61   H         2.1739    0.1611   37.3719  H     
62   H         1.6971   -1.8478   35.9980  H     
63   H         1.0830   -0.3700   35.2326  H     
64   H        -0.0467   -1.4811   36.0461  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   12 1
     8    5    6 1
     9    6   20 1
    10    7    8 1
    11    8    9 1
    12   10   12 2
    13   11   12 2
    14   12   17 1
    15   13   14 1
    16   13   17 1
    17   14   18 1
    18   15   16 1
    19   15   18 1
    20   16   17 1
    21   18   19 1
    22   20   22 2
    23   20   23 1
    24   21   23 1
    25   21   24 2
    26   21   25 1
    27   22   26 1
    28   25   26 2
    29   25   29 1
    30   26   27 1
    31   27   28 2
    32   27   31 1
    33   28   29 1
    34   29   30 1
    35   31   32 1
    36   32   33 1
    37    2   34 1
    38    3   35 1
    39    5   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44    9   41 1
    45   13   42 1
    46   13   43 1
    47   14   44 1
    48   14   45 1
    49   15   46 1
    50   15   47 1
    51   16   48 1
    52   16   49 1
    53   18   50 1
    54   19   51 1
    55   19   52 1
    56   19   53 1
    57   23   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
    61   31   58 1
    62   31   59 1
    63   32   60 1
    64   32   61 1
    65   33   62 1
    66   33   63 1
    67   33   64 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3864
  Crash		| -0.9763
  Polar		| 2.1718
  FragIndex	| 1
  FragRMSD	| 1.417