@<TRIPOS>MOLECULE
BindingDB_50295809
 49 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       113.1490   21.7393   62.6350  C     
2    C       113.9940   21.8067   63.9448  C     
3    C       115.5205   21.9619   63.7102  C     
4    C       116.1153   20.9321   62.7360  C     
5    N       115.8492   19.5870   63.1569  N     
6    N       112.9519   20.4621   61.9650  N     
7    C       113.5773   19.2531   62.1168  C     
8    C       114.7943   18.8461   62.7393  C     
9    C       115.1180   17.4786   62.8913  C     
10   C       112.7803   18.2587   61.5217  C     
11   C       113.1247   16.8962   61.6199  C     
12   C       114.2781   16.4973   62.3080  C     
13   C       114.3508   15.1367   62.1718  C     
14   N       113.3281   14.6996   61.4770  N     
15   C       112.4405   15.7220   61.0717  C     
16   C       116.3524   17.4213   63.5435  C     
17   C       116.7728   18.7479   63.7075  C     
18   C       118.0019   19.0435   64.3402  C     
19   C       118.8245   17.9907   64.7842  C     
20   C       118.4099   16.6559   64.6080  C     
21   C       117.1694   16.3663   64.0007  C     
22   C       111.8594   20.2568   61.1554  C     
23   C       111.7170   18.8884   60.8977  C     
24   C       110.6389   18.4018   60.1257  C     
25   C       109.6915   19.3123   59.6192  C     
26   C       109.8327   20.6952   59.8613  C     
27   C       110.9204   21.1730   60.6198  C     
28   O       115.2279   14.3777   62.5422  O     
29   O       113.6519   20.6885   64.7637  O     
30   O       116.2668   21.9563   64.9284  O     
31   H       112.1551   22.1044   62.9383  H     
32   H       113.5330   22.4539   61.9162  H     
33   H       113.6841   22.6971   64.5105  H     
34   H       115.6677   22.9529   63.2736  H     
35   H       115.7159   21.0957   61.7279  H     
36   H       117.1868   21.1018   62.6394  H     
37   H       113.1973   13.7647   61.2520  H     
38   H       111.4556   15.5845   61.5216  H     
39   H       112.3734   15.7674   59.9842  H     
40   H       118.3035   20.0078   64.4763  H     
41   H       119.7240   18.1917   65.2194  H     
42   H       119.0141   15.8884   64.9261  H     
43   H       116.8967   15.3972   63.9045  H     
44   H       110.5261   17.4067   59.9339  H     
45   H       108.8968   18.9689   59.0741  H     
46   H       109.1401   21.3460   59.4935  H     
47   H       111.0140   22.1760   60.7774  H     
48   H       114.0125   20.8877   65.6556  H     
49   H       116.0319   21.1193   65.4276  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    2    3 1
     4    2   29 1
     5    3    4 1
     6    3   30 1
     7    4    5 1
     8    5    8 1
     9    5   17 1
    10    6    7 1
    11    6   22 1
    12    7    8 2
    13    7   10 1
    14    8    9 1
    15    9   12 2
    16    9   16 1
    17   10   11 2
    18   10   23 1
    19   11   12 1
    20   11   15 1
    21   12   13 1
    22   13   14 1
    23   13   28 2
    24   14   15 1
    25   16   17 2
    26   16   21 1
    27   17   18 1
    28   18   19 2
    29   19   20 1
    30   20   21 2
    31   22   23 2
    32   22   27 1
    33   23   24 1
    34   24   25 2
    35   25   26 1
    36   26   27 2
    37    1   31 1
    38    1   32 1
    39    2   33 1
    40    3   34 1
    41    4   35 1
    42    4   36 1
    43   14   37 1
    44   15   38 1
    45   15   39 1
    46   18   40 1
    47   19   41 1
    48   20   42 1
    49   21   43 1
    50   24   44 1
    51   25   45 1
    52   26   46 1
    53   27   47 1
    54   29   48 1
    55   30   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3418
  Crash		| -0.7366
  Polar		| 2.2096
  FragIndex	| 1
  FragRMSD	| 1.006