@<TRIPOS>MOLECULE
BindingDB_12023
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.5930    6.6468   12.7896  C     
2    C        -0.5759    7.5523   13.1537  C     
3    C        -0.1161    8.5120   12.2318  C     
4    C        -0.6749    8.5652   10.9437  C     
5    C        -1.6909    7.6581   10.5743  C     
6    C        -2.1695    6.6798   11.4865  C     
7    C        -3.2528    5.7555   11.0228  C     
8    N        -3.7048    4.7694   11.9635  N     
9    C        -4.9287    4.5975   12.4604  C     
10   O        -5.8405    5.3024   12.0387  O     
11   C        -5.1871    3.6775   13.4905  C     
12   C        -6.4117    3.7138   14.2145  C     
13   C        -4.2348    2.6978   13.8788  C     
14   C        -4.4900    1.8024   14.9354  C     
15   C        -5.7066    1.8621   15.6391  C     
16   C        -6.6649    2.8260   15.2775  C     
17   S        -6.0012    0.7383   16.9394  S     
18   O        -6.0295   -0.7069   16.2818  O     
19   O        -4.7970    0.7977   17.9740  O     
20   N        -7.4600    0.9243   17.7535  N     
21   F        -2.1823    7.7481    9.3621  F     
22   F        -1.9779    5.7947   13.7046  F     
23   F        -0.2523    9.4646   10.0905  F     
24   F         0.8219    9.3542   12.5755  F     
25   F        -0.0562    7.5060   14.3543  F     
26   H        -4.0887    6.3666   10.6674  H     
27   H        -2.8742    5.1964   10.1618  H     
28   H        -3.0149    4.1744   12.2888  H     
29   H        -7.1352    4.4007   13.9916  H     
30   H        -3.3423    2.6134   13.3931  H     
31   H        -3.7775    1.1109   15.1792  H     
32   H        -7.5476    2.8948   15.7817  H     
33   H        -7.7192    0.2788   18.4345  H     
34   H        -7.9951    1.7245   17.6196  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    2   25 1
     6    3    4 2
     7    3   24 1
     8    4    5 1
     9    4   23 1
    10    5    6 2
    11    5   21 1
    12    6    7 1
    13    7    8 1
    14    8    9 am
    15    9   10 2
    16    9   11 1
    17   11   12 1
    18   11   13 2
    19   12   16 2
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   17   18 2
    25   17   19 2
    26   17   20 am
    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	| 4.4222
  Crash		| -0.5265
  Polar		| 3.8785
  FragIndex	| 1
  FragRMSD	| 0.816