@<TRIPOS>MOLECULE
BindingDB_15669
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.5253   32.6578   60.2307  C     
2    C         7.4855   34.3710   59.1873  C     
3    C         8.4761   35.0413   59.9855  C     
4    N         7.5086   33.0501   59.3086  N     
5    C         6.5329   32.1514   58.7233  C     
6    C         4.3963   30.7744   59.1844  C     
7    C         5.0330   29.5466   58.4740  C     
8    C         6.0659   29.9956   57.4041  C     
9    C         7.1511   30.8894   58.0486  C     
10   C         5.4632   31.7278   59.7759  C     
11   O         6.6767   35.0089   58.5261  O     
12   C         9.4530   33.8901   60.2947  C     
13   C        10.3015   33.9665   61.4739  C     
14   O        10.3986   35.0168   62.0964  O     
15   N        11.0502   32.9111   61.7698  N     
16   C        12.1244   32.8307   62.6073  C     
17   C        14.4660   33.4112   63.0712  C     
18   C        13.2691   33.6283   62.3636  C     
19   C        12.1791   31.8091   63.5933  C     
20   C        13.3987   31.5826   64.2772  C     
21   C        14.5338   32.3717   64.0158  C     
22   Cl       15.8410   34.3388   62.7305  Cl    
23   C        10.9699   31.0117   63.9417  C     
24   H         8.0820   32.4374   61.2039  H     
25   H         9.0988   31.7978   59.8833  H     
26   H         8.9709   35.8446   59.4247  H     
27   H         8.0042   35.4402   60.8936  H     
28   H         6.0185   32.6904   57.9200  H     
29   H         3.7716   31.3179   58.4686  H     
30   H         3.7432   30.4220   59.9904  H     
31   H         5.5355   28.9096   59.2135  H     
32   H         4.2486   28.9548   58.0007  H     
33   H         6.5472   29.1104   56.9613  H     
34   H         5.5644   30.5541   56.6003  H     
35   H         7.8636   31.1899   57.2800  H     
36   H         7.6906   30.2892   58.7855  H     
37   H         5.9518   31.2339   60.6138  H     
38   H         4.9579   32.6144   60.1682  H     
39   H        10.1446   33.8398   59.4436  H     
40   H        10.8272   32.0869   61.3052  H     
41   H        13.2468   34.3370   61.6246  H     
42   H        13.4717   30.8379   64.9802  H     
43   H        15.4047   32.1930   64.5223  H     
44   H        10.1910   31.6702   64.3359  H     
45   H        11.1834   30.2559   64.6979  H     
46   H        10.5829   30.4974   63.0617  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   17   22 1
    23   19   20 1
    24   19   23 1
    25   20   21 2
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   18   41 1
    44   20   42 1
    45   21   43 1
    46   23   44 1
    47   23   45 1
    48   23   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4836
  Crash		| -1.9953
  Polar		| 0.0796
  FragIndex	| 1
  FragRMSD	| 1.242