@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7851    8.0032   15.5409  C     
2    C        -1.4408    9.0406   16.4289  C     
3    C        -0.3664    9.8990   16.1242  C     
4    C         0.3526    9.7254   14.9279  C     
5    C         0.0038    8.6892   14.0330  C     
6    C        -1.0671    7.8030   14.3334  C     
7    C        -1.4095    6.7174   13.3670  C     
8    N        -2.1746    5.6517   13.9323  N     
9    C        -3.4957    5.5401   13.9636  C     
10   O        -4.1689    6.3933   13.3961  O     
11   C        -4.1400    4.5198   14.6839  C     
12   C        -3.4149    3.4902   15.3471  C     
13   C        -5.5575    4.4841   14.7971  C     
14   C        -6.2115    3.4755   15.5216  C     
15   C        -5.4742    2.4612   16.1567  C     
16   C        -4.0728    2.4739   16.0640  C     
17   S        -6.2594    1.1999   17.0547  S     
18   O        -6.0877   -0.1007   16.1577  O     
19   O        -5.5468    0.9529   18.4586  O     
20   N        -7.9187    1.3774   17.2387  N     
21   F         0.6844    8.5637   12.9220  F     
22   F        -0.0577   10.8638   16.9508  F     
23   F         1.3488   10.5205   14.6444  F     
24   H        -2.5806    7.4108   15.7877  H     
25   H        -1.9773    9.1695   17.2900  H     
26   H        -1.9084    7.1638   12.5024  H     
27   H        -0.4880    6.2543   13.0147  H     
28   H        -1.6610    4.9513   14.3623  H     
29   H        -2.3920    3.4599   15.3203  H     
30   H        -6.1305    5.2025   14.3524  H     
31   H        -7.2297    3.4992   15.5900  H     
32   H        -3.5117    1.7546   16.5264  H     
33   H        -8.4715    0.5852   17.3420  H     
34   H        -8.3284    2.2536   17.1670  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    2   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	| 5.0282
  Crash		| -0.8647
  Polar		| 2.1389
  FragIndex	| 1
  FragRMSD	| 0.871