@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.3184    7.7021   13.6590  C     
2    C         0.3543    8.6360   14.4672  C     
3    C        -0.1454    8.9474   15.7428  C     
4    C        -1.3335    8.3486   16.1950  C     
5    C        -2.0264    7.4364   15.3728  C     
6    C        -1.5236    7.0912   14.0908  C     
7    C        -2.2602    6.1933   13.1608  C     
8    N        -2.8424    5.0777   13.8394  N     
9    C        -4.1407    4.8326   14.0076  C     
10   O        -4.9480    5.5980   13.4894  O     
11   C        -4.6223    3.7748   14.7893  C     
12   C        -3.7616    2.8416   15.4292  C     
13   C        -6.0158    3.6055   15.0083  C     
14   C        -6.5275    2.5754   15.8181  C     
15   C        -5.6497    1.6662   16.4372  C     
16   C        -4.2653    1.8003   16.2298  C     
17   S        -6.2563    0.3328   17.3792  S     
18   O        -6.0595   -0.9449   16.4615  O     
19   O        -5.4158    0.1465   18.7145  O     
20   N        -7.8995    0.3935   17.7184  N     
21   F        -3.1544    6.9393   15.8180  F     
22   F         1.4374    9.2260   14.0304  F     
23   H         0.0584    7.5038   12.7278  H     
24   H         0.3388    9.6156   16.3412  H     
25   H        -1.6979    8.5877   17.1190  H     
26   H        -3.0001    6.8159   12.6536  H     
27   H        -1.6055    5.7965   12.3895  H     
28   H        -2.2186    4.4533   14.2363  H     
29   H        -2.7456    2.9035   15.3191  H     
30   H        -6.6957    4.2390   14.5765  H     
31   H        -7.5379    2.4942   15.9483  H     
32   H        -3.6103    1.1439   16.6655  H     
33   H        -8.3518   -0.4210   18.0140  H     
34   H        -8.4308    1.1522   17.4274  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 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    3   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	| 4.3807
  Crash		| -0.9940
  Polar		| 2.1356
  FragIndex	| 1
  FragRMSD	| 0.881