@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.2299    8.6092   14.1393  C     
2    C         0.6130    9.7574   14.8469  C     
3    C        -0.1357   10.1817   15.9556  C     
4    C        -1.2854    9.4708   16.3310  C     
5    C        -1.6765    8.3148   15.6181  C     
6    C        -0.9101    7.8514   14.5152  C     
7    C        -1.2567    6.6627   13.6794  C     
8    N        -2.0644    5.6547   14.2803  N     
9    C        -3.3984    5.5571   14.2752  C     
10   O        -4.0366    6.4753   13.7515  O     
11   C        -4.0836    4.5188   14.9059  C     
12   C        -5.5049    4.4869   14.9657  C     
13   C        -3.3950    3.4436   15.5301  C     
14   C        -4.0822    2.3973   16.1672  C     
15   C        -5.4856    2.4062   16.2284  C     
16   C        -6.2023    3.4517   15.6178  C     
17   S        -6.3043    1.1210   17.0760  S     
18   O        -6.0488   -0.1735   16.1985  O     
19   O        -5.6304    0.8266   18.4850  O     
20   N        -7.9829    1.1951   17.1629  N     
21   F        -2.7922    7.7447   15.9871  F     
22   F         1.6621   10.4349   14.4698  F     
23   H         0.7821    8.3255   13.3250  H     
24   H         0.1343   11.0150   16.4766  H     
25   H        -1.8522    9.8034   17.1190  H     
26   H        -1.6998    7.0247   12.7407  H     
27   H        -0.3340    6.1473   13.4063  H     
28   H        -1.5773    4.9332   14.7155  H     
29   H        -6.0623    5.2312   14.5384  H     
30   H        -2.3728    3.4039   15.5407  H     
31   H        -3.5422    1.6429   16.6063  H     
32   H        -7.2214    3.4771   15.6558  H     
33   H        -8.4953    0.4077   16.8937  H     
34   H        -8.4289    2.0528   17.2203  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    3   24 1
    26    4   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	| 5.1018
  Crash		| -0.9129
  Polar		| 1.8674
  FragIndex	| 1
  FragRMSD	| 0.880