@<TRIPOS>MOLECULE
BindingDB_11934
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1128    3.5502   13.9487  C     
2    C        -3.2453    4.8074   13.0196  C     
3    N        -3.7286    6.0148   13.6560  N     
4    S        -5.2174    5.9009   14.4487  S     
5    O        -6.4735    6.0288   13.4821  O     
6    O        -5.3291    6.7819   15.7677  O     
7    C        -4.2778    3.3332   14.8596  C     
8    C        -5.2573    4.3030   15.0920  C     
9    C        -4.5034    2.1604   15.6225  C     
10   C        -5.6535    2.1799   16.4118  C     
11   S        -6.4181    3.7023   16.2058  S     
12   O        -6.5161   -0.4356   16.6613  O     
13   O        -5.1438    0.5954   18.5390  O     
14   S        -6.2452    0.9226   17.4444  S     
15   N        -7.6483    1.3073   18.2729  N     
16   C        -3.2816    7.3205   13.2246  C     
17   C        -2.8629    8.2340   14.4010  C     
18   O        -1.9086    7.5691   15.2495  O     
19   C        -1.5337    8.3171   16.4137  C     
20   N        -2.9167    2.3116   13.1411  N     
21   C        -1.9090    2.3220   12.0594  C     
22   C        -1.7668    0.9160   11.4438  C     
23   H        -2.2374    3.6855   14.5826  H     
24   H        -2.2621    4.9803   12.5810  H     
25   H        -3.9295    4.5758   12.1970  H     
26   H        -3.8840    1.3479   15.5879  H     
27   H        -7.6590    1.2826   19.2412  H     
28   H        -8.4545    1.5182   17.7777  H     
29   H        -2.4163    7.2453   12.5615  H     
30   H        -4.0775    7.8091   12.6544  H     
31   H        -2.4126    9.1459   13.9939  H     
32   H        -3.7506    8.5112   14.9690  H     
33   H        -1.0490    9.2514   16.1342  H     
34   H        -0.8306    7.7208   16.9905  H     
35   H        -2.3969    8.5266   17.0449  H     
36   H        -2.6143    1.5828   13.7919  H     
37   H        -3.8166    2.0318   12.7410  H     
38   H        -2.2160    3.0234   11.2783  H     
39   H        -0.9429    2.6348   12.4565  H     
40   H        -1.4390    0.2126   12.2117  H     
41   H        -1.0253    0.9285   10.6402  H     
42   H        -2.7215    0.5776   11.0337  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   21   22 1
    24    1   23 1
    25    2   24 1
    26    2   25 1
    27    9   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   19   33 1
    35   19   34 1
    36   19   35 1
    37   20   36 1
    38   20   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1164
  Crash		| -2.3217
  Polar		| 4.2374
  FragIndex	| 1
  FragRMSD	| 1.169