@<TRIPOS>MOLECULE
BindingDB_50156087
 68 72 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        62.4874   11.5820   -7.2032  C     
2    C        61.2233   11.0056   -7.0685  C     
3    N        63.2899   10.6712   -7.7971  N     
4    C        60.1789   11.7229   -6.4595  C     
5    N        61.2628    9.7631   -7.5622  N     
6    C        62.5274    9.5677   -7.9790  C     
7    N        62.7105   12.8440   -6.7438  N     
8    N        60.4598   12.9829   -6.0210  N     
9    C        61.6966   13.5440   -6.1575  C     
10   N        59.0017   11.0891   -6.2604  N     
11   N        62.1536   15.7879   -5.3194  N     
12   C        61.9215   14.7360   -5.7110  C     
13   C        57.8595   11.5783   -5.7147  C     
14   N        61.8796    8.6304   -3.5546  N     
15   N        64.3055    7.1880   -4.4785  N     
16   C        64.7128   10.7506   -8.0538  C     
17   C        57.1374   10.7265   -4.8454  C     
18   C        63.3715    6.5516   -3.4854  C     
19   C        63.6555    8.2429   -5.3145  C     
20   C        62.5285    7.5898   -2.6835  C     
21   C        62.9096    9.2716   -4.4254  C     
22   O        57.6371    9.4947   -4.5017  O     
23   C        60.6455    8.1705   -4.2890  C     
24   C        59.3779    8.1890   -3.3866  C     
25   C        65.0075    6.1852   -5.3239  C     
26   C        57.3168   12.8346   -6.0700  C     
27   C        58.5896    9.5252   -3.4186  C     
28   C        55.8665   11.1244   -4.3732  C     
29   C        65.1532   10.1803   -9.4224  C     
30   C        65.3370   12.1695   -8.0404  C     
31   C        56.0515   13.2235   -5.5911  C     
32   C        55.3219   12.3662   -4.7457  C     
33   C        66.5056   12.1773   -9.0565  C     
34   C        66.5626   10.7549   -9.6523  C     
35   H        62.8645    8.6947   -8.3853  H     
36   H        58.9998   10.1387   -6.4601  H     
37   H        61.5557    9.3669   -2.9243  H     
38   H        65.0537    7.6478   -3.9486  H     
39   H        65.2113   10.1652   -7.2741  H     
40   H        62.6903    5.8636   -3.9930  H     
41   H        63.9608    5.9659   -2.7679  H     
42   H        64.4238    8.7768   -5.8805  H     
43   H        62.9466    7.8010   -6.0228  H     
44   H        63.1837    8.1132   -1.9777  H     
45   H        61.7781    7.0611   -2.0862  H     
46   H        62.4467   10.0472   -5.0439  H     
47   H        63.6342    9.7830   -3.7864  H     
48   H        60.4368    8.7977   -5.1623  H     
49   H        60.7975    7.1510   -4.6667  H     
50   H        58.7119    7.3821   -3.7118  H     
51   H        59.6588    7.9742   -2.3523  H     
52   H        64.3082    5.6490   -5.9777  H     
53   H        65.5304    5.4566   -4.6956  H     
54   H        65.7583    6.6817   -5.9435  H     
55   H        57.8060   13.4464   -6.7222  H     
56   H        59.2975   10.3518   -3.5042  H     
57   H        58.0400    9.6375   -2.4825  H     
58   H        55.3263   10.4964   -3.7683  H     
59   H        65.1905    9.0901   -9.4190  H     
60   H        64.4723   10.5162  -10.2146  H     
61   H        64.5963   12.9119   -8.3529  H     
62   H        65.6923   12.4322   -7.0397  H     
63   H        55.6530   14.1239   -5.8726  H     
64   H        54.4006   12.6430   -4.4067  H     
65   H        66.3105   12.8989   -9.8589  H     
66   H        67.4582   12.4361   -8.5727  H     
67   H        67.3126   10.1456   -9.1262  H     
68   H        66.8087   10.7723  -10.7205  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    7 1
     4    2    4 1
     5    2    5 1
     6    3    6 1
     7    3   16 1
     8    4    8 2
     9    4   10 1
    10    5    6 2
    11    7    9 2
    12    8    9 1
    13    9   12 1
    14   10   13 1
    15   11   12 3
    16   13   17 2
    17   13   26 1
    18   14   20 1
    19   14   21 1
    20   14   23 1
    21   15   18 1
    22   15   19 1
    23   15   25 1
    24   16   29 1
    25   16   30 1
    26   17   22 1
    27   17   28 1
    28   18   20 1
    29   19   21 1
    30   22   27 1
    31   23   24 1
    32   24   27 1
    33   26   31 2
    34   28   32 2
    35   29   34 1
    36   30   33 1
    37   31   32 1
    38   33   34 1
    39    6   35 1
    40   10   36 1
    41   14   37 1
    42   15   38 1
    43   16   39 1
    44   18   40 1
    45   18   41 1
    46   19   42 1
    47   19   43 1
    48   20   44 1
    49   20   45 1
    50   21   46 1
    51   21   47 1
    52   23   48 1
    53   23   49 1
    54   24   50 1
    55   24   51 1
    56   25   52 1
    57   25   53 1
    58   25   54 1
    59   26   55 1
    60   27   56 1
    61   27   57 1
    62   28   58 1
    63   29   59 1
    64   29   60 1
    65   30   61 1
    66   30   62 1
    67   31   63 1
    68   32   64 1
    69   33   65 1
    70   33   66 1
    71   34   67 1
    72   34   68 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9363
  Crash		| -1.1553
  Polar		| 2.1101
  FragIndex	| 1
  FragRMSD	| 0.590