@<TRIPOS>MOLECULE
BindingDB_12023
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6516    8.2933   14.4688  C     
2    C        -0.4038    8.7998   14.8855  C     
3    C         0.7268    8.6546   14.0599  C     
4    C         0.6153    7.9867   12.8265  C     
5    C        -0.6310    7.4799   12.4065  C     
6    C        -1.7846    7.6334   13.2188  C     
7    C        -3.1210    7.1479   12.7736  C     
8    N        -3.5557    6.0618   13.6002  N     
9    C        -4.6732    5.9885   14.3208  C     
10   O        -5.4378    6.9505   14.3268  O     
11   C        -5.0235    4.8237   15.0202  C     
12   C        -4.1032    3.7664   15.2442  C     
13   C        -6.3404    4.6485   15.5192  C     
14   C        -6.7292    3.4664   16.1712  C     
15   C        -5.8089    2.4195   16.3606  C     
16   C        -4.4871    2.5852   15.9069  C     
17   S        -6.2838    0.9425   17.1497  S     
18   O        -6.0263   -0.2491   16.1312  O     
19   O        -5.4158    0.7015   18.4582  O     
20   N        -7.9176    0.8451   17.5131  N     
21   F        -0.6900    6.8723   11.2480  F     
22   F        -2.6855    8.4640   15.2546  F     
23   F         1.6719    7.8444   12.0682  F     
24   F         1.8817    9.1360   14.4369  F     
25   F        -0.2970    9.4160   16.0346  F     
26   H        -3.8155    7.9919   12.7735  H     
27   H        -3.0983    6.7679   11.7518  H     
28   H        -2.9870    5.2764   13.5927  H     
29   H        -3.1333    3.8392   14.9318  H     
30   H        -7.0488    5.3770   15.3963  H     
31   H        -7.6924    3.3821   16.5002  H     
32   H        -3.7944    1.8444   16.0474  H     
33   H        -8.3330   -0.0297   17.5521  H     
34   H        -8.4765    1.6292   17.4042  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    2   25 1
     6    3    4 2
     7    3   24 1
     8    4    5 1
     9    4   23 1
    10    5    6 2
    11    5   21 1
    12    6    7 1
    13    7    8 1
    14    8    9 am
    15    9   10 2
    16    9   11 1
    17   11   12 1
    18   11   13 2
    19   12   16 2
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   17   18 2
    25   17   19 2
    26   17   20 am
    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	| 4.6608
  Crash		| -1.1052
  Polar		| 2.8111
  FragIndex	| 1
  FragRMSD	| 0.771