@<TRIPOS>MOLECULE
BindingDB_13457
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9483   14.3898   16.1660  C     
2    C        43.3077   15.2514   15.2648  C     
3    C        42.2950   14.7597   14.4171  C     
4    C        41.9121   13.4080   14.4935  C     
5    N        41.6229   15.6106   13.6203  N     
6    O        42.3877   14.4234   11.1912  O     
7    S        42.1087   15.8660   12.0308  S     
8    O        40.9494   16.8038   11.2391  O     
9    O        43.5327   16.7716   12.0586  O     
10   C        42.5171   12.5502   15.4288  C     
11   C        43.5434   13.0425   16.2702  C     
12   C        42.0626   11.1389   15.5500  C     
13   C        44.2160   12.1297   17.2095  C     
14   C        43.2441   11.0686   17.7927  C     
15   N        42.4615   10.3918   16.7514  N     
16   C        42.4098   11.6160   18.8608  C     
17   O        42.8297   11.5890   20.0123  O     
18   N        41.2171   12.1328   18.5906  N     
19   C        40.3009   12.6376   19.5522  C     
20   C        42.0414    9.1168   16.9470  C     
21   O        42.2567    8.5817   18.0345  O     
22   C        41.3927    8.2280   15.9697  C     
23   C        40.0235    7.6624   16.4429  C     
24   C        38.9978    7.3556   15.4118  C     
25   C        36.6287    7.4593   14.7955  C     
26   C        37.6753    7.7788   15.6688  C     
27   C        39.2528    6.6472   14.2137  C     
28   C        38.1939    6.2881   13.3219  C     
29   C        36.8829    6.7143   13.6302  C     
30   C        38.4918    5.4678   12.1136  C     
31   F        37.3973    5.1308   11.3530  F     
32   F        39.3450    6.1740   11.3042  F     
33   F        39.1035    4.2897   12.4785  F     
34   H        44.7042   14.7512   16.7571  H     
35   H        43.5813   16.2395   15.2361  H     
36   H        41.1523   13.0713   13.8949  H     
37   H        41.2000   16.3655   14.0611  H     
38   H        40.9710   11.1656   15.5260  H     
39   H        42.4115   10.6275   14.6458  H     
40   H        44.9952   11.6130   16.6479  H     
41   H        44.7011   12.6783   18.0246  H     
42   H        43.9237   10.3374   18.2486  H     
43   H        40.9304   12.1420   17.6675  H     
44   H        40.0298   11.8530   20.2651  H     
45   H        39.3970   12.9702   19.0391  H     
46   H        40.7357   13.4853   20.0893  H     
47   H        41.2580    8.7580   15.0283  H     
48   H        42.0279    7.3598   15.7351  H     
49   H        40.2246    6.7362   16.9911  H     
50   H        39.5625    8.3613   17.1443  H     
51   H        35.6739    7.7602   15.0105  H     
52   H        37.4662    8.3192   16.5089  H     
53   H        40.2255    6.3647   14.0068  H     
54   H        36.0995    6.4935   13.0149  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   26 2
    27   24   27 1
    28   25   26 1
    29   25   29 2
    30   27   28 2
    31   28   29 1
    32   28   30 1
    33   30   31 1
    34   30   32 1
    35   30   33 1
    36    1   34 1
    37    2   35 1
    38    4   36 1
    39    5   37 1
    40   12   38 1
    41   12   39 1
    42   13   40 1
    43   13   41 1
    44   14   42 1
    45   18   43 1
    46   19   44 1
    47   19   45 1
    48   19   46 1
    49   22   47 1
    50   22   48 1
    51   23   49 1
    52   23   50 1
    53   25   51 1
    54   26   52 1
    55   27   53 1
    56   29   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3571
  Crash		| -1.8406
  Polar		| 5.6788
  FragIndex	| 1
  FragRMSD	| 0.915