@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0645    7.3271   15.3672  C     
2    C        -1.5119    8.2778   16.2402  C     
3    C        -0.3515    8.9772   15.8723  C     
4    C         0.2602    8.7185   14.6319  C     
5    C        -0.2854    7.7546   13.7607  C     
6    C        -1.4445    7.0241   14.1262  C     
7    C        -2.0527    6.0310   13.1969  C     
8    N        -2.6973    4.9560   13.8937  N     
9    C        -4.0052    4.7789   14.0643  C     
10   O        -4.7713    5.5831   13.5504  O     
11   C        -4.5054    3.7334   14.8549  C     
12   C        -3.6735    2.7883   15.5060  C     
13   C        -5.9048    3.5982   15.0458  C     
14   C        -6.4477    2.5717   15.8337  C     
15   C        -5.6064    1.6431   16.4677  C     
16   C        -4.2128    1.7537   16.2961  C     
17   S        -6.2746    0.3653   17.4356  S     
18   O        -6.1310   -0.9552   16.5697  O     
19   O        -5.4475    0.2098   18.7814  O     
20   N        -7.9115    0.5457   17.7578  N     
21   F         0.2865    7.5706   12.5990  F     
22   F         1.3220    9.4029   14.2916  F     
23   H        -2.9255    6.8492   15.6491  H     
24   H        -1.9645    8.4804   17.1339  H     
25   H         0.0369    9.6849   16.4997  H     
26   H        -2.7261    6.5654   12.5245  H     
27   H        -1.2900    5.5583   12.5731  H     
28   H        -2.1080    4.3315   14.3400  H     
29   H        -2.6536    2.8288   15.4254  H     
30   H        -6.5602    4.2559   14.6119  H     
31   H        -7.4611    2.5117   15.9360  H     
32   H        -3.5821    1.0826   16.7473  H     
33   H        -8.3912   -0.1615   18.2107  H     
34   H        -8.3814    1.3509   17.4870  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 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    1   23 1
    25    2   24 1
    26    3   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	| 4.3725
  Crash		| -1.0826
  Polar		| 2.2047
  FragIndex	| 1
  FragRMSD	| 0.898