@<TRIPOS>MOLECULE
BindingDB_7104
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4512  203.2765  110.4985  C     
2    C       -11.4768  203.4971  111.4598  C     
3    C       -10.5270  204.3346  110.8792  C     
4    N       -12.0507  203.9422  109.4020  N     
5    N       -10.9342  204.5689  109.6175  N     
6    N        -9.4092  204.9093  111.3944  N     
7    C        -8.8767  204.7260  112.6016  C     
8    O        -9.3104  203.8595  113.3599  O     
9    C        -7.7602  205.5167  113.1206  C     
10   C        -6.5213  204.6775  113.2154  C     
11   C        -4.9733  203.3532  114.5771  C     
12   C        -6.1171  204.1603  114.4670  C     
13   C        -5.7438  204.3331  112.0882  C     
14   C        -4.5912  203.5347  112.2142  C     
15   C       -13.7326  202.5464  110.6156  C     
16   C       -13.6623  201.0141  110.7186  C     
17   C       -14.1454  201.8332  111.9193  C     
18   C        -7.5052  206.8840  112.4232  C     
19   C        -4.1462  203.0221  113.4703  C     
20   C        -2.4379  201.8694  114.9268  C     
21   C        -1.4126  200.7426  114.6643  C     
22   C        -1.2186  200.7783  113.1468  C     
23   N        -2.9917  202.2282  113.6342  N     
24   C        -2.2261  201.6889  112.6833  C     
25   O        -2.3128  201.8645  111.4742  O     
26   C        -1.7754  203.0859  115.6405  C     
27   H       -11.5005  203.1573  112.4172  H     
28   H       -12.5374  203.9692  108.5595  H     
29   H        -8.9580  205.5471  110.8122  H     
30   H        -8.0680  205.8150  114.1339  H     
31   H        -4.7688  203.0035  115.5113  H     
32   H        -6.6628  204.3517  115.3151  H     
33   H        -6.0097  204.6738  111.1642  H     
34   H        -4.0858  203.3380  111.3502  H     
35   H       -14.5782  202.9146  110.0262  H     
36   H       -14.4334  200.4684  110.1737  H     
37   H       -12.6716  200.5727  110.8223  H     
38   H       -13.4535  201.8335  112.7626  H     
39   H       -15.2151  201.7347  112.1179  H     
40   H        -7.2241  206.7531  111.3757  H     
41   H        -6.6960  207.4076  112.9409  H     
42   H        -8.4056  207.5079  112.4693  H     
43   H        -3.2042  201.4435  115.5805  H     
44   H        -0.4617  200.8882  115.1891  H     
45   H        -1.8238  199.7731  114.9679  H     
46   H        -0.2180  201.1378  112.8801  H     
47   H        -1.3820  199.7812  112.7251  H     
48   H        -1.3963  202.7824  116.6199  H     
49   H        -2.4883  203.8982  115.7904  H     
50   H        -0.9388  203.4726  115.0510  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   23 1
    23   20   21 1
    24   20   23 1
    25   20   26 1
    26   21   22 1
    27   22   24 1
    28   23   24 1
    29   24   25 2
    30    2   27 1
    31    4   28 1
    32    6   29 1
    33    9   30 1
    34   11   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   15   35 1
    39   16   36 1
    40   16   37 1
    41   17   38 1
    42   17   39 1
    43   18   40 1
    44   18   41 1
    45   18   42 1
    46   20   43 1
    47   21   44 1
    48   21   45 1
    49   22   46 1
    50   22   47 1
    51   26   48 1
    52   26   49 1
    53   26   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0996
  Crash		| -1.6386
  Polar		| 2.8779
  FragIndex	| 1
  FragRMSD	| 0.954