@<TRIPOS>MOLECULE
BindingDB_14786
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.2366    2.1965   63.1028  C     
2    C        43.6003    1.3335   64.1330  C     
3    C        42.3952    0.7355   64.5348  C     
4    N        41.4388    1.2414   63.7366  N     
5    N        41.9065    2.1045   62.8821  N     
6    C        44.9323    1.1482   64.5691  C     
7    O        45.2075    0.2296   65.5353  O     
8    O        45.9479    1.8494   63.9940  O     
9    C        47.3366    1.8132   64.3560  C     
10   C        48.1860    2.6619   63.3882  C     
11   C        41.1266    2.7563   61.9411  C     
12   C        41.6715    3.6022   60.9363  C     
13   C        40.8480    4.2262   59.9775  C     
14   C        39.4577    4.0338   60.0043  C     
15   C        38.8914    3.2060   60.9829  C     
16   C        39.7176    2.5749   61.9323  C     
17   C        42.0767   -0.2240   65.5383  C     
18   C        40.6963   -2.1201   66.2893  C     
19   C        41.0081   -1.1337   65.3308  C     
20   C        42.7755   -0.2814   66.7669  C     
21   C        42.4750   -1.2812   67.7199  C     
22   C        41.4565   -2.2181   67.4688  C     
23   Cl       41.1474   -3.4627   68.5742  Cl    
24   H        43.8871    2.7982   62.5944  H     
25   H        47.4421    2.2072   65.3713  H     
26   H        47.7041    0.7825   64.3400  H     
27   H        48.1038    2.2767   62.3699  H     
28   H        49.2354    2.6291   63.6913  H     
29   H        47.8462    3.6985   63.4019  H     
30   H        42.6780    3.7605   60.8722  H     
31   H        41.2607    4.8138   59.2505  H     
32   H        38.8606    4.4928   59.3116  H     
33   H        37.8812    3.0553   61.0069  H     
34   H        39.2685    1.9748   62.6250  H     
35   H        39.9333   -2.7720   66.1056  H     
36   H        40.4682   -1.1205   64.4648  H     
37   H        43.5304    0.3933   66.9625  H     
38   H        43.0104   -1.3258   68.5900  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    6 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5   11 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   15   16 2
    19   17   19 1
    20   17   20 2
    21   18   19 2
    22   18   22 1
    23   20   21 1
    24   21   22 2
    25   22   23 1
    26    1   24 1
    27    9   25 1
    28    9   26 1
    29   10   27 1
    30   10   28 1
    31   10   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   15   33 1
    36   16   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   21   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8106
  Crash		| -1.5862
  Polar		| 0.4823
  FragIndex	| 1
  FragRMSD	| 0.542