@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0480    7.4720   15.2757  C     
2    C        -1.3746    8.3940   16.0987  C     
3    C        -0.1569    8.9584   15.6809  C     
4    C         0.3966    8.5790   14.4440  C     
5    C        -0.2636    7.6413   13.6240  C     
6    C        -1.5046    7.0768   14.0215  C     
7    C        -2.2625    6.1717   13.1083  C     
8    N        -2.8431    5.0510   13.8022  N     
9    C        -4.1371    4.7305   13.8733  C     
10   O        -4.9398    5.4152   13.2457  O     
11   C        -4.6284    3.6960   14.6969  C     
12   C        -6.0240    3.5726   14.9446  C     
13   C        -3.7737    2.7487   15.3237  C     
14   C        -4.2835    1.7417   16.1633  C     
15   C        -5.6696    1.6503   16.4014  C     
16   C        -6.5340    2.5773   15.7940  C     
17   S        -6.2933    0.3883   17.4296  S     
18   O        -6.0948   -0.9256   16.5604  O     
19   O        -5.4644    0.2062   18.7752  O     
20   N        -7.9534    0.4087   17.6872  N     
21   F         0.2947    7.3511   12.4778  F     
22   F         0.4525    9.8412   16.4272  F     
23   F        -3.1950    7.0164   15.6940  F     
24   H        -1.7836    8.6683   16.9942  H     
25   H         1.2814    9.0020   14.1404  H     
26   H        -3.0213    6.7896   12.6182  H     
27   H        -1.6322    5.7662   12.3236  H     
28   H        -2.2200    4.4881   14.2836  H     
29   H        -6.6960    4.2114   14.5157  H     
30   H        -2.7674    2.7617   15.1620  H     
31   H        -3.6377    1.0728   16.5962  H     
32   H        -7.5418    2.5337   15.9614  H     
33   H        -8.4297   -0.4356   17.7973  H     
34   H        -8.4571    1.2341   17.5784  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 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    2   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	| 4.3217
  Crash		| -1.1160
  Polar		| 2.2321
  FragIndex	| 1
  FragRMSD	| 0.850