@<TRIPOS>MOLECULE
BindingDB_7175
 53 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -14.6805  203.8623  111.7834  C     
2    C       -12.2094  205.1315  111.2813  C     
3    C       -13.1492  204.9719  110.2643  C     
4    C       -11.1115  205.7179  110.6657  C     
5    C       -13.7319  204.0447  112.8174  C     
6    C       -12.5107  204.6923  112.5864  C     
7    C       -13.7294  203.6789  114.1631  C     
8    N       -11.4140  205.9097  109.3669  N     
9    N       -12.6145  205.4732  109.1434  N     
10   N       -12.5598  204.1141  114.6695  N     
11   N       -11.8470  204.7184  113.7612  N     
12   C       -10.6503  205.2966  114.0639  C     
13   C        -9.1466  207.2309  114.0521  C     
14   C        -8.1610  206.4847  114.7313  C     
15   C        -8.4432  205.1613  115.1216  C     
16   C        -9.6795  204.5759  114.7965  C     
17   C       -10.3761  206.6343  113.7042  C     
18   O        -6.7650  208.6912  115.3929  O     
19   S        -6.5768  207.1633  114.9875  S     
20   O        -5.8697  206.4667  116.2314  O     
21   C       -14.6961  203.0082  114.8866  C     
22   O       -15.7676  202.7131  114.3839  O     
23   N       -14.5026  202.6454  116.1340  N     
24   C       -14.3937  204.3547  110.4953  C     
25   C        -3.2856  207.4651  112.7090  C     
26   C        -4.7750  205.8391  111.6091  C     
27   C        -5.9732  206.3535  112.4555  C     
28   C        -4.4751  208.0038  113.5476  C     
29   N        -5.5449  207.0488  113.6464  N     
30   N        -3.7632  206.9202  111.4032  N     
31   C        -2.6478  206.5166  110.5031  C     
32   H       -15.5676  203.3824  111.9490  H     
33   H       -10.2174  205.9501  111.1004  H     
34   H       -13.0586  205.4895  108.2846  H     
35   H        -8.9678  208.2049  113.7821  H     
36   H        -7.7442  204.6056  115.6142  H     
37   H        -9.8608  203.6112  115.0803  H     
38   H       -11.0756  207.1841  113.1976  H     
39   H       -15.1921  202.1555  116.6091  H     
40   H       -13.6646  202.8498  116.5765  H     
41   H       -15.0751  204.2550  109.7450  H     
42   H        -2.5928  208.2927  112.5342  H     
43   H        -2.7595  206.6949  113.2816  H     
44   H        -4.3166  204.9817  112.1138  H     
45   H        -5.1563  205.4972  110.6409  H     
46   H        -6.5757  207.0315  111.8439  H     
47   H        -6.5899  205.4895  112.7099  H     
48   H        -4.1024  208.2712  114.5351  H     
49   H        -4.8543  208.9177  113.0915  H     
50   H        -4.2530  207.6898  110.9445  H     
51   H        -2.0624  205.7034  110.9408  H     
52   H        -1.9843  207.3652  110.3187  H     
53   H        -3.0348  206.1873  109.5360  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1   24 2
     3    2    3 2
     4    2    4 1
     5    2    6 1
     6    3    9 1
     7    3   24 1
     8    4    8 2
     9    5    6 2
    10    5    7 1
    11    6   11 1
    12    7   10 2
    13    7   21 1
    14    8    9 1
    15   10   11 1
    16   11   12 1
    17   12   16 1
    18   12   17 2
    19   13   14 2
    20   13   17 1
    21   14   15 1
    22   14   19 1
    23   15   16 2
    24   18   19 2
    25   19   20 2
    26   19   29 1
    27   21   22 2
    28   21   23 am
    29   25   28 1
    30   25   30 1
    31   26   27 1
    32   26   30 1
    33   27   29 1
    34   28   29 1
    35   30   31 1
    36    1   32 1
    37    4   33 1
    38    9   34 1
    39   13   35 1
    40   15   36 1
    41   16   37 1
    42   17   38 1
    43   23   39 1
    44   23   40 1
    45   24   41 1
    46   25   42 1
    47   25   43 1
    48   26   44 1
    49   26   45 1
    50   27   46 1
    51   27   47 1
    52   28   48 1
    53   28   49 1
    54   30   50 1
    55   31   51 1
    56   31   52 1
    57   31   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1204
  Crash		| -3.6686
  Polar		| 5.6178
  FragIndex	| 1
  FragRMSD	| 0.316