@<TRIPOS>MOLECULE
BindingDB_11449
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.6179   62.8219    4.6740  C     
2    C         4.5401   63.6622    5.0113  C     
3    C         3.8891   63.5547    6.2615  C     
4    C         4.4025   62.6272    7.2025  C     
5    C         5.4756   61.7798    6.8651  C     
6    C         6.0755   61.8563    5.5941  C     
7    N         2.8270   64.3907    6.4304  N     
8    C         1.8626   64.4943    7.3564  C     
9    C         1.3782   63.4627    8.0951  C     
10   C         0.2654   63.6413    8.9250  C     
11   C         0.1543   65.8832    8.2444  C     
12   C         0.5542   67.7129    7.2547  C     
13   N        -0.3334   64.8633    8.9870  N     
14   N         1.2156   65.6862    7.4363  N     
15   N         1.4544   66.8109    6.8230  N     
16   N        -0.2738   67.1459    8.1405  N     
17   N         7.1005   59.2296    5.7996  N     
18   S         7.3535   60.7592    5.1569  S     
19   O         7.6303   60.6670    3.5932  O     
20   O         8.6904   61.3079    5.8204  O     
21   C        -1.4556   62.5506   10.3475  C     
22   C        -3.4683   61.0886   10.9916  C     
23   C        -3.2666   61.4554   12.4835  C     
24   C        -2.5519   62.8295   12.6491  C     
25   C        -1.2255   62.8780   11.8547  C     
26   C        -2.1456   61.1625   10.1858  C     
27   N        -0.2346   62.5732    9.5985  N     
28   H         6.0366   62.9092    3.7457  H     
29   H         4.2006   64.3250    4.3071  H     
30   H         4.0199   62.5533    8.1398  H     
31   H         5.8022   61.0915    7.5474  H     
32   H         2.7584   65.0485    5.7244  H     
33   H         1.7395   62.5470    7.9945  H     
34   H         0.5007   68.6846    6.9472  H     
35   H         7.8269   58.7573    6.2411  H     
36   H         6.2280   58.8121    5.7172  H     
37   H        -2.1345   63.3003    9.9223  H     
38   H        -3.8711   60.0697   10.9321  H     
39   H        -4.2070   61.7640   10.5444  H     
40   H        -4.2387   61.4935   12.9804  H     
41   H        -2.6633   60.6822   12.9719  H     
42   H        -3.2175   63.6245   12.2965  H     
43   H        -2.3520   62.9984   13.7132  H     
44   H        -0.5117   62.1660   12.2857  H     
45   H        -0.8020   63.8809   11.9551  H     
46   H        -2.3669   60.9837    9.1263  H     
47   H        -1.4665   60.3705   10.5285  H     
48   H         0.2234   61.7257    9.4628  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   27 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   21   25 1
    25   21   26 1
    26   21   27 1
    27   22   23 1
    28   22   26 1
    29   23   24 1
    30   24   25 1
    31    1   28 1
    32    2   29 1
    33    4   30 1
    34    5   31 1
    35    7   32 1
    36    9   33 1
    37   12   34 1
    38   17   35 1
    39   17   36 1
    40   21   37 1
    41   22   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   25   45 1
    49   26   46 1
    50   26   47 1
    51   27   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3216
  Crash		| -0.9876
  Polar		| 1.2088
  FragIndex	| 1
  FragRMSD	| 0.509