@<TRIPOS>MOLECULE
BindingDB_7100
 47 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4283  203.1863  110.6282  C     
2    C       -11.4515  203.4499  111.5779  C     
3    C       -10.5403  204.3224  110.9863  C     
4    N       -12.0697  203.8796  109.5336  N     
5    N       -10.9740  204.5475  109.7340  N     
6    N        -9.4199  204.9183  111.4718  N     
7    C        -8.8369  204.7305  112.6589  C     
8    O        -9.2273  203.8460  113.4225  O     
9    C        -7.6928  205.5170  113.1378  C     
10   C        -6.4667  204.6686  113.2291  C     
11   C        -4.8887  203.3961  114.6077  C     
12   C        -6.0285  204.2018  114.4906  C     
13   C        -5.7224  204.2791  112.0946  C     
14   C        -4.5862  203.4554  112.2181  C     
15   C       -13.6540  202.3707  110.7588  C     
16   C       -13.4745  200.8426  110.7623  C     
17   C       -13.9624  201.5540  112.0326  C     
18   C        -7.3986  206.8447  112.3916  C     
19   C        -4.1204  202.9872  113.4834  C     
20   C        -2.1816  201.6662  112.7109  C     
21   C        -2.6047  201.6330  114.9198  C     
22   C        -1.4202  200.6763  114.6949  C     
23   C        -1.2448  200.6771  113.1738  C     
24   N        -3.0098  202.1388  113.6392  N     
25   O        -2.1837  201.9844  111.5221  O     
26   H       -11.4327  203.1131  112.5403  H     
27   H       -12.5733  203.8837  108.7018  H     
28   H        -8.9938  205.5650  110.8825  H     
29   H        -7.9865  205.8631  114.1360  H     
30   H        -4.6331  203.1058  115.5569  H     
31   H        -6.5489  204.4385  115.3412  H     
32   H        -6.0205  204.5831  111.1597  H     
33   H        -4.1168  203.1697  111.3526  H     
34   H       -14.5336  202.6975  110.2074  H     
35   H       -14.2287  200.2604  110.2294  H     
36   H       -12.4534  200.4678  110.8071  H     
37   H       -13.2357  201.5499  112.8467  H     
38   H       -15.0167  201.3843  112.2593  H     
39   H        -7.1366  206.6632  111.3486  H     
40   H        -6.5597  207.3536  112.8729  H     
41   H        -8.2684  207.5063  112.4278  H     
42   H        -3.4180  201.0989  115.4099  H     
43   H        -2.2800  202.4425  115.5743  H     
44   H        -0.5107  201.0524  115.1917  H     
45   H        -1.6566  199.6677  115.0713  H     
46   H        -1.5117  199.6960  112.7626  H     
47   H        -0.2202  200.9571  112.8996  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   15 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   18 1
    13   10   12 1
    14   10   13 2
    15   11   12 2
    16   11   19 1
    17   13   14 1
    18   14   19 2
    19   15   16 1
    20   15   17 1
    21   16   17 1
    22   19   24 1
    23   20   23 1
    24   20   24 1
    25   20   25 2
    26   21   22 1
    27   21   24 1
    28   22   23 1
    29    2   26 1
    30    4   27 1
    31    6   28 1
    32    9   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   15   34 1
    38   16   35 1
    39   16   36 1
    40   17   37 1
    41   17   38 1
    42   18   39 1
    43   18   40 1
    44   18   41 1
    45   21   42 1
    46   21   43 1
    47   22   44 1
    48   22   45 1
    49   23   46 1
    50   23   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4227
  Crash		| -1.9709
  Polar		| 2.4521
  FragIndex	| 1
  FragRMSD	| 0.889