@<TRIPOS>MOLECULE
BindingDB_11422
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.6681    3.9330   14.5105  C     
2    C        -2.3960    5.0194   13.7402  C     
3    N        -3.3104    6.0315   13.5447  N     
4    S        -4.9714    5.7458   13.7499  S     
5    O        -5.7213    6.8924   14.5570  O     
6    O        -5.7471    5.3931   12.4073  O     
7    C        -3.9020    3.6336   15.0696  C     
8    C        -5.0468    4.3813   14.7957  C     
9    C        -4.1588    2.5199   15.8967  C     
10   C        -5.4927    2.3762   16.2870  C     
11   S        -6.3926    3.6559   15.5778  S     
12   N        -7.6392    1.3217   17.9208  N     
13   S        -6.1397    1.0694   17.2156  S     
14   O        -6.2007   -0.2638   16.3550  O     
15   O        -5.1187    0.7386   18.3866  O     
16   C        -1.0803    5.0523   13.0558  C     
17   C        -2.9467    7.3524   13.3843  C     
18   C        -2.0267    7.9566   14.2740  C     
19   C        -1.6007    9.2847   14.0863  C     
20   C        -2.1421   10.0537   13.0347  C     
21   C        -3.0717    9.4681   12.1550  C     
22   C        -3.4715    8.1348   12.3284  C     
23   O        -0.6812    9.8256   14.9437  O     
24   C         0.6697    9.7412   14.4522  C     
25   C        -1.6875    4.5121    9.2801  C     
26   C        -1.9770    5.0696   10.6969  C     
27   C        -1.1090    2.9549   11.6499  C     
28   C        -0.8650    2.4406   10.2065  C     
29   N        -1.0353    4.4515   11.6823  N     
30   O        -1.7650    3.0719    9.2682  O     
31   O        -1.7159   11.3370   12.8340  O     
32   C        -2.6869   12.3332   13.1958  C     
33   H        -1.9515    3.2609   14.6645  H     
34   H        -3.4368    1.8467   16.1624  H     
35   H        -7.7446    1.1785   18.8745  H     
36   H        -8.4253    1.3945   17.3526  H     
37   H        -0.6932    6.0710   12.9987  H     
38   H        -0.3218    4.5295   13.6443  H     
39   H        -1.6346    7.4144   15.0489  H     
40   H        -3.4516   10.0105   11.3774  H     
41   H        -4.1394    7.7299   11.6690  H     
42   H         0.9757    8.7033   14.2997  H     
43   H         1.3261   10.1825   15.2020  H     
44   H         0.7942   10.3021   13.5207  H     
45   H        -2.4316    4.9025    8.5780  H     
46   H        -0.6970    4.8416    8.9423  H     
47   H        -1.8420    6.1547   10.6772  H     
48   H        -3.0161    4.8442   10.9623  H     
49   H        -2.0917    2.6044   11.9843  H     
50   H        -0.3435    2.5242   12.3095  H     
51   H         0.1760    2.6276    9.9198  H     
52   H        -1.0362    1.3614   10.1667  H     
53   H        -0.1007    4.6753   11.3297  H     
54   H        -3.5694   12.2619   12.5572  H     
55   H        -2.2398   13.3156   13.0467  H     
56   H        -2.9770   12.2504   14.2445  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   29 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   20   31 1
    27   21   22 2
    28   23   24 1
    29   25   26 1
    30   25   30 1
    31   26   29 1
    32   27   28 1
    33   27   29 1
    34   28   30 1
    35   31   32 1
    36    1   33 1
    37    9   34 1
    38   12   35 1
    39   12   36 1
    40   16   37 1
    41   16   38 1
    42   18   39 1
    43   21   40 1
    44   22   41 1
    45   24   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   29   53 1
    57   32   54 1
    58   32   55 1
    59   32   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6446
  Crash		| -1.7645
  Polar		| 3.3130
  FragIndex	| 1
  FragRMSD	| 0.842