@<TRIPOS>MOLECULE
BindingDB_14695
 78 81 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.9553   15.5941   21.8684  C     
2    C        18.8331   15.1993   22.6419  C     
3    C        18.1323   14.0216   22.3372  C     
4    C        18.5291   13.2208   21.2523  C     
5    C        19.6455   13.5954   20.4798  C     
6    C        20.3561   14.7640   20.7950  C     
7    C        20.6514   16.8027   22.1509  C     
8    C        22.0743   19.2187   22.7022  C     
9    C        21.9025   18.2322   23.6995  C     
10   C        21.1952   17.0486   23.4334  C     
11   C        20.8267   17.7896   21.1507  C     
12   C        21.5243   18.9792   21.4211  C     
13   C        22.8154   20.4701   23.0045  C     
14   C        20.9928   21.0067   26.0554  C     
15   C        22.2258   21.4639   25.2298  C     
16   C        21.0834   22.1856   23.1855  C     
17   C        19.2467   22.5401   24.8565  C     
18   C        19.8752   22.0666   26.1944  C     
19   N        22.0034   21.4035   23.7897  N     
20   O        20.9005   22.0678   21.9791  O     
21   C        20.2595   23.1979   23.8761  C     
22   N        19.5314   24.0266   22.9497  N     
23   C        19.8275   25.2723   22.5895  C     
24   O        20.8022   25.8549   23.0495  O     
25   C        19.0580   25.9014   21.5242  C     
26   N        19.0510   27.3409   21.6098  N     
27   C        18.5023   28.0665   22.5765  C     
28   C        18.6238   29.5010   22.5244  C     
29   O        17.9191   27.5499   23.5200  O     
30   C        19.6108   25.4359   20.1344  C     
31   C        18.6826   25.7371   19.0089  C     
32   C        16.5306   25.3475   17.9079  C     
33   C        17.4808   25.0098   18.8837  C     
34   C        18.9598   26.7266   18.0327  C     
35   C        18.0223   27.0638   17.0216  C     
36   C        16.7487   26.4454   17.0339  C     
37   C        14.7133   27.6286   16.7254  C     
38   O        15.7594   26.8189   16.1569  O     
39   C        15.1677   28.7796   17.5193  C     
40   O        14.2925   29.7700   17.7822  O     
41   O        16.2909   28.6953   18.2794  O     
42   P        18.3519   28.2133   15.9391  P     
43   O        17.5896   28.0903   14.7177  O     
44   O        17.9975   29.5944   16.5188  O     
45   O        19.8419   28.2781   15.5564  O     
46   H        18.5074   15.7795   23.4187  H     
47   H        17.3226   13.7462   22.8970  H     
48   H        18.0116   12.3702   21.0233  H     
49   H        19.9363   13.0167   19.6913  H     
50   H        21.1733   15.0059   20.2273  H     
51   H        22.3083   18.3630   24.6294  H     
52   H        21.1034   16.3525   24.1813  H     
53   H        20.4348   17.6544   20.2131  H     
54   H        21.6247   19.6723   20.6753  H     
55   H        23.7427   20.1888   23.5126  H     
56   H        23.1547   20.9565   22.0834  H     
57   H        20.5677   20.1029   25.6147  H     
58   H        21.3284   20.7465   27.0633  H     
59   H        22.5207   22.4753   25.5185  H     
60   H        23.0587   20.8233   25.5357  H     
61   H        18.7471   21.6961   24.3708  H     
62   H        18.4691   23.2670   25.1136  H     
63   H        19.0828   21.6304   26.8072  H     
64   H        20.2661   22.9334   26.7345  H     
65   H        20.9310   23.8345   24.4557  H     
66   H        18.7966   23.6043   22.4781  H     
67   H        18.0211   25.5667   21.6080  H     
68   H        19.4719   27.8308   20.8871  H     
69   H        19.6748   29.7827   22.4743  H     
70   H        18.1862   29.9767   23.4033  H     
71   H        18.1101   29.8757   21.6387  H     
72   H        20.5838   25.9093   19.9642  H     
73   H        19.7813   24.3522   20.1365  H     
74   H        15.6467   24.8333   17.8752  H     
75   H        17.2623   24.2491   19.5266  H     
76   H        19.8491   27.2197   18.0765  H     
77   H        14.1275   28.0120   15.8914  H     
78   H        14.0422   27.0219   17.3334  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   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   42 1
    41   36   38 1
    42   37   38 1
    43   37   39 1
    44   39   40 2
    45   39   41 1
    46   42   43 2
    47   42   44 1
    48   42   45 1
    49    2   46 1
    50    3   47 1
    51    4   48 1
    52    5   49 1
    53    6   50 1
    54    9   51 1
    55   10   52 1
    56   11   53 1
    57   12   54 1
    58   13   55 1
    59   13   56 1
    60   14   57 1
    61   14   58 1
    62   15   59 1
    63   15   60 1
    64   17   61 1
    65   17   62 1
    66   18   63 1
    67   18   64 1
    68   21   65 1
    69   22   66 1
    70   25   67 1
    71   26   68 1
    72   28   69 1
    73   28   70 1
    74   28   71 1
    75   30   72 1
    76   30   73 1
    77   32   74 1
    78   33   75 1
    79   34   76 1
    80   37   77 1
    81   37   78 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1969
  Crash		| -3.9381
  Polar		| 6.2557
  FragIndex	| 1
  FragRMSD	| 0.364