@<TRIPOS>MOLECULE
BindingDB_11430
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.6931   64.6940    7.2044  C     
2    C         1.1876   63.6046    7.8316  C     
3    C         0.0885   63.7086    8.6861  C     
4    C        -0.0439   65.9940    8.1581  C     
5    C        -0.4750   67.3075    8.1118  C     
6    C         0.4242   67.9409    7.2605  C     
7    N         2.7058   64.6429    6.3174  N     
8    C         3.7725   63.8050    6.2388  C     
9    C         4.4702   63.7792    5.0120  C     
10   C         4.2295   62.9572    7.2824  C     
11   C         5.2584   62.0299    7.0580  C     
12   C         5.8830   61.9483    5.7938  C     
13   C         5.5093   62.8590    4.7868  C     
14   S         7.0411   60.6820    5.4573  S     
15   O         7.5062   60.6869    3.9324  O     
16   O         8.3272   61.0619    6.3132  O     
17   N         6.4934   59.1252    5.8505  N     
18   C         7.3718   58.2304    6.5493  C     
19   C         5.0890   58.8376    5.7558  C     
20   N         1.0405   65.8750    7.3553  N     
21   N        -0.5194   64.9180    8.8409  N     
22   N         1.3188   67.0343    6.8264  N     
23   N        -0.3474   62.5977    9.3315  N     
24   C        -1.3926   62.5453   10.3103  C     
25   C        -0.8260   62.8758   11.7232  C     
26   C        -2.0674   61.1416   10.2915  C     
27   C        -3.1578   61.0247   11.3896  C     
28   C        -2.5829   61.3403   12.7971  C     
29   C        -1.9011   62.7348   12.8271  C     
30   N        -3.6431   61.2667   13.8152  N     
31   C        -1.4937   67.8238    8.7198  C     
32   N        -2.4008   68.2832    9.2593  N     
33   H         1.5629   62.7035    7.6478  H     
34   H         0.4212   68.9293    7.0109  H     
35   H         2.6454   65.2906    5.5944  H     
36   H         4.1823   64.3905    4.2436  H     
37   H         3.8205   63.0120    8.2179  H     
38   H         5.5327   61.3977    7.8119  H     
39   H         5.9567   62.8386    3.8674  H     
40   H         8.3733   58.2618    6.1192  H     
41   H         7.0224   57.1981    6.4802  H     
42   H         7.4306   58.5051    7.6044  H     
43   H         4.6088   59.0465    6.7137  H     
44   H         4.9248   57.7916    5.5019  H     
45   H         4.6037   59.4395    4.9830  H     
46   H         0.1181   61.7674    9.1428  H     
47   H        -2.1644   63.2815   10.0572  H     
48   H         0.0109   62.2073   11.9488  H     
49   H        -0.4412   63.8998   11.7346  H     
50   H        -2.5264   60.9708    9.3132  H     
51   H        -1.3131   60.3627   10.4470  H     
52   H        -3.9726   61.7175   11.1591  H     
53   H        -3.5630   60.0112   11.3811  H     
54   H        -1.8380   60.5791   13.0513  H     
55   H        -1.4297   62.8871   13.7996  H     
56   H        -2.6593   63.5131   12.6970  H     
57   H        -4.2703   62.0705   13.7368  H     
58   H        -3.2138   61.2798   14.7444  H     
59   H        -4.1730   60.4026   13.6992  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   31 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   30 1
    35   31   32 3
    36    2   33 1
    37    6   34 1
    38    7   35 1
    39    9   36 1
    40   10   37 1
    41   11   38 1
    42   13   39 1
    43   18   40 1
    44   18   41 1
    45   18   42 1
    46   19   43 1
    47   19   44 1
    48   19   45 1
    49   23   46 1
    50   24   47 1
    51   25   48 1
    52   25   49 1
    53   26   50 1
    54   26   51 1
    55   27   52 1
    56   27   53 1
    57   28   54 1
    58   29   55 1
    59   29   56 1
    60   30   57 1
    61   30   58 1
    62   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0651
  Crash		| -1.6750
  Polar		| 2.4288
  FragIndex	| 1
  FragRMSD	| 0.752