@<TRIPOS>MOLECULE
BindingDB_8061
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0638    8.1848   24.2066  C     
2    C        -0.6380    6.0775   24.9116  C     
3    C         0.2672    6.3508   25.9642  C     
4    N        -0.7938    7.0762   23.9973  N     
5    C        -1.3785    4.8264   24.6936  C     
6    S         0.8538    7.9436   25.6360  S     
7    C         0.7551    5.5675   27.0419  C     
8    C         0.2121    4.3274   27.4556  C     
9    C         0.8709    3.6090   28.4675  C     
10   C         2.5005    5.3284   28.6586  C     
11   N         1.8752    6.0390   27.6872  N     
12   N         1.9880    4.1295   29.0395  N     
13   N         3.6396    5.7525   29.2513  N     
14   C         4.3768    6.8767   29.0140  C     
15   C         5.2685    8.6874   27.6132  C     
16   C         4.5287    7.5003   27.7482  C     
17   C         5.0721    7.4361   30.1136  C     
18   C         5.8267    8.6351   30.0041  C     
19   C         5.9016    9.2577   28.7313  C     
20   N         6.4562    9.1836   31.0897  N     
21   O         7.1334   10.3032   31.0172  O     
22   O         6.4259    8.6800   32.1891  O     
23   N        -0.0557    9.2655   23.4117  N     
24   H        -0.6854    3.9842   24.6934  H     
25   H        -1.9036    4.8320   23.7325  H     
26   H        -2.1257    4.6909   25.4791  H     
27   H        -0.6355    3.9229   27.0560  H     
28   H         0.5108    2.6985   28.7872  H     
29   H         4.0060    5.1561   29.9215  H     
30   H         5.3662    9.1245   26.6958  H     
31   H         4.1161    7.0744   26.9126  H     
32   H         4.9952    6.9660   31.0243  H     
33   H         6.4423   10.1147   28.6104  H     
34   H         0.5161   10.0236   23.6156  H     
35   H        -0.6077    9.2745   22.6081  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   23 1
     4    2    3 2
     5    2    4 1
     6    2    5 1
     7    3    6 1
     8    3    7 1
     9    7    8 1
    10    7   11 2
    11    8    9 2
    12    9   12 1
    13   10   11 1
    14   10   12 2
    15   10   13 1
    16   13   14 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   18   19 2
    23   18   20 am
    24   20   21 1
    25   20   22 2
    26    5   24 1
    27    5   25 1
    28    5   26 1
    29    8   27 1
    30    9   28 1
    31   13   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   19   33 1
    36   23   34 1
    37   23   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0101
  Crash		| -1.3136
  Polar		| 1.6747
  FragIndex	| 1
  FragRMSD	| 0.215