@<TRIPOS>MOLECULE
BindingDB_50156089
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        59.0331   11.5618   -5.7679  N     
2    C        60.2230   12.1561   -5.9570  C     
3    C        57.8925   12.1089   -5.0703  C     
4    C        61.0439   11.2682   -6.6467  C     
5    O        56.7507   11.2186   -5.1770  O     
6    C        57.3624   13.4766   -5.5750  C     
7    N        60.3586   10.1368   -6.8573  N     
8    C        62.3509   11.6566   -6.9972  C     
9    C        59.1422   10.3257   -6.3124  C     
10   C        55.8515   13.4491   -5.2191  C     
11   N        60.6739   13.3863   -5.6082  N     
12   N        62.7444   12.9127   -6.6346  N     
13   C        55.5766   11.9753   -4.8488  C     
14   C        61.9387   13.7704   -5.9487  C     
15   N        63.1373   10.8103   -7.7070  N     
16   N        62.7092   16.0201   -5.4236  N     
17   C        62.3439   14.9593   -5.6665  C     
18   O        58.1280   14.5400   -4.9992  O     
19   O        55.4806   14.2989   -4.1301  O     
20   O        54.4826   11.4181   -5.5639  O     
21   C        64.4820   11.0560   -8.1478  C     
22   C        65.4082    9.8903   -7.6965  C     
23   C        64.4988   11.2081   -9.6933  C     
24   C        66.8545   10.0664   -8.2343  C     
25   C        65.9410   11.3919  -10.2288  C     
26   C        66.8783   10.2450   -9.7735  C     
27   H        58.1469   12.1991   -4.0101  H     
28   H        57.4491   13.5153   -6.6573  H     
29   H        58.4181    9.6129   -6.3307  H     
30   H        55.2459   13.7296   -6.0800  H     
31   H        55.3931   11.8505   -3.7788  H     
32   H        62.7432    9.9638   -7.9636  H     
33   H        57.5689   15.3499   -5.0190  H     
34   H        55.3223   15.1997   -4.5171  H     
35   H        53.6874   11.9427   -5.2858  H     
36   H        64.8736   11.9810   -7.7033  H     
37   H        65.4396    9.8397   -6.6059  H     
38   H        65.0063    8.9362   -8.0669  H     
39   H        64.0545   10.3317  -10.1555  H     
40   H        63.9010   12.0794   -9.9767  H     
41   H        67.3106   10.9384   -7.7624  H     
42   H        67.4496    9.1907   -7.9655  H     
43   H        65.9187   11.4291  -11.3257  H     
44   H        66.3427   12.3490   -9.8772  H     
45   H        67.9001   10.4627  -10.0983  H     
46   H        66.5675    9.3144  -10.2542  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    1 1
     3    1    9 1
     4    2    4 2
     5    2   11 1
     6    3    5 1
     7    3    6 1
     8    4    7 1
     9    4    8 1
    10    5   13 1
    11    6   10 1
    12    6   18 1
    13    7    9 2
    14    8   12 2
    15    8   15 1
    16   10   13 1
    17   10   19 1
    18   11   14 2
    19   12   14 1
    20   13   20 1
    21   14   17 1
    22   15   21 1
    23   16   17 3
    24   21   22 1
    25   21   23 1
    26   22   24 1
    27   23   25 1
    28   24   26 1
    29   25   26 1
    30    3   27 1
    31    6   28 1
    32    9   29 1
    33   10   30 1
    34   13   31 1
    35   15   32 1
    36   18   33 1
    37   19   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
    41   22   38 1
    42   23   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.0027
  Crash		| -0.4325
  Polar		| 0.0213
  FragIndex	| 1
  FragRMSD	| 0.618