@<TRIPOS>MOLECULE
BindingDB_50148292
 50 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.8473   66.1308   76.5096  C     
2    C        10.7989   67.5420   77.2505  C     
3    O        11.5331   66.3942   76.7510  O     
4    N        13.2745   64.9499   76.0069  N     
5    O        13.8257   67.0216   76.7930  O     
6    O        14.5416   62.6022   75.5684  O     
7    C         9.3613   67.1134   77.7577  C     
8    C        13.3996   62.6513   76.0161  C     
9    C         8.9742   65.6826   77.5763  C     
10   C        12.5071   63.7655   75.7452  C     
11   C        11.5603   68.4278   78.2868  C     
12   C        10.7241   68.5543   76.0755  C     
13   C         9.0294   65.0636   76.3062  C     
14   C         8.4858   64.9260   78.6724  C     
15   C        11.8883   63.7789   74.3048  C     
16   C        10.7817   61.3721   74.0814  C     
17   C        11.7981   62.4205   73.5295  C     
18   C        10.4898   69.9432   76.7128  C     
19   C        10.8928   69.8135   78.1984  C     
20   C        11.4022   59.9633   74.2687  C     
21   C         8.1177   63.5759   78.5145  C     
22   C         8.6639   63.7133   76.1456  C     
23   C         8.2081   62.9695   77.2522  C     
24   H        14.2337   64.8811   75.8459  H     
25   H         9.2801   67.3626   78.8195  H     
26   H         8.5832   67.7136   77.2760  H     
27   H        13.0471   61.8417   76.4782  H     
28   H        11.6710   63.6843   76.4503  H     
29   H        11.5216   68.0264   79.3021  H     
30   H        12.6118   68.5425   78.0043  H     
31   H        11.6753   68.5797   75.5364  H     
32   H         9.9402   68.3036   75.3601  H     
33   H         9.3532   65.5900   75.4911  H     
34   H         8.3966   65.3511   79.5974  H     
35   H        10.8750   64.1944   74.3654  H     
36   H        12.4683   64.4720   73.6782  H     
37   H        10.3713   61.6877   75.0431  H     
38   H         9.9364   61.3002   73.3969  H     
39   H        11.5272   62.6513   72.4963  H     
40   H        12.8122   62.0033   73.4996  H     
41   H        11.1034   70.7000   76.2179  H     
42   H         9.4381   70.2375   76.6305  H     
43   H        10.0078   69.8370   78.8403  H     
44   H        11.5789   70.6066   78.5159  H     
45   H        11.8599   59.6302   73.3312  H     
46   H        10.6282   59.2494   74.5612  H     
47   H        12.1687   59.9992   75.0535  H     
48   H         7.7913   63.0398   79.3218  H     
49   H         8.7326   63.2692   75.2285  H     
50   H         7.9423   61.9901   77.1354  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 am
     3    1    5 2
     4    2    3 1
     5    2    7 1
     6    2   11 1
     7    2   12 1
     8    4   10 1
     9    6    8 2
    10    7    9 1
    11    8   10 1
    12    9   13 1
    13    9   14 2
    14   10   15 1
    15   11   19 1
    16   12   18 1
    17   13   22 2
    18   14   21 1
    19   15   17 1
    20   16   17 1
    21   16   20 1
    22   18   19 1
    23   21   23 2
    24   22   23 1
    25    4   24 1
    26    7   25 1
    27    7   26 1
    28    8   27 1
    29   10   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   13   33 1
    35   14   34 1
    36   15   35 1
    37   15   36 1
    38   16   37 1
    39   16   38 1
    40   17   39 1
    41   17   40 1
    42   18   41 1
    43   18   42 1
    44   19   43 1
    45   19   44 1
    46   20   45 1
    47   20   46 1
    48   20   47 1
    49   21   48 1
    50   22   49 1
    51   23   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7114
  Crash		| -1.4504
  Polar		| 0.0708
  FragIndex	| 1
  FragRMSD	| 1.237