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


@<TRIPOS>ATOM
1    C        -1.7887    8.1041   15.7263  C     
2    C        -1.4962    9.1633   16.6048  C     
3    C        -0.4352   10.0432   16.3268  C     
4    C         0.3242    9.8648   15.1545  C     
5    C         0.0266    8.8012   14.2758  C     
6    C        -1.0296    7.8967   14.5468  C     
7    C        -1.3298    6.8100   13.5801  C     
8    N        -2.1164    5.7493   14.1359  N     
9    C        -3.4097    5.4949   13.9434  C     
10   O        -4.0576    6.2457   13.2182  O     
11   C        -4.0738    4.4676   14.6334  C     
12   C        -3.3607    3.4633   15.3416  C     
13   C        -5.4926    4.3907   14.6684  C     
14   C        -6.1585    3.3936   15.4005  C     
15   C        -5.4272    2.4207   16.1079  C     
16   C        -4.0233    2.4539   16.0610  C     
17   S        -6.2216    1.1853   17.0515  S     
18   O        -6.1123   -0.1071   16.1392  O     
19   O        -5.4341    0.8643   18.3941  O     
20   N        -7.8716    1.3746   17.2889  N     
21   H        -2.5799    7.5059   15.9529  H     
22   H        -2.0612    9.2986   17.4487  H     
23   H        -0.2193   10.8102   16.9727  H     
24   H         1.0902   10.5072   14.9475  H     
25   H         0.5908    8.6994   13.4269  H     
26   H        -1.8007    7.2566   12.7010  H     
27   H        -0.3999    6.3552   13.2587  H     
28   H        -1.6575    5.1826   14.7638  H     
29   H        -2.3375    3.4367   15.3344  H     
30   H        -6.0598    5.0709   14.1633  H     
31   H        -7.1822    3.3850   15.4169  H     
32   H        -3.4694    1.7471   16.5554  H     
33   H        -8.4413    0.5832   17.3167  H     
34   H        -8.2668    2.2560   17.3139  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	| 5.5973
  Crash		| -0.9220
  Polar		| 2.3157
  FragIndex	| 1
  FragRMSD	| 0.884