@<TRIPOS>MOLECULE
BindingDB_50292721
 74 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.3982   13.6790   13.5178  C     
2    C        42.4595   12.8708   14.2936  C     
3    C        41.4168   12.2694   13.6708  C     
4    N        40.5043   11.5009   14.3406  N     
5    C        40.6394   11.3747   15.6780  C     
6    O        39.8634   10.7412   16.3804  O     
7    N        41.6551   11.9610   16.3051  N     
8    C        42.5565   12.6873   15.6538  C     
9    O        43.4504   13.1849   16.3261  O     
10   C        39.3924   10.8872   13.6284  C     
11   C        38.4079   11.9404   13.0869  C     
12   C        37.6770   11.2212   11.9360  C     
13   C        38.5801    9.9814   11.6653  C     
14   O        39.7683   10.1334   12.4667  O     
15   C        38.9961    9.7842   10.1782  C     
16   O        38.0441   10.2627    9.2068  O     
17   P        36.7558    9.4233    8.9543  P     
18   O        36.1554    8.9079   10.1595  O     
19   O        35.7183   10.3394    8.2747  O     
20   O        37.0604    8.2591    7.9890  O     
21   O        36.3539   10.7637   12.3111  O     
22   P        35.1853   11.7935   12.2729  P     
23   O        35.4208   12.8881   13.1814  O     
24   O        34.9357   12.1472   10.7795  O     
25   P        34.2180   13.4936   10.4857  P     
26   O        33.1435   13.8030   11.3987  O     
27   O        35.2830   14.6122   10.5152  O     
28   O        33.6120   13.3177    9.0649  O     
29   C        33.3865   14.5194    8.3091  C     
30   C        32.7363   14.1676    6.9496  C     
31   C        31.2132   13.9143    7.0061  C     
32   C        31.0001   13.1092    5.7113  C     
33   C        32.3229   12.3090    5.5774  C     
34   O        33.2919   12.9504    6.4261  O     
35   N        32.3122   10.9096    5.9170  N     
36   C        31.3037   10.1324    6.3770  C     
37   N        31.7227    8.8750    6.6022  N     
38   C        33.0199    8.8403    6.2804  C     
39   C        33.3938   10.1094    5.8511  C     
40   N        34.6734   10.3590    5.4671  N     
41   C        35.5995    9.3612    5.4969  C     
42   N        35.2490    8.1129    5.9142  N     
43   C        33.9816    7.8144    6.3120  C     
44   N        33.6732    6.5703    6.7128  N     
45   O        30.7959   13.9412    4.5695  O     
46   O        30.2827   15.0037    7.2137  O     
47   P        30.3518   16.3844    6.4986  P     
48   O        30.8892   17.4048    7.3586  O     
49   O        31.0833   16.4210    5.1440  O     
50   O        28.8951   16.8017    6.2145  O     
51   O        33.9300   11.0363   12.7444  O     
52   H        43.8512   13.0702   12.7331  H     
53   H        44.2044   14.0880   14.1274  H     
54   H        42.8703   14.5143   13.0544  H     
55   H        41.3159   12.4055   12.6889  H     
56   H        41.7442   11.8600   17.2653  H     
57   H        38.8568   10.1900   14.2885  H     
58   H        37.7273   12.2749   13.8739  H     
59   H        38.9509   12.8076   12.6934  H     
60   H        37.6580   11.8753   11.0525  H     
61   H        38.0751    9.0690   12.0037  H     
62   H        39.9011   10.3696   10.0054  H     
63   H        39.2679    8.7382   10.0029  H     
64   H        32.7413   15.2265    8.8416  H     
65   H        34.3479   14.9982    8.1016  H     
66   H        32.9417   14.9772    6.2339  H     
67   H        31.0223   13.2272    7.8355  H     
68   H        30.1205   12.4718    5.7839  H     
69   H        32.6759   12.3982    4.5452  H     
70   H        30.3508   10.4343    6.5799  H     
71   H        36.5595    9.5500    5.2119  H     
72   H        34.3511    5.8736    6.7127  H     
73   H        32.7665    6.3597    6.9865  H     
74   H        31.6050   14.4836    4.4819  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 2
     3    2    8 1
     4    3    4 1
     5    4    5 1
     6   10    4 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 2
    11   10   11 1
    12   10   14 1
    13   11   12 1
    14   12   13 1
    15   12   21 1
    16   13   14 1
    17   13   15 1
    18   15   16 1
    19   16   17 1
    20   17   18 2
    21   17   19 1
    22   17   20 1
    23   21   22 1
    24   22   23 2
    25   22   24 1
    26   22   51 1
    27   24   25 1
    28   25   26 2
    29   25   27 1
    30   25   28 1
    31   28   29 1
    32   30   29 1
    33   30   31 1
    34   30   34 1
    35   31   32 1
    36   31   46 1
    37   32   33 1
    38   32   45 1
    39   33   34 1
    40   33   35 1
    41   35   36 1
    42   35   39 1
    43   36   37 2
    44   37   38 1
    45   38   39 2
    46   38   43 1
    47   39   40 1
    48   40   41 2
    49   41   42 1
    50   42   43 2
    51   43   44 1
    52   46   47 1
    53   47   48 2
    54   47   49 1
    55   47   50 1
    56    1   52 1
    57    1   53 1
    58    1   54 1
    59    3   55 1
    60    7   56 1
    61   10   57 1
    62   11   58 1
    63   11   59 1
    64   12   60 1
    65   13   61 1
    66   15   62 1
    67   15   63 1
    68   29   64 1
    69   29   65 1
    70   30   66 1
    71   31   67 1
    72   32   68 1
    73   33   69 1
    74   36   70 1
    75   41   71 1
    76   44   72 1
    77   44   73 1
    78   45   74 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3800
  Crash		| -2.8664
  Polar		| 9.6269
  FragIndex	| 1
  FragRMSD	| 1.051