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


@<TRIPOS>ATOM
1    C        -2.7075    7.5871   13.2344  C     
2    C        -2.7654    8.9108   13.7265  C     
3    C        -2.1192    9.2361   14.9327  C     
4    C        -1.4506    8.2399   15.6671  C     
5    C        -1.4043    6.9210   15.1780  C     
6    C        -2.0115    6.5788   13.9478  C     
7    C        -1.9013    5.1911   13.4245  C     
8    N        -2.9239    4.3926   14.0080  N     
9    C        -3.2647    3.1483   13.6677  C     
10   O        -2.6110    2.5819   12.7922  O     
11   C        -4.2700    2.4649   14.3594  C     
12   C        -5.2304    3.1683   15.1434  C     
13   C        -4.3588    1.0487   14.3259  C     
14   C        -5.2964    0.3546   15.1013  C     
15   C        -6.1931    1.0760   15.9237  C     
16   C        -6.1847    2.4919   15.9073  C     
17   S        -7.2703    0.2387   16.9894  S     
18   O        -8.7196    0.8964   17.0791  O     
19   O        -7.3860   -1.2494   16.4388  O     
20   N        -6.6317    0.1137   18.5439  N     
21   F        -0.7865    6.0124   15.9013  F     
22   F        -3.3522    7.3066   12.1233  F     
23   F        -0.8784    8.5383   16.7996  F     
24   F        -2.1723   10.4615   15.3787  F     
25   F        -3.4144    9.8292   13.0688  F     
26   H        -2.0045    5.1580   12.3405  H     
27   H        -0.9219    4.7925   13.6766  H     
28   H        -3.4143    4.7838   14.7561  H     
29   H        -5.2494    4.1935   15.1675  H     
30   H        -3.7047    0.4977   13.7701  H     
31   H        -5.2974   -0.6596   15.0993  H     
32   H        -6.8356    3.0358   16.4857  H     
33   H        -6.9676   -0.5907   19.1326  H     
34   H        -6.1932    0.8889   18.9515  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	| 2.9651
  Crash		| -1.6545
  Polar		| 1.7333
  FragIndex	| 1
  FragRMSD	| 1.008