@<TRIPOS>MOLECULE
BindingDB_14256
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.7446   14.9842    1.1070  C     
2    C        45.4976   14.6014    2.2313  C     
3    C        45.9343   13.2612    2.1957  C     
4    C        45.5906   12.5562    1.0364  C     
5    S        44.6854   13.6296    0.0495  S     
6    O        45.7613   15.4359    3.2860  O     
7    C        46.9527   16.2341    3.1226  C     
8    C        47.4040   16.7755    4.4128  C     
9    O        48.5298   17.5315    4.4711  O     
10   O        46.9144   16.3223    5.5867  O     
11   C        44.1431   16.2247    0.8504  C     
12   O        44.0698   17.1908    1.7899  O     
13   O        43.5217   16.4637   -0.3282  O     
14   Br       46.8707   12.4762    3.5993  Br    
15   C        45.9526   11.2442    0.6925  C     
16   C        47.6439    9.6647   -0.0778  C     
17   C        47.2785   10.9655    0.3039  C     
18   C        45.0089   10.1931    0.7369  C     
19   C        45.3822    8.8896    0.3630  C     
20   C        46.6993    8.6090   -0.0610  C     
21   N        47.0284    7.3299   -0.3629  N     
22   C        47.4823    6.8609   -1.5171  C     
23   C        47.8703    5.4791   -1.6304  C     
24   O        47.5268    7.5722   -2.5150  O     
25   H        47.7702   15.6364    2.6989  H     
26   H        46.7584   17.0693    2.4427  H     
27   H        48.6085    9.4764   -0.3515  H     
28   H        47.9903   11.6994    0.3037  H     
29   H        44.0440   10.3813    1.0438  H     
30   H        44.6763    8.1441    0.3774  H     
31   H        46.9159    6.6651    0.3560  H     
32   H        48.8140    5.3155   -1.1003  H     
33   H        48.0090    5.1747   -2.6792  H     
34   H        47.1067    4.8296   -1.1901  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   11 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   14 1
     8    4    5 1
     9    4   15 1
    10    6    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 1
    16   15   17 2
    17   15   18 1
    18   16   17 1
    19   16   20 2
    20   18   19 2
    21   19   20 1
    22   20   21 1
    23   21   22 am
    24   22   23 1
    25   22   24 2
    26    7   25 1
    27    7   26 1
    28   16   27 1
    29   17   28 1
    30   18   29 1
    31   19   30 1
    32   21   31 1
    33   23   32 1
    34   23   33 1
    35   23   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8015
  Crash		| -1.0892
  Polar		| 6.5151
  FragIndex	| 1
  FragRMSD	| 0.790