@<TRIPOS>MOLECULE
BindingDB_16654
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7316    4.2054   16.1849  C     
2    C        17.1302    4.1439   16.0210  C     
3    C        17.8152    5.1837   15.3694  C     
4    C        17.1044    6.2984   14.8656  C     
5    C        15.7059    6.3507   15.0077  C     
6    C        15.0194    5.3009   15.6453  C     
7    S        14.9324    2.9639   17.0927  S     
8    O        15.2454    1.5841   16.3654  O     
9    O        15.5007    2.8431   18.5778  O     
10   N        13.2582    3.0230   17.0825  N     
11   N        17.7431    7.3539   14.3076  N     
12   O        18.6584    6.3265   12.5655  O     
13   C        18.5026    7.3442   13.2213  C     
14   N        19.0771    8.4323   12.7396  N     
15   C        19.2081    9.6491   13.3494  C     
16   C        19.6569    9.7697   14.6872  C     
17   C        18.9814   10.8268   12.6022  C     
18   C        19.1464   12.0936   13.1887  C     
19   C        19.5941   12.2019   14.5164  C     
20   C        19.8418   11.0397   15.2712  C     
21   H        17.6667    3.3624   16.4066  H     
22   H        18.8355    5.1466   15.2963  H     
23   H        15.1762    7.1463   14.6493  H     
24   H        13.9974    5.3593   15.7434  H     
25   H        12.7810    2.2794   16.6964  H     
26   H        12.8224    3.8812   17.1679  H     
27   H        17.5312    8.2240   14.6808  H     
28   H        19.4453    8.3683   11.8430  H     
29   H        19.8874    8.9379   15.2364  H     
30   H        18.6760   10.7600   11.6282  H     
31   H        18.9502   12.9316   12.6486  H     
32   H        19.7201   13.1244   14.9410  H     
33   H        20.1696   11.1156   16.2372  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   13 am
    13   12   13 2
    14   13   14 am
    15   14   15 1
    16   15   16 1
    17   15   17 2
    18   16   20 2
    19   17   18 1
    20   18   19 2
    21   19   20 1
    22    2   21 1
    23    3   22 1
    24    5   23 1
    25    6   24 1
    26   10   25 1
    27   10   26 1
    28   11   27 1
    29   14   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   19   32 1
    34   20   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7409
  Crash		| -1.3207
  Polar		| 2.0847
  FragIndex	| 1
  FragRMSD	| 1.167