@<TRIPOS>MOLECULE
BindingDB_7122
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4202  203.3044  110.4953  C     
2    C       -11.4392  203.4931  111.4651  C     
3    C       -10.4675  204.3104  110.8806  C     
4    N       -11.9967  203.9597  109.4046  N     
5    N       -10.8615  204.5552  109.6154  N     
6    N        -9.3445  204.8739  111.4031  N     
7    C        -8.8245  204.7013  112.6190  C     
8    O        -9.2715  203.8468  113.3819  O     
9    C        -7.7113  205.4964  113.1346  C     
10   C        -6.4725  204.6591  113.2244  C     
11   C        -5.7063  204.3325  112.0845  C     
12   C        -6.0285  204.1574  114.4720  C     
13   C        -4.8626  203.3816  114.5688  C     
14   C       -13.7260  202.6087  110.6047  C     
15   C       -13.6855  201.0842  110.8017  C     
16   C       -14.2101  201.9792  111.9303  C     
17   C        -4.5136  203.5913  112.1958  C     
18   C        -4.0519  203.0843  113.4406  C     
19   C        -7.4290  206.8447  112.4237  C     
20   C        -2.3890  201.8214  114.7899  C     
21   N        -2.8913  202.3509  113.5493  N     
22   C        -0.9944  201.2410  114.5011  C     
23   C        -1.0139  200.9974  112.9901  C     
24   C        -2.0229  202.0273  112.4554  C     
25   H       -11.4788  203.1418  112.4243  H     
26   H       -12.4812  204.0041  108.5629  H     
27   H        -8.8717  205.4905  110.8242  H     
28   H        -8.0171  205.7998  114.1456  H     
29   H        -6.0048  204.6516  111.1552  H     
30   H        -6.5622  204.3521  115.3248  H     
31   H        -4.6197  203.0361  115.4982  H     
32   H       -14.5235  202.9374  109.9316  H     
33   H       -14.4460  200.5154  110.2654  H     
34   H       -12.7031  200.6427  110.9756  H     
35   H       -13.5476  202.0217  112.7973  H     
36   H       -15.2933  201.9096  112.0779  H     
37   H        -3.9859  203.4237  111.3394  H     
38   H        -7.1166  206.6939  111.3890  H     
39   H        -6.6295  207.3758  112.9501  H     
40   H        -8.3173  207.4831  112.4316  H     
41   H        -2.2931  202.6034  115.5515  H     
42   H        -3.0575  201.0343  115.1545  H     
43   H        -0.2158  201.9704  114.7488  H     
44   H        -0.8105  200.3163  115.0569  H     
45   H        -0.0209  201.1322  112.5520  H     
46   H        -1.3670  199.9789  112.7872  H     
47   H        -2.5615  201.5831  111.6127  H     
48   H        -1.5056  202.9294  112.1180  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   14 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 1
    11    9   10 1
    12    9   19 1
    13   10   11 1
    14   10   12 2
    15   11   17 2
    16   12   13 1
    17   13   18 2
    18   14   15 1
    19   14   16 1
    20   15   16 1
    21   17   18 1
    22   18   21 1
    23   20   21 1
    24   20   22 1
    25   21   24 1
    26   22   23 1
    27   23   24 1
    28    2   25 1
    29    4   26 1
    30    6   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   15   33 1
    37   15   34 1
    38   16   35 1
    39   16   36 1
    40   17   37 1
    41   19   38 1
    42   19   39 1
    43   19   40 1
    44   20   41 1
    45   20   42 1
    46   22   43 1
    47   22   44 1
    48   23   45 1
    49   23   46 1
    50   24   47 1
    51   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1165
  Crash		| -1.3072
  Polar		| 2.9311
  FragIndex	| 1
  FragRMSD	| 0.846