@<TRIPOS>MOLECULE
BindingDB_7702
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.5927   49.9303   41.8777  C     
2    C        -6.9142   50.5255   42.9777  C     
3    C        -7.1670   51.8585   43.3604  C     
4    C        -8.1077   52.6310   42.6624  C     
5    C        -8.5743   50.7034   41.1945  C     
6    C        -9.3970   50.5175   40.0927  C     
7    C        -8.7988   52.0227   41.6090  C     
8    N        -9.6977   52.5688   40.7898  N     
9    C       -10.0502   51.6858   39.8866  C     
10   O       -10.8197   51.9931   38.9836  O     
11   N       -10.3933   49.2909   38.3027  N     
12   C       -10.3805   48.3678   37.2990  C     
13   C       -10.4783   46.5656   35.0880  C     
14   C       -11.5349   47.4722   35.3276  C     
15   C       -11.4767   48.3703   36.4092  C     
16   C        -9.3304   47.4405   37.0808  C     
17   C        -9.3746   46.5588   35.9751  C     
18   O        -9.1227   45.7842   32.9132  O     
19   S       -10.4889   45.5192   33.6847  S     
20   O       -10.5307   44.0081   34.1848  O     
21   N       -11.7367   45.7807   32.5951  N     
22   C        -7.1945   48.5546   41.4743  C     
23   C        -9.5626   49.4006   39.3426  C     
24   O        -6.6945   48.5651   40.1347  O     
25   H        -6.2037   50.0121   43.5040  H     
26   H        -6.6329   52.2886   44.1242  H     
27   H        -8.2653   53.6061   42.8922  H     
28   H       -10.0062   53.4976   40.8241  H     
29   H       -11.0879   49.9443   38.2535  H     
30   H       -12.3494   47.4894   34.7012  H     
31   H       -12.2515   49.0245   36.5427  H     
32   H        -8.5155   47.4340   37.6930  H     
33   H        -8.5929   45.9201   35.8059  H     
34   H       -11.7380   45.2863   31.7645  H     
35   H       -12.2883   46.5930   32.6726  H     
36   H        -6.4072   48.1477   42.1044  H     
37   H        -8.0525   47.8806   41.5475  H     
38   H        -9.0793   48.5560   39.5949  H     
39   H        -6.1222   47.7496   40.0662  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   23 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   23 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   22   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   11   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7107
  Crash		| -0.9232
  Polar		| 3.9138
  FragIndex	| 1
  FragRMSD	| 0.867