@<TRIPOS>MOLECULE
BindingDB_11452
 51 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.3427   61.7444    7.0076  C     
2    C         4.2595   62.6175    7.2247  C     
3    C         3.8465   63.5304    6.2259  C     
4    C         4.6063   63.5965    5.0366  C     
5    C         5.6889   62.7278    4.8141  C     
6    C         6.0494   61.7751    5.7882  C     
7    N         2.7928   64.3831    6.3178  N     
8    C         1.7805   64.4607    7.1990  C     
9    C         1.2334   63.3894    7.8247  C     
10   C         0.1674   63.5605    8.7234  C     
11   C         0.1563   65.8540    8.2114  C     
12   C         0.6649   67.7323    7.3806  C     
13   N        -0.3615   64.8053    8.8939  N     
14   N         1.1971   65.6711    7.3762  N     
15   N         1.5054   66.8228    6.8606  N     
16   N        -0.1897   67.1473    8.2312  N     
17   N         7.2962   60.0526    3.9097  N     
18   S         7.3521   60.6623    5.4745  S     
19   O         8.7746   61.3338    5.7079  O     
20   O         7.2395   59.4088    6.4412  O     
21   N        -0.3003   62.4894    9.4168  N     
22   C        -1.3352   62.4992   10.4171  C     
23   C        -0.8791   63.2560   11.7033  C     
24   C        -1.9510   63.1864   12.8207  C     
25   C        -2.2924   61.7131   13.1643  C     
26   C        -2.7978   60.9693   11.9034  C     
27   C        -1.7476   61.0380   10.7582  C     
28   N        -3.2611   61.6533   14.2683  N     
29   H         5.6109   61.0919    7.7448  H     
30   H         3.7890   62.5901    8.1346  H     
31   H         4.3498   64.2600    4.2973  H     
32   H         6.1987   62.7899    3.9305  H     
33   H         2.7923   65.0765    5.6358  H     
34   H         1.5627   62.4718    7.6316  H     
35   H         0.6817   68.7292    7.1674  H     
36   H         7.5825   59.1406    3.7377  H     
37   H         7.0905   60.6471    3.1686  H     
38   H         0.1115   61.6293    9.2257  H     
39   H        -2.2149   63.0053   10.0101  H     
40   H         0.0565   62.8254   12.0729  H     
41   H        -0.6943   64.3071   11.4728  H     
42   H        -1.5758   63.7068   13.7076  H     
43   H        -2.8567   63.7054   12.4915  H     
44   H        -1.3813   61.2183   13.5223  H     
45   H        -2.9952   59.9179   12.1472  H     
46   H        -3.7391   61.4130   11.5611  H     
47   H        -2.1639   60.5631    9.8658  H     
48   H        -0.8619   60.4656   11.0577  H     
49   H        -2.7924   61.9836   15.1179  H     
50   H        -3.5841   60.6923   14.4026  H     
51   H        -4.0596   62.2597   14.0766  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
    53   28   50 1
    54   28   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3267
  Crash		| -0.9209
  Polar		| 3.1936
  FragIndex	| 1
  FragRMSD	| 1.020