@<TRIPOS>MOLECULE
BindingDB_12022
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4296    8.7244   14.2487  C     
2    C        -2.6148    9.9871   14.8386  C     
3    C        -3.7311   10.7766   14.4900  C     
4    C        -4.6394   10.3041   13.5182  C     
5    C        -4.4322    9.0541   12.9041  C     
6    C        -3.3277    8.2440   13.2664  C     
7    C        -3.0939    6.9230   12.6209  C     
8    N        -3.5189    5.8456   13.4734  N     
9    C        -4.7475    5.3404   13.5563  C     
10   O        -5.6317    5.8504   12.8661  O     
11   C        -5.0598    4.2665   14.3953  C     
12   C        -6.4096    3.9488   14.6953  C     
13   C        -4.0573    3.4385   14.9720  C     
14   C        -4.3932    2.3285   15.7720  C     
15   C        -5.7446    2.0201   16.0327  C     
16   C        -6.7487    2.8543   15.5072  C     
17   S        -6.1569    0.5957   16.9490  S     
18   O        -5.3788    0.6965   18.3300  O     
19   O        -7.7180    0.4278   17.2170  O     
20   N        -5.5585   -0.7721   16.1928  N     
21   F        -3.9181   11.9433   15.0561  F     
22   F        -5.6826   11.0265   13.1853  F     
23   F        -1.7512   10.4171   15.7203  F     
24   H        -1.6276    8.1559   14.5303  H     
25   H        -5.0943    8.7325   12.1934  H     
26   H        -3.5891    6.8525   11.6600  H     
27   H        -2.0262    6.8080   12.4345  H     
28   H        -2.8213    5.4216   14.0036  H     
29   H        -7.1746    4.5163   14.3220  H     
30   H        -3.0658    3.6082   14.7929  H     
31   H        -3.6472    1.7363   16.1504  H     
32   H        -7.7330    2.6627   15.7027  H     
33   H        -5.2433   -1.5152   16.7380  H     
34   H        -5.2603   -0.7145   15.2684  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   23 1
     5    3    4 2
     6    3   21 1
     7    4    5 1
     8    4   22 1
     9    5    6 2
    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    5   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	| 4.9694
  Crash		| -0.9075
  Polar		| 2.6962
  FragIndex	| 1
  FragRMSD	| 0.280