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


@<TRIPOS>ATOM
1    C        -1.6849    7.6146   10.6235  C     
2    C        -0.6863    8.5087   11.0510  C     
3    C        -0.1887    8.4332   12.3686  C     
4    C        -0.7004    7.4635   13.2535  C     
5    C        -1.7001    6.5726   12.8207  C     
6    C        -2.2019    6.6256   11.4951  C     
7    C        -3.2335    5.6822   10.9797  C     
8    N        -3.7037    4.7503   11.9584  N     
9    C        -4.9394    4.5911   12.4441  C     
10   O        -5.8363    5.3206   12.0183  O     
11   C        -5.2033    3.6989   13.4845  C     
12   C        -6.4141    3.7646   14.2283  C     
13   C        -4.2757    2.6831   13.8509  C     
14   C        -4.5378    1.7898   14.9026  C     
15   C        -5.7459    1.8743   15.6265  C     
16   C        -6.6769    2.8736   15.2842  C     
17   S        -6.0626    0.7350   16.9031  S     
18   O        -5.9660   -0.7011   16.2337  O     
19   O        -4.9372    0.8249   18.0231  O     
20   N        -7.5735    0.7865   17.6283  N     
21   F         0.7530    9.2486   12.7609  F     
22   F        -0.2369    7.3668   14.4731  F     
23   F        -0.2061    9.3908   10.2183  F     
24   H        -2.0293    7.6779    9.6619  H     
25   H        -2.0526    5.8826   13.4902  H     
26   H        -4.0530    6.2714   10.5576  H     
27   H        -2.8026    5.0932   10.1682  H     
28   H        -3.0322    4.1491   12.3176  H     
29   H        -7.1191    4.4770   14.0170  H     
30   H        -3.3965    2.5644   13.3449  H     
31   H        -3.8402    1.0785   15.1378  H     
32   H        -7.5480    2.9713   15.8091  H     
33   H        -7.8221    0.0925   18.2588  H     
34   H        -8.1326    1.5724   17.5311  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	| 4.4519
  Crash		| -0.5034
  Polar		| 3.8123
  FragIndex	| 1
  FragRMSD	| 0.829