@<TRIPOS>MOLECULE
BindingDB_14691
 75 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.3750   13.9751   22.2454  C     
2    C        19.0338   13.7698   22.6609  C     
3    C        18.4012   12.5301   22.4644  C     
4    C        19.0953   11.4650   21.8632  C     
5    C        20.4306   11.6422   21.4698  C     
6    C        21.0608   12.8877   21.6513  C     
7    C        21.0039   15.2474   22.3951  C     
8    C        22.2714   17.8006   22.5841  C     
9    C        20.8981   17.6966   22.2848  C     
10   C        20.2731   16.4422   22.2103  C     
11   C        22.3840   15.3539   22.6908  C     
12   C        23.0091   16.6108   22.7872  C     
13   C        22.9154   19.1438   22.6696  C     
14   C        20.9610   19.1789   25.6291  C     
15   C        22.3078   19.6604   25.0210  C     
16   C        21.4888   21.0801   23.2016  C     
17   C        19.5393   21.1991   24.7618  C     
18   C        19.9620   20.3144   25.9615  C     
19   N        22.2105   20.0138   23.6144  N     
20   O        21.3860   21.3050   21.9994  O     
21   C        20.7184   21.9645   24.0936  C     
22   N        20.1985   23.1347   23.4300  N     
23   C        20.8847   24.2328   23.1375  C     
24   O        22.0743   24.3370   23.4310  O     
25   C        20.2404   25.3050   22.3921  C     
26   N        20.5643   26.5551   23.0245  N     
27   C        19.7382   27.5337   23.3530  C     
28   C        20.2837   28.7034   23.9965  C     
29   O        18.5544   27.5089   23.0541  O     
30   C        20.7208   25.3220   20.9088  C     
31   C        19.8066   26.0711   20.0049  C     
32   C        18.1484   27.3861   18.1146  C     
33   C        17.7688   26.1424   18.6528  C     
34   C        18.5909   25.4855   19.5842  C     
35   C        20.1492   27.3554   19.5165  C     
36   C        19.3474   28.0074   18.5508  C     
37   O        17.3485   27.9074   17.1352  O     
38   P        16.5947   29.2370   17.4654  P     
39   O        16.5582   29.6048   18.8578  O     
40   O        17.2928   30.3426   16.6461  O     
41   O        15.1468   29.1147   16.9491  O     
42   C        19.7581   29.2182   18.0411  C     
43   O        20.1938   29.2725   16.8992  O     
44   H        18.5117   14.5196   23.1103  H     
45   H        17.4317   12.3937   22.7688  H     
46   H        18.6382   10.5604   21.7284  H     
47   H        20.9373   10.8688   21.0344  H     
48   H        22.0264   12.9954   21.3246  H     
49   H        20.3406   18.5385   22.1292  H     
50   H        19.2730   16.4095   21.9883  H     
51   H        22.9458   14.5168   22.8564  H     
52   H        24.0099   16.6543   22.9975  H     
53   H        23.9591   19.0676   22.9742  H     
54   H        22.9475   19.5406   21.6508  H     
55   H        20.4904   18.4681   24.9520  H     
56   H        21.1752   18.6427   26.5594  H     
57   H        22.6973   20.5046   25.5942  H     
58   H        23.0258   18.8472   25.1800  H     
59   H        19.0181   20.5874   24.0265  H     
60   H        18.8129   21.9202   25.1476  H     
61   H        19.0641   19.8621   26.3907  H     
62   H        20.4015   20.9527   26.7404  H     
63   H        21.3880   22.3277   24.8875  H     
64   H        19.2642   23.1072   23.1602  H     
65   H        19.1554   25.1454   22.3935  H     
66   H        21.5020   26.6999   23.2390  H     
67   H        20.7383   28.4184   24.9487  H     
68   H        19.5148   29.4534   24.1885  H     
69   H        21.0489   29.1491   23.3571  H     
70   H        21.7328   25.7475   20.8702  H     
71   H        20.8125   24.2937   20.5386  H     
72   H        16.9078   25.6928   18.3405  H     
73   H        18.3100   24.5642   19.9360  H     
74   H        21.0359   27.7938   19.8070  H     
75   H        19.8452   30.0264   18.6355  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   34 1
    35   31   35 2
    36   32   33 1
    37   32   36 2
    38   32   37 1
    39   33   34 2
    40   35   36 1
    41   36   42 1
    42   37   38 1
    43   38   39 2
    44   38   40 1
    45   38   41 1
    46   42   43 2
    47    2   44 1
    48    3   45 1
    49    4   46 1
    50    5   47 1
    51    6   48 1
    52    9   49 1
    53   10   50 1
    54   11   51 1
    55   12   52 1
    56   13   53 1
    57   13   54 1
    58   14   55 1
    59   14   56 1
    60   15   57 1
    61   15   58 1
    62   17   59 1
    63   17   60 1
    64   18   61 1
    65   18   62 1
    66   21   63 1
    67   22   64 1
    68   25   65 1
    69   26   66 1
    70   28   67 1
    71   28   68 1
    72   28   69 1
    73   30   70 1
    74   30   71 1
    75   33   72 1
    76   34   73 1
    77   35   74 1
    78   42   75 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6448
  Crash		| -1.6288
  Polar		| 8.6905
  FragIndex	| 1
  FragRMSD	| 1.024