@<TRIPOS>MOLECULE
BindingDB_50292719
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.9342   -3.4112   13.5223  C     
2    C        36.4365   -2.1792   13.3142  C     
3    N        35.9736   -1.3673   12.3105  N     
4    C        35.0214   -1.8645   11.4889  C     
5    N        34.5359   -3.0914   11.6858  N     
6    C        34.9581   -3.8586   12.6839  C     
7    O        34.4570   -4.9624   12.8380  O     
8    O        34.5527   -1.2495   10.5425  O     
9    C        36.5459   -0.0360   12.1203  C     
10   O        37.9258   -0.1529   11.7365  O     
11   C        38.7199    0.8392   12.3988  C     
12   C        37.7369    1.7927   13.1310  C     
13   C        36.4908    0.9160   13.3413  C     
14   O        35.2716    1.6634   13.4396  O     
15   O        37.4362    2.9251   12.3120  O     
16   C        39.7645    0.1277   13.3179  C     
17   N        40.6243   -0.9536   12.7068  N     
18   C        41.4030   -0.4902   11.5111  C     
19   C        42.4124   -1.5619   11.0209  C     
20   C        41.6969   -2.9080   10.7474  C     
21   C        40.9049   -3.3708   11.9931  C     
22   C        39.9296   -2.2654   12.4754  C     
23   H        36.2708   -3.9774   14.2665  H     
24   H        37.1662   -1.8713   13.9165  H     
25   H        33.8476   -3.4288   11.0869  H     
26   H        36.0661    0.4960   11.2907  H     
27   H        39.2631    1.4100   11.6393  H     
28   H        38.1295    2.1586   14.0834  H     
29   H        36.6102    0.3643   14.2754  H     
30   H        35.0465    1.9632   12.5351  H     
31   H        36.9192    3.5402   12.8772  H     
32   H        40.4301    0.8950   13.7198  H     
33   H        39.2357   -0.2912   14.1794  H     
34   H        41.3332   -1.1606   13.4157  H     
35   H        40.7297   -0.2451   10.6861  H     
36   H        41.9711    0.4086   11.7670  H     
37   H        42.9004   -1.2193   10.1037  H     
38   H        43.1814   -1.7049   11.7844  H     
39   H        41.0115   -2.7884    9.9032  H     
40   H        42.4363   -3.6664   10.4742  H     
41   H        40.3470   -4.2783   11.7428  H     
42   H        41.6070   -3.6123   12.7987  H     
43   H        39.4830   -2.6110   13.4123  H     
44   H        39.1344   -2.1630   11.7325  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    5   25 1
    28    9   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2006
  Crash		| -0.5592
  Polar		| 5.1651
  FragIndex	| 1
  FragRMSD	| 0.669