@<TRIPOS>MOLECULE
BindingDB_12022
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.2493    8.6013   14.1222  C     
2    C         0.5470    9.6726   14.9926  C     
3    C        -0.2606    9.9073   16.1141  C     
4    C        -1.3660    9.0682   16.3683  C     
5    C        -1.6661    8.0068   15.4923  C     
6    C        -0.8586    7.7538   14.3557  C     
7    C        -1.1507    6.6492   13.3929  C     
8    N        -1.9520    5.6038   13.9553  N     
9    C        -3.2647    5.4309   13.8358  C     
10   O        -3.9007    6.2162   13.1359  O     
11   C        -3.9493    4.4516   14.5804  C     
12   C        -5.3683    4.4108   14.5811  C     
13   C        -3.2684    3.4814   15.3705  C     
14   C        -3.9731    2.4945   16.0884  C     
15   C        -5.3758    2.4733   16.0624  C     
16   C        -6.0718    3.4333   15.3036  C     
17   S        -6.2328    1.2662   16.9747  S     
18   O        -6.1963   -0.0384   16.0763  O     
19   O        -5.4735    0.9327   18.3298  O     
20   N        -7.8433    1.6677   17.2366  N     
21   F         0.0059   10.8990   16.9204  F     
22   F        -2.1289    9.2743   17.4064  F     
23   F         1.5805   10.4251   14.7458  F     
24   H         0.8509    8.4341   13.3063  H     
25   H        -2.4882    7.4323   15.6847  H     
26   H        -1.5998    7.0722   12.4871  H     
27   H        -0.2086    6.1856   13.0883  H     
28   H        -1.5006    5.0247   14.5786  H     
29   H        -5.9096    5.0901   14.0491  H     
30   H        -2.2450    3.4651   15.4315  H     
31   H        -3.4508    1.8010   16.6206  H     
32   H        -7.0936    3.4287   15.2554  H     
33   H        -8.4890    0.9714   17.4148  H     
34   H        -8.1144    2.5979   17.2358  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   23 1
     5    3    4 2
     6    3   21 1
     7    4    5 1
     8    4   22 1
     9    5    6 2
    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    5   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	| 4.7098
  Crash		| -1.3363
  Polar		| 2.4264
  FragIndex	| 1
  FragRMSD	| 0.925