@<TRIPOS>MOLECULE
BindingDB_50388142
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        91.8250   73.7858   -4.3253  N     
2    C        92.1795   75.0036   -4.8062  C     
3    N        92.6453   72.7257   -6.2870  N     
4    C        92.0609   72.6674   -5.0654  C     
5    C        93.0388   73.9610   -6.7577  C     
6    C        92.8129   75.1199   -6.0241  C     
7    N        93.3192   76.1621   -6.7159  N     
8    C        93.8590   75.6392   -7.8394  C     
9    N        93.6889   74.3062   -7.8808  N     
10   O        91.9351   76.0410   -4.2068  O     
11   C        92.8623   71.5409   -7.0875  C     
12   O        91.7184   71.5650   -4.6433  O     
13   C        93.3139   77.5462   -6.3487  C     
14   N        88.1479   78.7443   -3.6657  N     
15   C        88.5389   77.8206   -2.7613  C     
16   N        89.8400   77.6646   -2.4006  N     
17   C        90.7818   78.4936   -2.9227  C     
18   C        89.0959   79.5785   -4.2035  C     
19   C        90.4390   79.4690   -3.8499  C     
20   N        91.1268   80.3911   -4.5553  N     
21   C        90.2217   81.0547   -5.3052  C     
22   N        88.9770   80.5705   -5.1036  N     
23   C        92.5359   80.6319   -4.5770  C     
24   O        91.9605   78.4559   -2.5790  O     
25   O        87.6612   77.1338   -2.2483  O     
26   C        90.2060   76.6259   -1.4288  C     
27   C        86.7780   78.8354   -4.1231  C     
28   C        89.5566   75.2280   -1.6563  C     
29   C        89.8487   74.5624   -3.0239  C     
30   C        91.1520   73.7120   -3.0293  C     
31   H        94.3386   76.1714   -8.5683  H     
32   H        93.5070   70.8426   -6.5451  H     
33   H        93.3339   71.7424   -8.0534  H     
34   H        91.9085   71.0437   -7.2854  H     
35   H        92.2868   77.8960   -6.2639  H     
36   H        93.8311   78.1591   -7.0870  H     
37   H        93.8143   77.6831   -5.3802  H     
38   H        90.4356   81.8251   -5.9420  H     
39   H        92.8878   80.9030   -3.5844  H     
40   H        92.8002   81.4398   -5.2638  H     
41   H        93.0519   79.7237   -4.9141  H     
42   H        91.2885   76.4733   -1.3799  H     
43   H        89.9159   76.9760   -0.4406  H     
44   H        86.5371   77.9340   -4.6911  H     
45   H        86.6010   79.7040   -4.7602  H     
46   H        86.0833   78.9076   -3.2855  H     
47   H        89.8859   74.5555   -0.8552  H     
48   H        88.4667   75.3132   -1.5526  H     
49   H        89.0102   73.9084   -3.3047  H     
50   H        89.9262   75.3460   -3.7791  H     
51   H        90.9158   72.6814   -2.7353  H     
52   H        91.8148   74.0749   -2.2364  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   30 1
     4    2    6 1
     5    2   10 2
     6    3    4 1
     7    3    5 1
     8    3   11 1
     9    4   12 2
    10    5    6 2
    11    5    9 1
    12    6    7 1
    13    7    8 1
    14    7   13 1
    15    8    9 2
    16   14   15 1
    17   14   18 1
    18   14   27 1
    19   15   16 1
    20   15   25 2
    21   16   17 1
    22   16   26 1
    23   17   19 1
    24   17   24 2
    25   18   19 2
    26   18   22 1
    27   19   20 1
    28   20   21 1
    29   20   23 1
    30   21   22 2
    31   26   28 1
    32   28   29 1
    33   29   30 1
    34    8   31 1
    35   11   32 1
    36   11   33 1
    37   11   34 1
    38   13   35 1
    39   13   36 1
    40   13   37 1
    41   21   38 1
    42   23   39 1
    43   23   40 1
    44   23   41 1
    45   26   42 1
    46   26   43 1
    47   27   44 1
    48   27   45 1
    49   27   46 1
    50   28   47 1
    51   28   48 1
    52   29   49 1
    53   29   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1188
  Crash		| -3.9610
  Polar		| 1.8998
  FragIndex	| 1
  FragRMSD	| 0.216