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


@<TRIPOS>ATOM
1    C        -1.7175    7.6389   15.1072  C     
2    C        -1.0918    8.5241   16.0083  C     
3    C        -1.2505    9.9147   15.8480  C     
4    C        -2.0469   10.4167   14.8019  C     
5    C        -2.6910    9.5234   13.9196  C     
6    C        -2.5295    8.1222   14.0528  C     
7    C        -3.1357    7.1850   13.0667  C     
8    N        -3.6259    6.0048   13.7208  N     
9    C        -4.8193    5.4270   13.6319  C     
10   O        -5.6895    5.9511   12.9285  O     
11   C        -5.1212    4.3044   14.4067  C     
12   C        -6.4691    3.9512   14.7006  C     
13   C        -4.1054    3.4736   14.9660  C     
14   C        -4.4202    2.3479   15.7420  C     
15   C        -5.7689    2.0162   16.0074  C     
16   C        -6.7841    2.8544   15.5136  C     
17   S        -6.1437    0.5565   16.8633  S     
18   O        -5.3768    0.5997   18.2580  O     
19   O        -7.7009    0.3514   17.1156  O     
20   N        -5.4830   -0.7582   16.0452  N     
21   H        -1.5722    6.6290   15.2181  H     
22   H        -0.5328    8.1681   16.7764  H     
23   H        -0.7940   10.5559   16.4903  H     
24   H        -2.1588   11.4239   14.6800  H     
25   H        -3.2695    9.9060   13.1650  H     
26   H        -3.9159    7.6761   12.4716  H     
27   H        -2.3486    6.8696   12.3821  H     
28   H        -2.9930    5.5374   14.2955  H     
29   H        -7.2358    4.5234   14.3341  H     
30   H        -3.1101    3.6655   14.7833  H     
31   H        -3.6726    1.7433   16.0845  H     
32   H        -7.7614    2.6710   15.7214  H     
33   H        -5.0309   -1.4578   16.5450  H     
34   H        -5.3026   -0.6785   15.0936  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	| 5.5200
  Crash		| -1.3579
  Polar		| 2.8871
  FragIndex	| 1
  FragRMSD	| 0.221