@<TRIPOS>MOLECULE
BindingDB_7683
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8088   49.8831   15.2522  C     
2    C        -7.2900   50.4679   16.4238  C     
3    C        -7.5093   51.8332   16.6863  C     
4    C        -8.2800   52.6090   15.7951  C     
5    C        -8.5323   50.6707   14.3228  C     
6    C        -9.0978   50.4283   13.0735  C     
7    C        -8.8037   52.0009   14.6449  C     
8    N        -9.5960   52.4973   13.6924  N     
9    C        -9.8195   51.5634   12.7990  C     
10   O       -10.5263   51.8202   11.8322  O     
11   N        -9.5710   49.2444   11.1013  N     
12   C        -9.6797   48.2695   10.1540  C     
13   C       -10.0699   46.4652    7.9769  C     
14   C       -10.7607   47.6945    8.0182  C     
15   C       -10.5599   48.5841    9.0902  C     
16   C        -9.0364   47.0022   10.1265  C     
17   C        -9.2151   46.1196    9.0415  C     
18   O        -8.8430   45.0958    5.9670  O     
19   S       -10.2630   45.3682    6.6320  S     
20   O       -10.8319   44.0086    7.2321  O     
21   N       -11.3682   45.8651    5.4722  N     
22   C        -8.8336   49.3939   12.2265  C     
23   C        -7.6302   48.5868   12.4114  C     
24   H        -7.6595   48.8870   15.0971  H     
25   H        -6.7469   49.8979   17.0766  H     
26   H        -7.1125   52.2575   17.5282  H     
27   H        -8.4487   53.5942   15.9777  H     
28   H        -9.9751   53.3947   13.6759  H     
29   H       -10.1682   49.9827   10.9262  H     
30   H       -11.4082   47.9552    7.2769  H     
31   H       -11.0666   49.4695    9.0816  H     
32   H        -8.4152   46.7038   10.8731  H     
33   H        -8.7202   45.2240    9.0334  H     
34   H       -11.7330   45.2119    4.8541  H     
35   H       -11.6605   46.7906    5.4340  H     
36   H        -6.8035   49.1666   12.8255  H     
37   H        -7.2575   48.2052   11.4691  H     
38   H        -7.8373   47.7450   13.0636  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   22   23 1
    26    1   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   23   36 1
    39   23   37 1
    40   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3544
  Crash		| -1.4376
  Polar		| 2.7966
  FragIndex	| 1
  FragRMSD	| 0.862