@<TRIPOS>MOLECULE
BindingDB_17968
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3103   95.8847  143.7352  C     
2    C         7.6771   94.9929  141.5768  C     
3    C         8.8610   94.3485  142.0252  C     
4    C         9.2332   94.5220  143.3905  C     
5    N         8.4324   95.2805  144.1874  N     
6    N         6.9477   95.7382  142.4391  N     
7    N         6.5673   96.6214  144.5819  N     
8    N         7.2095   94.9138  140.3179  N     
9    C        10.3963   93.8615  144.0515  C     
10   C        11.1127   94.7419  145.1018  C     
11   C         9.6385   93.5520  141.1431  C     
12   C        10.8893   94.0251  140.6902  C     
13   C         9.2007   92.2710  140.7511  C     
14   C         9.9982   91.4874  139.9068  C     
15   C        11.7273   93.2543  139.8402  C     
16   C        11.2362   91.9749  139.4438  C     
17   C        13.3277   91.3469  138.5330  C     
18   C        13.7157   92.8449  138.4593  C     
19   O        11.9022   91.1900  138.5398  O     
20   N        12.9608   93.6782  139.3768  N     
21   C        13.5154   94.9999  139.6601  C     
22   C        14.0898   95.1648  141.1080  C     
23   C        13.9596   96.5981  141.6958  C     
24   O        15.1693   97.0367  142.3577  O     
25   C        15.0513   98.3271  142.9931  C     
26   H         5.7506   97.0569  144.2780  H     
27   H         6.8472   96.7046  145.5103  H     
28   H         6.3866   95.3700  140.0814  H     
29   H         7.6834   94.4028  139.6497  H     
30   H        10.0217   92.9653  144.5457  H     
31   H        11.1481   93.5381  143.3328  H     
32   H        11.3801   95.7151  144.6815  H     
33   H        12.0140   94.2449  145.4541  H     
34   H        10.4546   94.8922  145.9573  H     
35   H        11.1904   94.9513  141.0061  H     
36   H         8.3110   91.8959  141.0879  H     
37   H         9.6732   90.5612  139.6155  H     
38   H        13.7256   90.8186  137.6644  H     
39   H        13.7522   90.8978  139.4365  H     
40   H        14.7912   92.9074  138.6584  H     
41   H        13.5339   93.2035  137.4416  H     
42   H        14.3300   95.2417  138.9662  H     
43   H        12.7511   95.7478  139.4492  H     
44   H        13.5898   94.4701  141.7864  H     
45   H        15.1454   94.8760  141.0903  H     
46   H        13.7139   97.3132  140.9049  H     
47   H        13.1357   96.5916  142.4140  H     
48   H        14.8614   99.1093  142.2504  H     
49   H        15.9933   98.5526  143.4959  H     
50   H        14.2604   98.3464  143.7494  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   20 1
    19   16   19 1
    20   17   18 1
    21   17   19 1
    22   18   20 1
    23   20   21 1
    24   21   22 1
    25   22   23 1
    26   23   24 1
    27   24   25 1
    28    7   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   10   34 1
    37   12   35 1
    38   13   36 1
    39   14   37 1
    40   17   38 1
    41   17   39 1
    42   18   40 1
    43   18   41 1
    44   21   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   23   46 1
    49   23   47 1
    50   25   48 1
    51   25   49 1
    52   25   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5089
  Crash		| -0.9554
  Polar		| 4.1625
  FragIndex	| 1
  FragRMSD	| 0.329