@<TRIPOS>MOLECULE
BindingDB_11437
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.2766  135.7592   31.8333  C     
2    C        38.2699  134.9521   32.2719  C     
3    C        39.2879  134.5741   31.4349  C     
4    C        38.4861  136.0790   29.8422  C     
5    C        38.3894  136.7976   28.6600  C     
6    C        37.2083  137.5177   28.8121  C     
7    N        36.1909  136.0116   32.5842  N     
8    C        35.5580  135.1525   33.4346  C     
9    C        34.7599  135.7015   34.4581  C     
10   C        35.6973  133.7364   33.3675  C     
11   C        35.1123  132.9080   34.3441  C     
12   C        34.3880  133.4803   35.4130  C     
13   C        34.2080  134.8748   35.4588  C     
14   S        33.7112  132.4651   36.6559  S     
15   O        32.8082  133.2759   37.6907  O     
16   O        32.6568  131.5652   35.8806  O     
17   N        34.8513  131.5129   37.4719  N     
18   C        35.6980  132.1676   38.4298  C     
19   C        34.6541  130.0945   37.5419  C     
20   N        37.4235  136.3631   30.6270  N     
21   N        39.4020  135.1718   30.2536  N     
22   N        36.6629  137.2201   30.0112  N     
23   C        41.2965  133.2512   31.0963  C     
24   C        41.2219  131.8710   30.3802  C     
25   C        42.2545  131.8013   29.2181  C     
26   C        39.2911  136.8140   27.4739  C     
27   C        40.8065  136.8233   27.8170  C     
28   C        38.9698  135.6403   26.5015  C     
29   O        40.1084  133.5928   31.8577  O     
30   C        41.4212  130.6925   31.3712  C     
31   H        38.1982  134.5388   33.1834  H     
32   H        36.8038  138.1541   28.1154  H     
33   H        35.8514  136.9278   32.5721  H     
34   H        34.6371  136.7209   34.5409  H     
35   H        36.2982  133.3119   32.6385  H     
36   H        35.2635  131.8987   34.2823  H     
37   H        33.6881  135.2920   36.2250  H     
38   H        36.0534  133.1278   38.0484  H     
39   H        36.5785  131.5590   38.6517  H     
40   H        35.1506  132.3282   39.3587  H     
41   H        33.8617  129.8660   38.2552  H     
42   H        35.5654  129.5850   37.8713  H     
43   H        34.3901  129.6893   36.5602  H     
44   H        42.1397  133.2500   31.7878  H     
45   H        41.5068  134.0347   30.3649  H     
46   H        40.2283  131.7713   29.9395  H     
47   H        42.0426  132.5851   28.4847  H     
48   H        42.1966  130.8256   28.7246  H     
49   H        43.2658  131.9450   29.5987  H     
50   H        39.0876  137.7505   26.9465  H     
51   H        41.0352  137.6552   28.4882  H     
52   H        41.4002  136.9408   26.9103  H     
53   H        41.1043  135.8808   28.2844  H     
54   H        39.2107  134.6788   26.9558  H     
55   H        39.5505  135.7500   25.5848  H     
56   H        37.9096  135.6228   26.2277  H     
57   H        42.4126  130.7398   31.8258  H     
58   H        41.3251  129.7371   30.8508  H     
59   H        40.6649  130.7286   32.1687  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   29 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   26 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   23   24 1
    28   23   29 1
    29   24   25 1
    30   24   30 1
    31   26   27 1
    32   26   28 1
    33    2   31 1
    34    6   32 1
    35    7   33 1
    36    9   34 1
    37   10   35 1
    38   11   36 1
    39   13   37 1
    40   18   38 1
    41   18   39 1
    42   18   40 1
    43   19   41 1
    44   19   42 1
    45   19   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   25   47 1
    50   25   48 1
    51   25   49 1
    52   26   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   30   57 1
    60   30   58 1
    61   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9330
  Crash		| -3.2902
  Polar		| 1.7228
  FragIndex	| 1
  FragRMSD	| 0.518