@<TRIPOS>MOLECULE
BindingDB_16505
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.8079   19.6132   -8.3512  C     
2    C         9.2004   19.2271   -7.9881  C     
3    O         9.5350   19.8419   -8.9926  O     
4    C        10.2208   18.5921   -7.2091  C     
5    C        11.3146   17.7796   -7.8901  C     
6    C        12.5193   17.3549   -7.2254  C     
7    O        12.9908   16.2620   -7.5279  O     
8    N        13.0951   18.1297   -6.3136  N     
9    C        14.3120   17.8937   -5.5792  C     
10   C        14.3179   16.5513   -4.9786  C     
11   O        13.3666   16.2911   -4.2496  O     
12   C        14.5098   19.0798   -4.5559  C     
13   C        15.2813   18.7430   -3.2460  C     
14   O        10.1515   17.1671   -7.3160  O     
15   N         7.9331   19.1314   -7.6124  N     
16   C        15.0949   20.3543   -5.2522  C     
17   C        16.6028   20.3112   -5.6021  C     
18   C        17.2205   14.4695   -5.9605  C     
19   C        16.4436   15.7969   -5.9802  C     
20   C        15.1448   14.2541   -4.7169  C     
21   C        16.1594   13.4370   -5.5554  C     
22   N        15.2525   15.6075   -5.2009  N     
23   C        15.4038   14.1801   -3.2568  C     
24   O        16.6621   14.3816   -2.7837  O     
25   O        14.3643   13.9595   -2.4041  O     
26   C        14.4169   13.8252   -0.9781  C     
27   C        13.9248   15.0474   -0.2968  C     
28   C        13.1191   17.3740    1.1037  C     
29   C        14.2268   17.4204    0.2440  C     
30   C        14.6309   16.2615   -0.4484  C     
31   C        12.7941   15.0201    0.5531  C     
32   C        12.4017   16.1765    1.2566  C     
33   C         6.4751   18.8274   -9.5752  C     
34   C         5.3836   19.2485  -10.3782  C     
35   C         4.9971   18.4980  -11.5055  C     
36   C         5.6980   17.3321  -11.8475  C     
37   C         6.8001   16.9197  -11.0833  C     
38   C         7.1836   17.6588   -9.9530  C     
39   H         5.9409   19.5879   -7.6845  H     
40   H         6.9831   20.6629   -8.6167  H     
41   H        10.3801   18.9262   -6.1868  H     
42   H        11.3069   17.7533   -8.9808  H     
43   H        12.6516   18.9785   -6.1408  H     
44   H        15.1064   17.9634   -6.3199  H     
45   H        13.5117   19.3637   -4.2055  H     
46   H        14.7358   17.9808   -2.6888  H     
47   H        15.3500   19.6323   -2.6133  H     
48   H        16.2897   18.3857   -3.4652  H     
49   H         7.7499   18.6511   -6.7866  H     
50   H        14.5432   20.5403   -6.1814  H     
51   H        14.9247   21.2205   -4.6047  H     
52   H        17.2050   20.1849   -4.7011  H     
53   H        16.8921   21.2420   -6.0899  H     
54   H        16.8229   19.4955   -6.2880  H     
55   H        17.6611   14.2425   -6.9389  H     
56   H        18.0200   14.5052   -5.2110  H     
57   H        17.0572   16.5917   -5.5612  H     
58   H        16.1823   16.0424   -7.0046  H     
59   H        14.1444   13.8522   -4.9283  H     
60   H        15.6754   13.0495   -6.4583  H     
61   H        16.6045   12.5936   -5.0132  H     
62   H        13.8206   12.9482   -0.7217  H     
63   H        15.4384   13.6208   -0.6458  H     
64   H        12.8370   18.2070    1.6157  H     
65   H        14.7558   18.2868    0.1339  H     
66   H        15.4561   16.3103   -1.0520  H     
67   H        12.2643   14.1552    0.6835  H     
68   H        11.6016   16.1367    1.8922  H     
69   H         4.8669   20.0971  -10.1369  H     
70   H         4.2001   18.8005  -12.0606  H     
71   H         5.4020   16.7781  -12.6530  H     
72   H         7.3105   16.0721  -11.3374  H     
73   H         7.9743   17.3176   -9.4054  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   33 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   26   27 1
    30   27   30 2
    31   27   31 1
    32   28   29 2
    33   28   32 1
    34   29   30 1
    35   31   32 2
    36   33   34 2
    37   33   38 1
    38   34   35 1
    39   35   36 2
    40   36   37 1
    41   37   38 2
    42    1   39 1
    43    1   40 1
    44    4   41 1
    45    5   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   13   46 1
    50   13   47 1
    51   13   48 1
    52   15   49 1
    53   16   50 1
    54   16   51 1
    55   17   52 1
    56   17   53 1
    57   17   54 1
    58   18   55 1
    59   18   56 1
    60   19   57 1
    61   19   58 1
    62   20   59 1
    63   21   60 1
    64   21   61 1
    65   26   62 1
    66   26   63 1
    67   28   64 1
    68   29   65 1
    69   30   66 1
    70   31   67 1
    71   32   68 1
    72   34   69 1
    73   35   70 1
    74   36   71 1
    75   37   72 1
    76   38   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0694
  Crash		| -2.3321
  Polar		| 1.1031
  FragIndex	| 1
  FragRMSD	| 1.027