@<TRIPOS>MOLECULE
BindingDB_12017
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.6596    7.9747   12.2470  C     
2    C        -8.0319    7.6244   13.5621  C     
3    C        -7.3044    8.1251   14.6596  C     
4    C        -6.2100    8.9827   14.4430  C     
5    C        -5.8421    9.3426   13.1310  C     
6    F        -7.6484    7.7957   15.8778  F     
7    C        -6.5607    8.8390   12.0164  C     
8    C        -6.1833    9.1708   10.6136  C     
9    N        -7.2397    9.8974    9.9717  N     
10   C        -8.1707    9.4114    9.1558  C     
11   O        -8.2404    8.1931    9.0078  O     
12   C        -9.0973   10.2510    8.5225  C     
13   C        -8.8160   11.6261    8.2925  C     
14   C       -10.3485    9.7603    8.0745  C     
15   C       -11.2709   10.5948    7.4131  C     
16   C       -10.9693   11.9465    7.1723  C     
17   C        -9.7352   12.4596    7.6216  C     
18   S       -12.0929   12.9663    6.3164  S     
19   O       -11.3356   13.4003    4.9848  O     
20   O       -13.4121   12.2018    5.8643  O     
21   N       -12.4858   14.3954    7.1097  N     
22   F        -4.8297   10.1593   12.9860  F     
23   H        -8.1923    7.6043   11.4496  H     
24   H        -8.8316    7.0009   13.7128  H     
25   H        -5.6848    9.3406   15.2423  H     
26   H        -5.2914    9.7959   10.5720  H     
27   H        -5.9331    8.2415   10.0924  H     
28   H        -7.2801   10.8462   10.1688  H     
29   H        -7.9242   12.0316    8.5920  H     
30   H       -10.6148    8.7856    8.2396  H     
31   H       -12.1619   10.2019    7.1073  H     
32   H        -9.4916   13.4389    7.4571  H     
33   H       -12.6193   15.2128    6.5960  H     
34   H       -12.6473   14.3899    8.0649  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    5   22 1
     9    7    8 1
    10    8    9 1
    11    9   10 am
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   12   14 2
    16   13   17 2
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   18 1
    21   18   19 2
    22   18   20 2
    23   18   21 am
    24    1   23 1
    25    2   24 1
    26    4   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7815
  Crash		| -0.5236
  Polar		| 1.4274
  FragIndex	| 1
  FragRMSD	| 0.126