@<TRIPOS>MOLECULE
BindingDB_8049
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7912   43.0148   25.5472  C     
2    C        15.9257   44.0273   23.4806  C     
3    C        14.5617   44.3373   23.7131  C     
4    N        16.5495   43.3500   24.4844  N     
5    C        16.2351   42.2675   26.7308  C     
6    C        16.7220   44.3869   22.2964  C     
7    S        14.2238   43.6530   25.2620  S     
8    C        13.5774   45.0771   23.0025  C     
9    C        13.7003   45.5506   21.6733  C     
10   C        12.6433   46.2944   21.1181  C     
11   C        11.4005   46.1079   23.1316  C     
12   N        12.4185   45.3796   23.6622  N     
13   N        11.5350   46.5499   21.8522  N     
14   N        10.2585   46.4351   23.7850  N     
15   C         9.8610   46.2056   25.0784  C     
16   C         8.0299   46.4453   26.7038  C     
17   C         8.5360   46.5961   25.4006  C     
18   C        10.6629   45.6716   26.1137  C     
19   C        10.1581   45.5193   27.4230  C     
20   C         8.8296   45.9061   27.7394  C     
21   C         8.2627   45.7485   29.1104  C     
22   F         9.1243   45.2148   30.0412  F     
23   F         7.8610   46.9712   29.5915  F     
24   F         7.1656   44.9250   29.0736  F     
25   H        16.5508   41.2641   26.4369  H     
26   H        15.4166   42.1690   27.4527  H     
27   H        17.0695   42.7807   27.2123  H     
28   H        16.3116   43.8979   21.4142  H     
29   H        17.7613   44.0600   22.4031  H     
30   H        16.7225   45.4730   22.1539  H     
31   H        14.5238   45.3804   21.0963  H     
32   H        12.7045   46.6633   20.1614  H     
33   H         9.6096   46.9133   23.2426  H     
34   H         7.0659   46.7405   26.9010  H     
35   H         7.9228   47.0032   24.6859  H     
36   H        11.6371   45.4240   25.9383  H     
37   H        10.7814   45.1430   28.1433  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   21   22 1
    25   21   23 1
    26   21   24 1
    27    5   25 1
    28    5   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    6   30 1
    33    9   31 1
    34   10   32 1
    35   14   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   19   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3708
  Crash		| -0.7704
  Polar		| 2.0636
  FragIndex	| 1
  FragRMSD	| 0.543