@<TRIPOS>MOLECULE
BindingDB_11451
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.0839   -9.7659    8.7980  C     
2    C         9.0023   -9.6610    9.8567  C     
3    C         9.4339  -10.8109   10.5628  C     
4    C         8.8134  -12.0458   10.2778  C     
5    C         7.9075  -12.1590    9.2058  C     
6    C         7.5714  -11.0265    8.4341  C     
7    N        10.4484  -10.8152   11.4707  N     
8    C        11.4905   -9.9684   11.5787  C     
9    C        11.9160   -9.1969   10.5460  C     
10   C        13.0973   -8.4330   10.6081  C     
11   C        13.4502   -9.3888   12.7592  C     
12   C        13.1976  -10.5214   14.5326  C     
13   N        13.8536   -8.5913   11.7417  N     
14   N        12.2805  -10.0530   12.6700  N     
15   N        12.1222  -10.7493   13.7577  N     
16   N        14.0410   -9.6734   13.9246  N     
17   N         7.4406  -12.1306    5.8227  N     
18   S         6.6414  -11.2072    6.9755  S     
19   O         5.2787  -11.9701    7.2605  O     
20   O         6.2374   -9.8323    6.2890  O     
21   N        13.5655   -7.6418    9.5713  N     
22   C        15.0070   -7.3867    9.5214  C     
23   C        15.7516   -7.2329    8.1651  C     
24   C        12.7415   -7.0019    8.5425  C     
25   C        11.1950   -7.1208    8.4744  C     
26   H         7.8329   -8.9235    8.2726  H     
27   H         9.3726   -8.7382   10.0927  H     
28   H         9.0857  -12.8903   10.7895  H     
29   H         7.5336  -13.0803    8.9652  H     
30   H        10.4923  -11.5995   12.0434  H     
31   H        11.4747   -9.3021    9.6737  H     
32   H        13.3527  -10.9352   15.4516  H     
33   H         7.1393  -13.0335    5.6315  H     
34   H         8.1759  -11.7480    5.3179  H     
35   H        15.1992   -6.4751   10.0964  H     
36   H        15.5195   -8.2171   10.0206  H     
37   H        15.5733   -8.1012    7.5249  H     
38   H        16.8248   -7.1622    8.3473  H     
39   H        15.4373   -6.3270    7.6429  H     
40   H        12.9021   -5.9244    8.6479  H     
41   H        13.1303   -7.2942    7.5634  H     
42   H        10.8992   -8.0066    7.9085  H     
43   H        10.7756   -6.2560    7.9527  H     
44   H        10.7624   -7.1527    9.4759  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   21   22 1
    25   21   24 1
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    7   30 1
    33    9   31 1
    34   12   32 1
    35   17   33 1
    36   17   34 1
    37   22   35 1
    38   22   36 1
    39   23   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2291
  Crash		| -1.3579
  Polar		| 3.1162
  FragIndex	| 1
  FragRMSD	| 0.308