@<TRIPOS>MOLECULE
BindingDB_7132
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5878   45.9844   22.3405  C     
2    C        12.8307   45.8850   23.4882  C     
3    C        11.6519   46.5930   23.2483  C     
4    N        12.8693   46.7168   21.4692  N     
5    N        11.7396   47.0797   21.9970  N     
6    N        10.5925   46.8530   24.0523  N     
7    C        10.3445   46.4183   25.2834  C     
8    O        11.0990   45.5994   25.7908  O     
9    C        14.9387   45.4539   22.1073  C     
10   C        15.3827   44.1316   22.7588  C     
11   C        15.0044   44.1581   21.2739  C     
12   C         9.2388   46.8609   26.0307  C     
13   C         8.4299   47.9553   25.6110  C     
14   C         8.8878   46.2397   27.2667  C     
15   C         7.7944   46.6783   28.0278  C     
16   C         6.9749   47.7552   27.5878  C     
17   C         7.3275   48.3919   26.3653  C     
18   C         5.8794   48.1707   28.3394  C     
19   O         5.7728   47.9029   29.5303  O     
20   N         4.8560   48.7959   27.8039  N     
21   H        13.1285   45.4284   24.3510  H     
22   H        13.1647   46.9610   20.5786  H     
23   H         9.9097   47.4197   23.6580  H     
24   H        15.7335   46.1620   21.8786  H     
25   H        16.4487   44.0184   22.9664  H     
26   H        14.6667   43.6352   23.4120  H     
27   H        14.0668   43.6495   21.0568  H     
28   H        15.8488   44.0348   20.5815  H     
29   H         8.6546   48.4724   24.7542  H     
30   H         9.4357   45.4465   27.6266  H     
31   H         7.5821   46.1865   28.9014  H     
32   H         6.7954   49.2076   26.0308  H     
33   H         4.1021   49.0447   28.3568  H     
34   H         4.8376   49.0069   26.8550  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20   16   18 1
    21   18   19 2
    22   18   20 am
    23    2   21 1
    24    4   22 1
    25    6   23 1
    26    9   24 1
    27   10   25 1
    28   10   26 1
    29   11   27 1
    30   11   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   17   32 1
    35   20   33 1
    36   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0637
  Crash		| -0.5137
  Polar		| 4.3865
  FragIndex	| 1
  FragRMSD	| 0.601