@<TRIPOS>MOLECULE
BindingDB_50182010
 47 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.6800   11.8050    3.7225  N     
2    C         0.0969   11.5178    4.9198  C     
3    N         0.7912   10.7795    5.8329  N     
4    C         1.9251   11.3590    3.3958  C     
5    C         2.6143   10.5732    4.3270  C     
6    C         2.0319   10.3035    5.5589  C     
7    N         2.8906    9.5448    6.2748  N     
8    C         3.9524    9.3248    5.4889  C     
9    C         3.8087    9.9389    4.3149  C     
10   N        -1.1401   12.0139    5.1462  N     
11   C        -1.9257   11.8647    6.2560  C     
12   C        -2.7087   12.9687    6.6500  C     
13   C        -3.6252   12.8784    7.7160  C     
14   C        -3.7207   11.6813    8.4541  C     
15   C        -2.9222   10.5804    8.0855  C     
16   C        -2.0594   10.6619    6.9792  C     
17   O        -3.0051    9.3879    8.7486  O     
18   C        -2.5077    9.4424   10.0959  C     
19   O        -4.4723   11.5696    9.5991  O     
20   C        -5.7031   10.8209    9.5011  C     
21   O        -4.3886   13.9543    8.0723  O     
22   C        -5.6488   14.0077    7.3802  C     
23   C         2.7148    9.0413    7.5435  C     
24   C         1.9366    9.6977    8.5354  C     
25   C         1.8174    9.1245    9.8194  C     
26   C         2.4534    7.8998   10.1051  C     
27   C         3.2243    7.2825    9.1038  C     
28   N         3.3320    7.8690    7.8818  N     
29   H         2.3443   11.5761    2.4926  H     
30   H         4.7500    8.7936    5.7430  H     
31   H         4.4559    9.9167    3.5647  H     
32   H        -1.4914   12.5931    4.4515  H     
33   H        -2.6340   13.8520    6.1380  H     
34   H        -1.5375    9.8265    6.6972  H     
35   H        -1.4877    9.8323   10.1339  H     
36   H        -2.4971    8.4237   10.5015  H     
37   H        -3.1577   10.0521   10.7318  H     
38   H        -6.4635   11.4399    9.0295  H     
39   H        -6.0507   10.5914   10.5096  H     
40   H        -5.5831    9.8845    8.9403  H     
41   H        -5.5204   14.1406    6.3031  H     
42   H        -6.2038   14.8644    7.7586  H     
43   H        -6.2552   13.1205    7.5577  H     
44   H         1.4896   10.6009    8.3535  H     
45   H         1.2831    9.6053   10.5503  H     
46   H         2.3785    7.4744   11.0337  H     
47   H         3.7197    6.4114    9.2835  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   10 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   23 1
    12    8    9 2
    13   10   11 1
    14   11   12 1
    15   11   16 2
    16   12   13 2
    17   13   14 1
    18   13   21 1
    19   14   15 2
    20   14   19 1
    21   15   16 1
    22   15   17 1
    23   17   18 1
    24   19   20 1
    25   21   22 1
    26   23   24 2
    27   23   28 1
    28   24   25 1
    29   25   26 2
    30   26   27 1
    31   27   28 2
    32    4   29 1
    33    8   30 1
    34    9   31 1
    35   10   32 1
    36   12   33 1
    37   16   34 1
    38   18   35 1
    39   18   36 1
    40   18   37 1
    41   20   38 1
    42   20   39 1
    43   20   40 1
    44   22   41 1
    45   22   42 1
    46   22   43 1
    47   24   44 1
    48   25   45 1
    49   26   46 1
    50   27   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7448
  Crash		| -0.9956
  Polar		| 2.1557
  FragIndex	| 1
  FragRMSD	| 0.269