@<TRIPOS>MOLECULE
BindingDB_14793
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6454    5.4531   11.9278  C     
2    C        14.5749    5.8501   11.1294  C     
3    N        15.1774    5.2694   13.1690  N     
4    N        13.9104    5.5479   13.2426  N     
5    C        17.0693    5.2935   11.5873  C     
6    C        14.6028    6.0885    9.7323  C     
7    O        15.7806    6.1484    9.0721  O     
8    O        13.4524    6.1600    9.0100  O     
9    C        13.3569    6.2929    7.5854  C     
10   C        11.9348    6.7277    7.1850  C     
11   C        13.2294    5.4368   14.4434  C     
12   C        13.9474    5.3147   15.6581  C     
13   C        13.2932    5.2166   16.8978  C     
14   C        11.8891    5.2332   16.9622  C     
15   C        11.1514    5.3258   15.7643  C     
16   C        11.8152    5.4084   14.5226  C     
17   C        13.4904    5.9527   12.0129  C     
18   C        12.1853    6.5561   11.6667  C     
19   S        11.0932    5.2088   18.5138  S     
20   O        12.0462    4.5789   19.6215  O     
21   O        10.8145    6.6913   19.0157  O     
22   N         9.6441    4.3623   18.5802  N     
23   H        17.1799    4.6195   10.7433  H     
24   H        17.6222    4.8911   12.4356  H     
25   H        17.4937    6.2600   11.3172  H     
26   H        14.0740    7.0403    7.2368  H     
27   H        13.5921    5.3350    7.1142  H     
28   H        11.1985    6.0137    7.5599  H     
29   H        11.8497    6.7745    6.0966  H     
30   H        11.7200    7.7144    7.5993  H     
31   H        14.9688    5.3310   15.6600  H     
32   H        13.8560    5.1584   17.7496  H     
33   H        10.1291    5.3378   15.7874  H     
34   H        11.2500    5.4468   13.6696  H     
35   H        12.3244    7.4264   11.0274  H     
36   H        11.6580    6.8908   12.5603  H     
37   H        11.5753    5.8309   11.1356  H     
38   H         9.5965    3.5341   19.0825  H     
39   H         8.8458    4.7316   18.1622  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 2
    22   19   21 2
    23   19   22 am
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2711
  Crash		| -1.0742
  Polar		| 2.4229
  FragIndex	| 1
  FragRMSD	| 0.751