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


@<TRIPOS>ATOM
1    C        -2.0395    7.4730   15.3294  C     
2    C        -1.3906    8.4099   16.1624  C     
3    C        -0.1853    9.0007   15.7602  C     
4    C         0.3874    8.6449   14.5283  C     
5    C        -0.2462    7.6966   13.6976  C     
6    C        -1.4718    7.0973   14.0824  C     
7    C        -2.1936    6.1679   13.1638  C     
8    N        -2.7935    5.0555   13.8579  N     
9    C        -4.0896    4.7407   13.9130  C     
10   O        -4.8805    5.4318   13.2756  O     
11   C        -4.5963    3.7128   14.7267  C     
12   C        -3.7556    2.7553   15.3556  C     
13   C        -5.9903    3.5961   14.9814  C     
14   C        -6.5102    2.6042   15.8315  C     
15   C        -5.6545    1.6698   16.4412  C     
16   C        -4.2755    1.7498   16.1949  C     
17   S        -6.2870    0.4083   17.4665  S     
18   O        -6.1098   -0.9063   16.5962  O     
19   O        -5.4480    0.1997   18.8014  O     
20   N        -7.9455    0.4370   17.7404  N     
21   F         0.3278    7.4316   12.5489  F     
22   F        -3.1779    6.9937   15.7390  F     
23   H        -1.8149    8.6768   17.0573  H     
24   H         0.2747    9.6935   16.3619  H     
25   H         1.2602    9.0961   14.2364  H     
26   H        -2.9396    6.7708   12.6323  H     
27   H        -1.5305    5.7517   12.4064  H     
28   H        -2.1838    4.5026   14.3643  H     
29   H        -2.7447    2.7574   15.1915  H     
30   H        -6.6581    4.2428   14.5503  H     
31   H        -7.5190    2.5651   15.9941  H     
32   H        -3.6312    1.0710   16.6155  H     
33   H        -8.4165   -0.4137   17.8300  H     
34   H        -8.4498    1.2409   17.5759  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	| 4.4654
  Crash		| -1.0936
  Polar		| 2.3270
  FragIndex	| 1
  FragRMSD	| 0.873