@<TRIPOS>MOLECULE
BindingDB_50295810
 49 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       113.1344   18.2006   61.3747  C     
2    C       115.4082   17.4700   62.8745  C     
3    N       113.5357   20.4160   61.4112  N     
4    C       114.0943   21.7345   61.6426  C     
5    C       114.5196   21.9088   63.0303  C     
6    C       114.0569   19.2019   61.7742  C     
7    C       115.2300   18.8266   62.5134  C     
8    N       116.3146   19.5163   62.9987  N     
9    C       116.6987   20.8714   62.6918  C     
10   C       115.8218   21.8085   63.3620  C     
11   C       114.5594   16.4772   62.3384  C     
12   C       113.4158   16.8298   61.6124  C     
13   C       112.8201   15.6373   61.2758  C     
14   N       113.5556   14.6452   61.7279  N     
15   C       114.5968   15.1092   62.3671  C     
16   O       111.8348   15.4293   60.5964  O     
17   O       115.4867   14.3754   62.7818  O     
18   C       112.0500   18.8399   60.7682  C     
19   C       112.3225   20.2102   60.7961  C     
20   C       111.3754   21.1281   60.2769  C     
21   C       110.1471   20.6687   59.7664  C     
22   C       109.8726   19.2903   59.7648  C     
23   C       110.8166   18.3740   60.2504  C     
24   C       117.0685   18.6756   63.7704  C     
25   C       116.5156   17.3927   63.7212  C     
26   C       117.0441   16.3635   64.5381  C     
27   C       118.1628   16.6141   65.3510  C     
28   C       118.7457   17.8984   65.3738  C     
29   C       118.1949   18.9310   64.5868  C     
30   C       113.5507   21.9603   64.0053  C     
31   O       113.6637   21.2804   65.0295  O     
32   C       112.3918   22.8083   63.9111  C     
33   H       114.8971   21.9008   60.9230  H     
34   H       113.3802   22.5548   61.4560  H     
35   H       117.7173   21.0939   63.0057  H     
36   H       116.7239   20.9964   61.6083  H     
37   H       116.1104   22.0985   64.2726  H     
38   H       113.3695   13.6964   61.5813  H     
39   H       111.5450   22.1319   60.2806  H     
40   H       109.4298   21.3280   59.4446  H     
41   H       108.9771   18.9523   59.4011  H     
42   H       110.5642   17.3915   60.2515  H     
43   H       116.6135   15.4450   64.5868  H     
44   H       118.5431   15.8713   65.9463  H     
45   H       119.5587   18.0813   65.9669  H     
46   H       118.6136   19.8571   64.6404  H     
47   H       112.7312   23.8509   63.9412  H     
48   H       111.6631   22.6341   64.7078  H     
49   H       111.8928   22.6151   62.9434  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   12 2
     3    1   18 1
     4    2    7 1
     5    2   11 2
     6    2   25 1
     7    3    4 1
     8    3    6 1
     9    3   19 1
    10    4    5 1
    11    5   10 2
    12    5   30 1
    13    6    7 2
    14    7    8 1
    15    8    9 1
    16    8   24 1
    17    9   10 1
    18   11   12 1
    19   11   15 1
    20   12   13 1
    21   13   14 1
    22   13   16 2
    23   14   15 1
    24   15   17 2
    25   18   19 2
    26   18   23 1
    27   19   20 1
    28   20   21 2
    29   21   22 1
    30   22   23 2
    31   24   25 2
    32   24   29 1
    33   25   26 1
    34   26   27 2
    35   27   28 1
    36   28   29 2
    37   30   31 2
    38   30   32 1
    39    4   33 1
    40    4   34 1
    41    9   35 1
    42    9   36 1
    43   10   37 1
    44   14   38 1
    45   20   39 1
    46   21   40 1
    47   22   41 1
    48   23   42 1
    49   26   43 1
    50   27   44 1
    51   28   45 1
    52   29   46 1
    53   32   47 1
    54   32   48 1
    55   32   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6179
  Crash		| -1.1994
  Polar		| 2.1202
  FragIndex	| 1
  FragRMSD	| 1.468