@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.5109    7.6487   13.4152  C     
2    C        -2.5843    8.9605   13.9218  C     
3    C        -2.0139    9.2709   15.1657  C     
4    C        -1.3955    8.2626   15.9253  C     
5    C        -1.3178    6.9497   15.4236  C     
6    C        -1.8477    6.6313   14.1454  C     
7    C        -1.7342    5.2464   13.6112  C     
8    N        -2.6952    4.4075   14.2485  N     
9    C        -3.2823    3.3443   13.7096  C     
10   O        -2.9700    2.9847   12.5794  O     
11   C        -4.2272    2.6138   14.4315  C     
12   C        -5.3430    3.2455   15.0391  C     
13   C        -4.0921    1.2118   14.5943  C     
14   C        -5.0060    0.4800   15.3723  C     
15   C        -6.0936    1.1293   15.9896  C     
16   C        -6.2690    2.5139   15.8022  C     
17   S        -7.1687    0.2532   17.0369  S     
18   O        -8.6118    0.9085   17.1471  O     
19   O        -7.3439   -1.2024   16.4292  O     
20   N        -6.5083    0.0184   18.5617  N     
21   F        -0.7727    6.0289   16.1802  F     
22   F        -3.0913    7.4106   12.2666  F     
23   H        -3.0385    9.6992   13.3793  H     
24   H        -2.0667   10.2267   15.5236  H     
25   H        -1.0023    8.4926   16.8395  H     
26   H        -1.9068    5.2197   12.5306  H     
27   H        -0.7234    4.8646   13.7874  H     
28   H        -2.9310    4.6337   15.1634  H     
29   H        -5.5016    4.2502   14.9291  H     
30   H        -3.3013    0.7110   14.1806  H     
31   H        -4.8570   -0.5238   15.5000  H     
32   H        -7.0517    3.0063   16.2406  H     
33   H        -6.6328   -0.8353   19.0075  H     
34   H        -6.1903    0.7823   19.0664  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 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    2   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	| 3.3531
  Crash		| -1.4405
  Polar		| 1.8742
  FragIndex	| 1
  FragRMSD	| 0.989