@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6613    7.7646   15.2750  C     
2    C        -1.0132    8.6171   16.1894  C     
3    C        -0.9730   10.0010   15.9537  C     
4    C        -1.6003   10.5357   14.8152  C     
5    C        -2.2686    9.6818   13.9146  C     
6    C        -2.3074    8.2836   14.1315  C     
7    C        -2.9421    7.3761   13.1405  C     
8    N        -3.5305    6.1946   13.7013  N     
9    C        -4.5464    6.1363   14.5528  C     
10   O        -5.1380    7.1764   14.8464  O     
11   C        -4.9461    4.9257   15.1314  C     
12   C        -4.0724    3.8044   15.1964  C     
13   C        -6.2339    4.7742   15.7017  C     
14   C        -6.6452    3.5672   16.2924  C     
15   C        -5.7656    2.4685   16.3434  C     
16   C        -4.4742    2.6003   15.7984  C     
17   S        -6.2368    0.9705   17.1004  S     
18   O        -5.9876   -0.2022   16.0582  O     
19   O        -5.3551    0.6834   18.3895  O     
20   N        -7.8674    0.8418   17.4731  N     
21   H        -1.6514    6.7580   15.4522  H     
22   H        -0.5595    8.2264   17.0202  H     
23   H        -0.4756   10.6146   16.6048  H     
24   H        -1.5619   11.5437   14.6339  H     
25   H        -2.7024   10.0872   13.0848  H     
26   H        -3.6986    7.8968   12.5414  H     
27   H        -2.1600    7.0522   12.4503  H     
28   H        -3.1338    5.3480   13.4433  H     
29   H        -3.1168    3.8627   14.8250  H     
30   H        -6.8992    5.5512   15.6826  H     
31   H        -7.5829    3.5086   16.6879  H     
32   H        -3.8120    1.8188   15.8449  H     
33   H        -8.2929   -0.0326   17.3938  H     
34   H        -8.4177    1.6365   17.4804  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    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	| 6.1583
  Crash		| -1.2820
  Polar		| 2.8884
  FragIndex	| 1
  FragRMSD	| 0.857