@<TRIPOS>MOLECULE
BindingDB_12017
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.2451    7.6031   13.5964  C     
2    C         0.4031    8.5770   14.3796  C     
3    C        -0.1455    8.9714   15.6121  C     
4    C        -1.3421    8.3871   16.0624  C     
5    C        -2.0142    7.4358   15.2669  C     
6    F         0.4590    9.8708   16.3413  F     
7    C        -1.4700    7.0250   14.0182  C     
8    C        -2.1833    6.0730   13.1230  C     
9    N        -2.7988    5.0147   13.8691  N     
10   C        -4.0988    4.7617   13.9796  C     
11   O        -4.8904    5.4796   13.3811  O     
12   C        -4.5931    3.7260   14.7901  C     
13   C        -3.7442    2.7871   15.4321  C     
14   C        -5.9885    3.5867   15.0154  C     
15   C        -6.5087    2.5728   15.8340  C     
16   C        -5.6476    1.6477   16.4536  C     
17   C        -4.2593    1.7624   16.2489  C     
18   S        -6.2835    0.3584   17.4293  S     
19   O        -6.0944   -0.9466   16.5442  O     
20   O        -5.4689    0.1663   18.7795  O     
21   N        -7.9416    0.4261   17.6932  N     
22   F        -3.1460    6.9558   15.7128  F     
23   H         0.1748    7.3465   12.7011  H     
24   H         1.2764    8.9986   14.0508  H     
25   H        -1.7314    8.6667   16.9647  H     
26   H        -2.9009    6.6526   12.5363  H     
27   H        -1.4995    5.6031   12.4134  H     
28   H        -2.1906    4.4318   14.3511  H     
29   H        -2.7293    2.8304   15.3113  H     
30   H        -6.6623    4.2253   14.5815  H     
31   H        -7.5202    2.5139   15.9702  H     
32   H        -3.6156    1.0996   16.6875  H     
33   H        -8.4482   -0.4061   17.7804  H     
34   H        -8.4194    1.2584   17.5625  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    5   22 1
     9    7    8 1
    10    8    9 1
    11    9   10 am
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   12   14 2
    16   13   17 2
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   18 1
    21   18   19 2
    22   18   20 2
    23   18   21 am
    24    1   23 1
    25    2   24 1
    26    4   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6365
  Crash		| -0.8306
  Polar		| 2.1588
  FragIndex	| 1
  FragRMSD	| 0.851