@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.6681    7.9949   12.2572  C     
2    C        -8.0298    7.6422   13.5742  C     
3    C        -7.2734    8.1152   14.6658  C     
4    C        -6.1636    8.9584   14.4372  C     
5    C        -5.8070    9.3216   13.1167  C     
6    C        -6.5528    8.8337   12.0099  C     
7    C        -6.2006    9.1613   10.6035  C     
8    N        -7.2652    9.8804    9.9742  N     
9    C        -8.1836    9.4020    9.1402  C     
10   O        -8.2318    8.1905    8.9508  O     
11   C        -9.1139   10.2443    8.5243  C     
12   C       -10.3634    9.7450    8.0716  C     
13   C        -8.8366   11.6181    8.2913  C     
14   C        -9.7476   12.4467    7.6119  C     
15   C       -10.9825   11.9293    7.1656  C     
16   C       -11.2870   10.5701    7.4052  C     
17   S       -12.1001   12.9481    6.3010  S     
18   O       -11.3244   13.4288    4.9973  O     
19   O       -13.4075   12.1698    5.8391  O     
20   N       -12.5324   14.3492    7.1262  N     
21   F        -4.7807   10.1145   12.9458  F     
22   F        -7.6136    7.7754   15.8841  F     
23   F        -5.4672    9.4009   15.4513  F     
24   H        -8.2224    7.6316   11.4716  H     
25   H        -8.8392    7.0360   13.7301  H     
26   H        -5.3100    9.7855   10.5430  H     
27   H        -5.9575    8.2280   10.0863  H     
28   H        -7.3166   10.8254   10.1837  H     
29   H       -10.6238    8.7676    8.2301  H     
30   H        -7.9487   12.0279    8.5938  H     
31   H        -9.5044   13.4250    7.4352  H     
32   H       -12.1763   10.1753    7.0884  H     
33   H       -12.8295   15.1338    6.6228  H     
34   H       -12.6067   14.3373    8.0969  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    2   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8303
  Crash		| -0.5127
  Polar		| 1.3785
  FragIndex	| 1
  FragRMSD	| 0.127