@<TRIPOS>MOLECULE
BindingDB_12125
 54 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3682   -2.4108    9.2632  C     
2    C        18.8002   -1.1454    9.0866  C     
3    N        19.7846   -0.3250    8.6499  N     
4    C        20.9414   -1.0029    8.5353  C     
5    C        20.7036   -2.3206    8.9107  C     
6    C        22.2211   -0.6071    8.1083  C     
7    C        23.2453   -1.5778    8.0347  C     
8    C        21.7082   -3.2981    8.8497  C     
9    C        17.4707   -0.7810    9.2601  C     
10   C        16.4779   -1.4212    9.9665  C     
11   C        14.1191   -0.9332   10.4004  C     
12   C        15.3442   -0.6423    9.7790  C     
13   C        16.4080   -2.5458   10.8109  C     
14   C        15.1903   -2.8589   11.4462  C     
15   C        14.0354   -2.0481   11.2742  C     
16   N        16.9521    0.2742    8.7313  N     
17   N        15.7165    0.3738    8.9997  N     
18   C        22.9965   -2.9337    8.3857  C     
19   C        24.0404   -3.9794    8.2008  C     
20   C        24.4746   -6.8628    6.7655  C     
21   C        22.3522   -5.6528    5.9725  C     
22   C        23.2095   -4.3657    5.8129  C     
23   C        25.2434   -5.5148    6.6266  C     
24   N        24.3697   -4.2990    6.7693  N     
25   C        23.2387   -6.9164    5.8282  C     
26   C        12.8545   -2.2771   12.0290  C     
27   C        11.0004   -3.0158   13.6187  C     
28   C        10.7864   -1.8173   12.9413  C     
29   N        11.7889   -1.4434   12.1049  N     
30   S        12.5280   -3.5898   13.1009  S     
31   H        18.9021   -3.2747    9.5343  H     
32   H        19.6751    0.6158    8.4445  H     
33   H        22.4006    0.3611    7.8326  H     
34   H        24.1685   -1.3006    7.6940  H     
35   H        21.4840   -4.2656    9.0983  H     
36   H        13.3245   -0.3042   10.2539  H     
37   H        17.2290   -3.1107   11.0153  H     
38   H        15.1774   -3.6628   12.0782  H     
39   H        15.1302    1.0950    8.7126  H     
40   H        24.9489   -3.6177    8.6894  H     
41   H        23.7483   -4.8937    8.7244  H     
42   H        25.1512   -7.6898    6.5246  H     
43   H        24.1478   -6.9991    7.7992  H     
44   H        21.8625   -5.6545    6.9504  H     
45   H        21.5698   -5.6719    5.2086  H     
46   H        23.6024   -4.3299    4.7894  H     
47   H        22.5586   -3.4905    5.9118  H     
48   H        26.0664   -5.4940    7.3502  H     
49   H        25.7080   -5.4791    5.6360  H     
50   H        24.9434   -3.5148    6.4531  H     
51   H        23.5761   -6.9974    4.7897  H     
52   H        22.6405   -7.8026    6.0568  H     
53   H        10.3837   -3.4571   14.2990  H     
54   H         9.9441   -1.2558   13.0736  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   29 2
    32   26   30 1
    33   27   28 2
    34   27   30 1
    35   28   29 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   27   53 1
    59   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5211
  Crash		| -0.9783
  Polar		| 1.6346
  FragIndex	| 1
  FragRMSD	| 0.766