@<TRIPOS>MOLECULE
BindingDB_50345208
 36 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -6.0662    3.1694   15.1940  C     
2    C        -5.4472    4.0875   14.3320  C     
3    C        -4.0450    4.0748   14.1809  C     
4    C        -3.2656    3.1680   14.9211  C     
5    C        -3.8871    2.2390   15.7723  C     
6    C        -5.2922    2.2336   15.9112  C     
7    S        -6.0414    1.0742   16.9603  S     
8    N        -7.5831    1.5101   17.4510  N     
9    O        -6.1981   -0.2679   16.1275  O     
10   O        -5.1316    0.8098   18.2361  O     
11   N        -3.4211    5.0328   13.4618  N     
12   C        -3.1328    4.9858   12.1710  C     
13   O        -3.4792    4.0420   11.4694  O     
14   C        -2.3517    6.0692   11.5751  C     
15   C        -3.2390    7.3180   11.2722  C     
16   C        -1.0555    6.4260   12.3768  C     
17   C         0.0064    5.3014   12.3938  C     
18   C        -4.1364    7.8521   12.4157  C     
19   H        -7.0779    3.2053   15.3119  H     
20   H        -6.0139    4.7814   13.8388  H     
21   H        -2.2396    3.1929   14.8565  H     
22   H        -3.2996    1.5898   16.3053  H     
23   H        -8.1785    0.8274   17.7976  H     
24   H        -7.8510    2.4399   17.4495  H     
25   H        -3.1058    5.8029   13.9625  H     
26   H        -2.0010    5.7254   10.5971  H     
27   H        -2.5936    8.1369   10.9522  H     
28   H        -3.8968    7.0788   10.4302  H     
29   H        -0.5824    7.2990   11.9230  H     
30   H        -1.3010    6.6893   13.4079  H     
31   H        -0.3969    4.4008   12.8621  H     
32   H         0.8854    5.6196   12.9593  H     
33   H         0.3242    5.0596   11.3764  H     
34   H        -4.8863    7.1154   12.7056  H     
35   H        -4.6538    8.7561   12.0784  H     
36   H        -3.5360    8.1112   13.2885  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   14   16 1
    17   15   18 1
    18   16   17 1
    19    1   19 1
    20    2   20 1
    21    4   21 1
    22    5   22 1
    23    8   23 1
    24    8   24 1
    25   11   25 1
    26   14   26 1
    27   15   27 1
    28   15   28 1
    29   16   29 1
    30   16   30 1
    31   17   31 1
    32   17   32 1
    33   17   33 1
    34   18   34 1
    35   18   35 1
    36   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0337
  Crash		| -1.5329
  Polar		| 2.5218
  FragIndex	| 1
  FragRMSD	| 1.045