@<TRIPOS>MOLECULE
BindingDB_7682
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.9616   49.7902   42.0097  C     
2    C        -7.2431   50.2614   43.1282  C     
3    C        -7.3319   51.6172   43.5154  C     
4    C        -8.1521   52.5088   42.7960  C     
5    C        -8.7636   50.6942   41.2803  C     
6    C        -9.5277   50.5624   40.1403  C     
7    C        -8.8642   52.0245   41.6897  C     
8    N        -9.6810   52.6437   40.8305  N     
9    C       -10.0753   51.7840   39.9111  C     
10   O       -10.7772   52.1173   38.9657  O     
11   N       -10.3961   49.3395   38.3140  N     
12   C       -10.3429   48.4016   37.3264  C     
13   C       -10.3329   46.5638   35.1356  C     
14   C        -9.3320   46.5015   36.1271  C     
15   C        -9.3428   47.4005   37.2193  C     
16   C       -11.3554   48.4329   36.3419  C     
17   C       -11.3539   47.5246   35.2627  C     
18   O        -8.8817   45.7713   32.9815  O     
19   S       -10.2528   45.5067   33.7509  S     
20   O       -10.2779   44.0088   34.2947  O     
21   N       -11.5403   45.6707   32.6896  N     
22   C        -9.6132   49.4458   39.3862  C     
23   H        -7.8874   48.8058   41.7382  H     
24   H        -6.6456   49.6244   43.6551  H     
25   H        -6.7966   51.9589   44.3085  H     
26   H        -8.2178   53.4950   43.0512  H     
27   H        -9.9190   53.5856   40.8567  H     
28   H       -11.0761   50.0204   38.1990  H     
29   H        -8.5749   45.8116   36.0531  H     
30   H        -8.5875   47.3442   37.9113  H     
31   H       -12.1085   49.1339   36.4006  H     
32   H       -12.1074   47.5804   34.5748  H     
33   H       -11.7086   44.9560   32.0418  H     
34   H       -11.9257   46.5587   32.5359  H     
35   H        -9.0916   48.6477   39.6544  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    4    7 2
     6    5    6 1
     7    5    7 1
     8    6    9 1
     9    6   22 2
    10    7    8 1
    11    8    9 1
    12    9   10 2
    13   11   12 1
    14   11   22 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   13   19 1
    20   14   15 1
    21   16   17 2
    22   18   19 2
    23   19   20 2
    24   19   21 am
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    8   27 1
    30   11   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   21   33 1
    36   21   34 1
    37   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2685
  Crash		| -0.7451
  Polar		| 3.9482
  FragIndex	| 1
  FragRMSD	| 1.014