@<TRIPOS>MOLECULE
BindingDB_15819
 84 85 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.3202   28.7418   21.0213  C     
2    C        35.1126   29.1056   19.8914  C     
3    C        34.6214   30.0867   18.9981  C     
4    C        32.6106   30.3697   20.3155  C     
5    C        33.0875   29.4175   21.2248  C     
6    N        34.6437   27.7104   21.9063  N     
7    C        34.9086   27.9739   23.2065  C     
8    O        34.8657   27.0852   24.0487  O     
9    C        35.2784   29.2197   23.6923  C     
10   O        36.4615   29.7700   23.3234  O     
11   O        34.5870   29.8527   24.6758  O     
12   C        34.3827   26.4079   21.4898  C     
13   C        34.9718   24.0609   21.0405  C     
14   C        33.6639   23.7990   20.6112  C     
15   C        32.7092   24.8173   20.6246  C     
16   C        33.0673   26.1003   21.0599  C     
17   C        35.3587   25.3538   21.5003  C     
18   C        36.7125   25.5159   21.9163  C     
19   O        37.6331   24.5353   21.7896  O     
20   O        37.1975   26.6771   22.4295  O     
21   C        36.4459   28.5143   19.5812  C     
22   C        37.6306   29.3929   20.0536  C     
23   C        33.3534   30.6949   19.1614  C     
24   C        32.8768   31.6361   18.1023  C     
25   C        31.4459   32.2667   18.1950  C     
26   N        31.1693   33.2981   17.2305  N     
27   C        31.6669   33.4987   16.0192  C     
28   C        31.1719   34.6294   15.2669  C     
29   O        32.5064   32.7525   15.5320  O     
30   C        30.3553   31.3123   18.1421  C     
31   O        30.4383   30.3254   17.4090  O     
32   N        29.2406   31.5445   18.8355  N     
33   C        28.0650   30.7434   18.8427  C     
34   C        27.0636   31.2151   19.9315  C     
35   C        27.5060   30.8625   21.3780  C     
36   C        26.5121   31.3169   22.4832  C     
37   C        25.2777   30.5404   22.5452  C     
38   O        25.3208   29.4123   23.0184  O     
39   N        24.1256   31.0789   22.1664  N     
40   C        22.8114   30.5098   22.3467  C     
41   C        22.5503   29.4191   21.3721  C     
42   O        22.3720   29.6870   20.0560  O     
43   O        22.3993   28.1407   21.7745  O     
44   C        21.7205   31.6161   22.2459  C     
45   C        21.8324   32.7532   23.2959  C     
46   S        21.1985   32.3365   24.9413  S     
47   C        19.4239   32.3758   24.5933  C     
48   H        35.1875   30.3497   18.1842  H     
49   H        31.7136   30.8152   20.5034  H     
50   H        32.5010   29.1853   22.0318  H     
51   H        35.6402   23.2850   21.0136  H     
52   H        33.4146   22.8588   20.2920  H     
53   H        31.7506   24.6212   20.3181  H     
54   H        32.3400   26.8168   21.0645  H     
55   H        36.5533   27.5248   20.0268  H     
56   H        36.5374   28.3634   18.5010  H     
57   H        37.5496   30.3993   19.6401  H     
58   H        38.5695   28.9527   19.7189  H     
59   H        37.6423   29.4579   21.1472  H     
60   H        33.6005   32.4523   18.0702  H     
61   H        32.9483   31.1149   17.1470  H     
62   H        31.4171   32.7895   19.1506  H     
63   H        30.4791   33.9319   17.4974  H     
64   H        30.1062   34.5120   15.0768  H     
65   H        31.6887   34.7227   14.3067  H     
66   H        31.3315   35.5483   15.8284  H     
67   H        29.2294   32.3472   19.3803  H     
68   H        27.5747   30.8227   17.8685  H     
69   H        28.3192   29.6964   19.0137  H     
70   H        26.9427   32.3031   19.8499  H     
71   H        26.0918   30.7586   19.7323  H     
72   H        27.6639   29.7799   21.4558  H     
73   H        28.4696   31.3386   21.5804  H     
74   H        27.0096   31.2204   23.4487  H     
75   H        26.2955   32.3781   22.3430  H     
76   H        24.1647   31.9679   21.7875  H     
77   H        22.7561   30.0796   23.3549  H     
78   H        21.7680   32.0634   21.2482  H     
79   H        20.7226   31.1619   22.3415  H     
80   H        22.8840   33.0232   23.4166  H     
81   H        21.3126   33.6411   22.9322  H     
82   H        19.1511   33.3215   24.1211  H     
83   H        18.8754   32.2816   25.5280  H     
84   H        19.1540   31.5491   23.9370  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    2   21 1
     6    3   23 2
     7    4    5 2
     8    4   23 1
     9    6    7 am
    10    6   12 1
    11    7    8 2
    12    7    9 1
    13    9   10 2
    14    9   11 1
    15   12   16 2
    16   12   17 1
    17   13   14 1
    18   13   17 2
    19   14   15 2
    20   15   16 1
    21   17   18 1
    22   18   19 2
    23   18   20 1
    24   21   22 1
    25   23   24 1
    26   24   25 1
    27   25   26 1
    28   25   30 1
    29   26   27 am
    30   27   28 1
    31   27   29 2
    32   30   31 2
    33   30   32 am
    34   32   33 1
    35   33   34 1
    36   34   35 1
    37   35   36 1
    38   36   37 1
    39   37   38 2
    40   37   39 am
    41   39   40 1
    42   40   41 1
    43   40   44 1
    44   41   42 2
    45   41   43 1
    46   44   45 1
    47   45   46 1
    48   46   47 1
    49    3   48 1
    50    4   49 1
    51    5   50 1
    52   13   51 1
    53   14   52 1
    54   15   53 1
    55   16   54 1
    56   21   55 1
    57   21   56 1
    58   22   57 1
    59   22   58 1
    60   22   59 1
    61   24   60 1
    62   24   61 1
    63   25   62 1
    64   26   63 1
    65   28   64 1
    66   28   65 1
    67   28   66 1
    68   32   67 1
    69   33   68 1
    70   33   69 1
    71   34   70 1
    72   34   71 1
    73   35   72 1
    74   35   73 1
    75   36   74 1
    76   36   75 1
    77   39   76 1
    78   40   77 1
    79   44   78 1
    80   44   79 1
    81   45   80 1
    82   45   81 1
    83   47   82 1
    84   47   83 1
    85   47   84 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 20.2074
  Crash		| -2.4156
  Polar		| 16.9261
  FragIndex	| 1
  FragRMSD	| 0.672