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


@<TRIPOS>ATOM
1    C        -0.6798    7.5318   12.4048  C     
2    C         0.5753    8.0083   12.8274  C     
3    C         0.7009    8.6586   14.0707  C     
4    C        -0.4282    8.8087   14.9008  C     
5    C        -1.6827    8.3297   14.4747  C     
6    C        -1.8285    7.6944   13.2199  C     
7    C        -3.1652    7.2402   12.7668  C     
8    N        -3.6080    6.1314   13.5625  N     
9    C        -4.6844    6.0623   14.3438  C     
10   O        -5.3941    7.0600   14.4541  O     
11   C        -5.0384    4.8876   15.0188  C     
12   C        -6.3259    4.7367   15.5993  C     
13   C        -4.1439    3.7894   15.1440  C     
14   C        -4.5244    2.5962   15.7861  C     
15   C        -5.8188    2.4611   16.3205  C     
16   C        -6.7120    3.5488   16.2400  C     
17   S        -6.2965    0.9799   17.1096  S     
18   O        -6.0342   -0.2280   16.1143  O     
19   O        -5.4261    0.7625   18.4236  O     
20   N        -7.9375    0.8815   17.4534  N     
21   F         1.8575    9.1324   14.4478  F     
22   F        -0.3293    9.4058   16.0594  F     
23   F         1.6121    7.8580   12.0483  F     
24   H        -0.7521    7.0753   11.4936  H     
25   H        -2.5007    8.4598   15.0807  H     
26   H        -3.8490    8.0928   12.8004  H     
27   H        -3.1371    6.9010   11.7294  H     
28   H        -3.0613    5.3295   13.4956  H     
29   H        -7.0153    5.4922   15.5447  H     
30   H        -3.1948    3.8404   14.7689  H     
31   H        -3.8431    1.8341   15.8543  H     
32   H        -7.6469    3.4874   16.6486  H     
33   H        -8.3346    0.0066   17.6065  H     
34   H        -8.5080    1.6502   17.3027  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	| 4.6860
  Crash		| -1.0204
  Polar		| 2.8620
  FragIndex	| 1
  FragRMSD	| 0.811