@<TRIPOS>MOLECULE
BindingDB_13023
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.1833   46.1301   16.6775  C     
2    C        27.7952   45.4677   15.4993  C     
3    C        27.7410   44.0605   15.4606  C     
4    C        27.9982   43.3269   16.6403  C     
5    C        28.4899   45.3971   17.8448  C     
6    C        28.3990   43.9789   17.8341  C     
7    C        28.9439   46.1274   19.0522  C     
8    C        28.6962   43.1739   19.0533  C     
9    C        28.7604   45.3048   20.3601  C     
10   N        29.3336   43.9471   20.1493  N     
11   S        27.2764   43.2581   13.9827  S     
12   O        27.7417   41.7398   14.0062  O     
13   O        25.6926   43.3627   13.8704  O     
14   N        27.9737   43.9014   12.5952  N     
15   C        29.4188   46.0419   21.5512  C     
16   O        28.8286   45.6651   22.7957  O     
17   H        28.2531   47.1590   16.6746  H     
18   H        27.5936   46.0246   14.6659  H     
19   H        27.9330   42.3050   16.6146  H     
20   H        30.0039   46.3621   18.9073  H     
21   H        28.3800   47.0606   19.1491  H     
22   H        27.7589   42.7425   19.4123  H     
23   H        29.3732   42.3557   18.7906  H     
24   H        27.6866   45.2039   20.5633  H     
25   H        29.2590   43.3873   20.9998  H     
26   H        30.3259   44.0543   19.9206  H     
27   H        27.7495   43.4817   11.7320  H     
28   H        28.7329   44.5242   12.6555  H     
29   H        30.4901   45.8215   21.5624  H     
30   H        29.2700   47.1210   21.4535  H     
31   H        29.0407   44.7153   22.9194  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    3   11 1
     6    4    6 2
     7    5    6 1
     8    5    7 1
     9    6    8 1
    10    7    9 1
    11    8   10 1
    12    9   10 1
    13    9   15 1
    14   11   12 2
    15   11   13 2
    16   11   14 am
    17   15   16 1
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    7   20 1
    22    7   21 1
    23    8   22 1
    24    8   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   14   27 1
    29   14   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6201
  Crash		| -1.5722
  Polar		| 4.7692
  FragIndex	| 1
  FragRMSD	| 1.065