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


@<TRIPOS>ATOM
1    C        -5.8935    9.2892   13.2134  C     
2    C        -6.2872    8.8836   14.5066  C     
3    C        -7.3868    8.0179   14.6717  C     
4    C        -8.0876    7.5542   13.5435  C     
5    C        -7.7020    7.9727   12.2558  C     
6    C        -6.6033    8.8399   12.0707  C     
7    C        -6.1947    9.2358   10.7014  C     
8    N        -7.2511    9.9574   10.0472  N     
9    C        -8.1441    9.4722    9.1888  C     
10   O        -8.1658    8.2606    8.9824  O     
11   C        -9.0833   10.2889    8.5428  C     
12   C        -8.8127   11.6592    8.2810  C     
13   C       -10.3362    9.7804    8.1077  C     
14   C       -11.2717   10.6005    7.4462  C     
15   C       -10.9741   11.9500    7.1722  C     
16   C        -9.7417   12.4755    7.6051  C     
17   S       -12.0961   12.9477    6.2957  S     
18   O       -11.3017   13.4092    4.9932  O     
19   O       -13.4153   12.1866    5.8274  O     
20   N       -12.5114   14.3711    7.0921  N     
21   H        -5.0903    9.9184   13.1230  H     
22   H        -5.7771    9.2180   15.3348  H     
23   H        -7.6659    7.7206   15.6099  H     
24   H        -8.8826    6.9262   13.6519  H     
25   H        -8.2182    7.6323   11.4378  H     
26   H        -5.3126    9.8908   10.7357  H     
27   H        -5.9019    8.3365   10.1599  H     
28   H        -7.3210   10.9049   10.2647  H     
29   H        -7.9168   12.0698    8.5532  H     
30   H       -10.5961    8.8130    8.2851  H     
31   H       -12.1716   10.2000    7.1536  H     
32   H        -9.5027   13.4544    7.4271  H     
33   H       -12.7126   15.1745    6.5741  H     
34   H       -12.6297   14.3689    8.0539  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	| 3.7672
  Crash		| -0.5503
  Polar		| 1.4161
  FragIndex	| 1
  FragRMSD	| 0.152