@<TRIPOS>MOLECULE
BindingDB_11391
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4184    3.8919   15.3720  C     
2    C        -3.3984    4.9975   14.5812  C     
3    N        -4.5648    5.5137   14.0715  N     
4    C        -4.7259    5.8363   12.7417  C     
5    C        -4.4716    4.8834   11.7243  C     
6    C        -4.6496    5.2078   10.3645  C     
7    C        -5.0907    6.4977   10.0019  C     
8    C        -5.3970    7.4480   10.9940  C     
9    C        -5.2231    7.1096   12.3551  C     
10   S        -6.0093    5.3641   14.9547  S     
11   O        -6.1850    6.4406   16.1060  O     
12   O        -7.3091    5.2334   14.0547  O     
13   C        -4.5643    3.2460   15.8195  C     
14   C        -5.8249    3.8307   15.7050  C     
15   C        -4.6036    1.9715   16.4227  C     
16   C        -5.8839    1.5271   16.7679  C     
17   S        -7.0029    2.7514   16.3208  S     
18   N        -5.6681   -1.2370   16.4848  N     
19   S        -6.3315   -0.0117   17.4283  S     
20   O        -5.6222   -0.0949   18.8464  O     
21   O        -7.9067   -0.1596   17.5719  O     
22   C        -2.0827    5.5737   14.1977  C     
23   C        -1.9477    9.4128   13.7603  C     
24   C        -2.5435    7.9943   13.5876  C     
25   C        -1.8464    7.4531   15.8880  C     
26   C        -1.3420    8.9143   16.0367  C     
27   N        -1.8051    7.0282   14.4561  N     
28   O        -2.0221    9.8126   15.1389  O     
29   O        -5.7783    8.7136   10.6264  O     
30   C        -7.1547    9.0108   10.9464  C     
31   H        -2.5617    3.4618   15.6302  H     
32   H        -4.1653    3.9391   11.9711  H     
33   H        -4.4525    4.5118    9.6401  H     
34   H        -5.1881    6.7412    9.0141  H     
35   H        -5.4372    7.8152   13.0656  H     
36   H        -3.7678    1.4073   16.5891  H     
37   H        -5.3282   -2.0359   16.9159  H     
38   H        -5.3750   -1.0311   15.5842  H     
39   H        -1.2642    5.0504   14.7115  H     
40   H        -1.9079    5.3573   13.1405  H     
41   H        -0.9133    9.4410   13.4066  H     
42   H        -2.5230   10.1286   13.1694  H     
43   H        -3.5906    8.0377   13.8780  H     
44   H        -2.4741    7.7141   12.5334  H     
45   H        -1.1922    6.8076   16.4818  H     
46   H        -2.8654    7.3874   16.2905  H     
47   H        -1.5245    9.2628   17.0532  H     
48   H        -0.2674    8.9578   15.8570  H     
49   H        -0.8246    7.1493   14.1800  H     
50   H        -7.8435    8.3634   10.3823  H     
51   H        -7.3528   10.0457   10.6531  H     
52   H        -7.3573    8.9142   12.0190  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   13 1
     3    2    3 1
     4    2   22 1
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   29 1
    14   10   11 2
    15   10   12 2
    16   10   14 1
    17   13   14 2
    18   13   15 1
    19   14   17 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   18   19 am
    24   19   20 2
    25   19   21 2
    26   22   27 1
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34    1   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   15   36 1
    40   18   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   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   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9016
  Crash		| -2.2999
  Polar		| 1.6532
  FragIndex	| 1
  FragRMSD	| 0.644