@<TRIPOS>MOLECULE
BindingDB_50292718
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.6276   -4.0546   13.5808  C     
2    C        36.2800   -2.8986   13.3532  C     
3    N        35.9750   -2.0965   12.2840  N     
4    C        34.9833   -2.4949   11.4562  C     
5    N        34.3487   -3.6460   11.6767  N     
6    C        34.6539   -4.4270   12.7084  C     
7    O        34.0653   -5.4897   12.8411  O     
8    O        34.6282   -1.8725   10.4645  O     
9    C        36.7966   -0.9258   12.0049  C     
10   O        38.1301   -1.3672   11.7488  O     
11   C        39.0701   -0.3377   12.0590  C     
12   C        38.2785    0.7890   12.7810  C     
13   C        36.9368    0.1212   13.1296  C     
14   O        35.8486    1.0432   13.1621  O     
15   O        38.0803    1.9007   11.9033  O     
16   C        40.2220   -0.9564   12.9035  C     
17   N        40.8440   -2.2450   12.4612  N     
18   C        40.0543   -3.4977   12.5436  C     
19   C        41.0379   -4.5421   11.9980  C     
20   C        41.7729   -3.7847   10.8761  C     
21   C        41.4826   -2.2866   11.1258  C     
22   H        35.8684   -4.6288   14.3565  H     
23   H        37.0179   -2.6553   13.9737  H     
24   H        33.6578   -3.9301   11.0581  H     
25   H        36.4670   -0.3966   11.1017  H     
26   H        39.4822    0.0420   11.1203  H     
27   H        38.7771    1.1469   13.6870  H     
28   H        37.0184   -0.3559   14.1107  H     
29   H        35.2185    0.6608   13.8051  H     
30   H        38.7819    2.5423   12.1436  H     
31   H        41.0231   -0.2138   12.9599  H     
32   H        39.8600   -1.1032   13.9257  H     
33   H        41.6138   -2.3865   13.1208  H     
34   H        39.7656   -3.7232   13.5738  H     
35   H        39.1662   -3.4940   11.8995  H     
36   H        41.7422   -4.8390   12.7811  H     
37   H        40.5183   -5.4295   11.6242  H     
38   H        42.8460   -3.9929   10.9031  H     
39   H        41.3759   -4.0881    9.9048  H     
40   H        40.8137   -1.9072   10.3471  H     
41   H        42.4051   -1.6992   11.1215  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   21 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24    1   22 1
    25    2   23 1
    26    5   24 1
    27    9   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4042
  Crash		| -0.6520
  Polar		| 4.3551
  FragIndex	| 1
  FragRMSD	| 0.241