@<TRIPOS>MOLECULE
BindingDB_12130
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.4901   -1.9636    9.3368  C     
2    C        18.7881   -0.7768    9.0311  C     
3    N        19.6108   -0.0076    8.2853  N     
4    C        20.7737   -0.6446    8.0686  C     
5    C        20.7313   -1.8829    8.7120  C     
6    C        21.8588   -0.2706    7.2750  C     
7    C        22.9323   -1.1766    7.1295  C     
8    C        21.8033   -2.7921    8.5801  C     
9    C        17.4760   -0.4244    9.2884  C     
10   C        16.5242   -1.0225   10.0823  C     
11   C        14.1249   -0.6590   10.3691  C     
12   C        15.3508   -0.3406    9.7850  C     
13   C        16.4987   -2.0371   11.0618  C     
14   C        15.2741   -2.3594   11.6852  C     
15   C        14.0696   -1.6799   11.3438  C     
16   N        16.8957    0.5272    8.6355  N     
17   N        15.6665    0.6059    8.9076  N     
18   C        22.9135   -2.4553    7.7644  C     
19   C        24.0426   -3.4057    7.5649  C     
20   C        24.8304   -6.8956    6.0900  C     
21   C        22.5138   -6.2097    5.3148  C     
22   C        22.7744   -4.7805    5.8373  C     
23   C        25.0483   -5.4532    6.6133  C     
24   N        23.7582   -4.7594    6.9853  N     
25   C        23.8363   -6.9121    4.9035  C     
26   C        12.8379   -1.9591   11.9993  C     
27   C        12.0394   -0.8981   12.4995  C     
28   C        12.3586   -3.2794   12.1308  C     
29   C        11.1191   -3.5379   12.7372  C     
30   C        10.3368   -2.4719   13.2281  C     
31   C        10.7989   -1.1536   13.1047  C     
32   H        19.1333   -2.7727    9.8466  H     
33   H        19.3783    0.8547    7.9060  H     
34   H        21.8571    0.6305    6.7784  H     
35   H        23.7043   -0.9068    6.5256  H     
36   H        21.7501   -3.7004    9.0470  H     
37   H        13.2908   -0.1321   10.0837  H     
38   H        17.3562   -2.5190   11.3372  H     
39   H        15.2674   -3.0878   12.4059  H     
40   H        15.0383    1.2545    8.5446  H     
41   H        24.8163   -2.9023    6.9769  H     
42   H        24.4817   -3.5599    8.5552  H     
43   H        25.7934   -7.3028    5.7570  H     
44   H        24.4576   -7.5244    6.9036  H     
45   H        22.0261   -6.8068    6.1008  H     
46   H        21.8385   -6.1667    4.4480  H     
47   H        23.1360   -4.1472    5.0103  H     
48   H        21.8082   -4.3838    6.1787  H     
49   H        25.6932   -5.5057    7.5006  H     
50   H        25.5856   -4.8752    5.8488  H     
51   H        23.3269   -5.3126    7.7315  H     
52   H        24.2723   -6.3911    4.0427  H     
53   H        23.6224   -7.9435    4.6182  H     
54   H        12.3492    0.0734   12.4261  H     
55   H        12.8980   -4.0647   11.7567  H     
56   H        10.7835   -4.4999   12.8153  H     
57   H         9.4338   -2.6568   13.6731  H     
58   H        10.2361   -0.3781   13.4661  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   27 1
    32   26   28 2
    33   27   31 2
    34   28   29 1
    35   29   30 2
    36   30   31 1
    37    1   32 1
    38    3   33 1
    39    6   34 1
    40    7   35 1
    41    8   36 1
    42   11   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   19   41 1
    47   19   42 1
    48   20   43 1
    49   20   44 1
    50   21   45 1
    51   21   46 1
    52   22   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   25   52 1
    58   25   53 1
    59   27   54 1
    60   28   55 1
    61   29   56 1
    62   30   57 1
    63   31   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4203
  Crash		| -1.2181
  Polar		| 1.5165
  FragIndex	| 1
  FragRMSD	| 0.915