@<TRIPOS>MOLECULE
BindingDB_7162
 47 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.9007  205.5659  110.4680  C     
2    C       -12.0242  206.0744  111.4221  C     
3    C       -10.8895  206.4874  110.7317  C     
4    N       -12.2732  205.6781  109.2888  N     
5    N       -11.1055  206.2172  109.4336  N     
6    N        -9.7447  207.0803  111.1380  N     
7    C        -9.3659  207.4402  112.3597  C     
8    O       -10.0483  207.2016  113.3486  O     
9    C       -14.2727  205.0381  110.6125  C     
10   C       -14.4425  203.8373  111.5575  C     
11   C       -15.0678  205.1889  111.9222  C     
12   C        -8.0922  208.1186  112.5418  C     
13   C        -7.0194  207.1588  112.9103  C     
14   C        -4.9871  205.2807  113.6490  C     
15   C        -5.0322  205.8347  112.3471  C     
16   C        -6.0350  206.7522  111.9819  C     
17   C        -6.9715  206.6177  114.2130  C     
18   C        -5.9759  205.6935  114.5743  C     
19   C        -3.9829  204.3352  114.0278  C     
20   C        -3.5371  203.3348  113.1301  C     
21   C        -3.4233  204.3476  115.3285  C     
22   C        -2.4820  203.3836  115.7277  C     
23   C        -2.0371  202.3755  114.8357  C     
24   C        -2.5846  202.3772  113.5267  C     
25   C        -1.1026  201.4180  115.2463  C     
26   O        -0.7738  201.3013  116.4185  O     
27   N        -0.4997  200.5932  114.4197  N     
28   H       -12.1980  206.1441  112.4260  H     
29   H       -12.6523  205.4149  108.4358  H     
30   H        -9.1207  207.2874  110.4245  H     
31   H       -14.8742  204.9464  109.7078  H     
32   H       -15.1582  203.0737  111.2461  H     
33   H       -13.5904  203.5461  112.1741  H     
34   H       -14.5876  205.7304  112.7399  H     
35   H       -16.1515  205.2604  111.8032  H     
36   H        -7.8242  208.6591  111.6291  H     
37   H        -8.1847  208.8796  113.3217  H     
38   H        -4.3330  205.5773  111.6471  H     
39   H        -6.0438  207.1211  111.0272  H     
40   H        -7.6695  206.8845  114.9131  H     
41   H        -6.0003  205.3045  115.5220  H     
42   H        -3.9278  203.2709  112.1866  H     
43   H        -3.6937  205.0631  116.0041  H     
44   H        -2.1161  203.4323  116.6809  H     
45   H        -2.3308  201.6528  112.8529  H     
46   H         0.1503  199.9549  114.7572  H     
47   H        -0.6635  200.6485  113.4668  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 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   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 1
    15   13   16 1
    16   13   17 2
    17   14   15 1
    18   14   18 2
    19   14   19 1
    20   15   16 2
    21   17   18 1
    22   19   20 1
    23   19   21 2
    24   20   24 2
    25   21   22 1
    26   22   23 2
    27   23   24 1
    28   23   25 1
    29   25   26 2
    30   25   27 am
    31    2   28 1
    32    4   29 1
    33    6   30 1
    34    9   31 1
    35   10   32 1
    36   10   33 1
    37   11   34 1
    38   11   35 1
    39   12   36 1
    40   12   37 1
    41   15   38 1
    42   16   39 1
    43   17   40 1
    44   18   41 1
    45   20   42 1
    46   21   43 1
    47   22   44 1
    48   24   45 1
    49   27   46 1
    50   27   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0763
  Crash		| -0.8465
  Polar		| 4.5510
  FragIndex	| 1
  FragRMSD	| 0.753