@<TRIPOS>MOLECULE
BindingDB_50042430
 80 82 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.0206   14.7181   -2.8895  C     
2    C        16.2634   15.2028   -3.1360  C     
3    N        16.6187   16.0189   -4.1566  N     
4    C        11.8953   14.8575   -3.5151  C     
5    N        12.8421   15.7091   -3.1241  N     
6    C         9.3538   17.1848   -4.0524  C     
7    C        13.9555   15.4849   -2.2348  C     
8    C        10.9259   15.2563   -4.5433  C     
9    N         9.8950   15.9738   -3.8320  N     
10   O        14.8327   13.5354   -3.1489  O     
11   C        18.0275   16.1974   -4.5016  C     
12   C        15.6478   16.6943   -5.0144  C     
13   O        17.1124   14.7598   -2.3683  O     
14   O        11.8262   13.7287   -3.0315  O     
15   O         8.4746   17.6397   -3.1181  O     
16   O         9.7164   17.9934   -5.0696  O     
17   C        11.6535   15.8942   -5.7960  C     
18   C         9.3474   19.3695   -5.2652  C     
19   C        15.5980   18.1775   -4.8724  C     
20   C        18.5726   15.0153   -5.2385  C     
21   C         7.8903   19.5420   -5.4838  C     
22   C        13.4806   14.8916   -0.8702  C     
23   C        11.0851   15.4681   -7.2026  C     
24   C        15.4013   18.7749   -3.6034  C     
25   C        15.6724   19.0347   -6.0043  C     
26   C        18.5757   15.0015   -6.6558  C     
27   C        19.0935   13.8891   -4.5537  C     
28   C         7.3424   19.3523   -6.7746  C     
29   C         7.0400   19.9451   -4.4349  C     
30   C         9.9143   16.3695   -7.6923  C     
31   C        12.1970   15.4008   -8.2841  C     
32   C        14.0160   15.6602    0.3621  C     
33   C         5.9692   19.5545   -7.0062  C     
34   C        15.5622   20.4301   -5.8596  C     
35   C        15.2919   20.1649   -3.4613  C     
36   C        19.0954   13.9054   -7.3669  C     
37   C        19.5931   12.7831   -5.2635  C     
38   C         5.6661   20.1439   -4.6678  C     
39   C        19.6021   12.7955   -6.6720  C     
40   C        15.3669   21.0032   -4.5880  C     
41   C         5.1270   19.9423   -5.9575  C     
42   H        12.8068   16.5925   -3.5352  H     
43   H        14.3385   16.4825   -2.0147  H     
44   H        10.4278   14.3413   -4.8869  H     
45   H         9.5065   15.4979   -3.0857  H     
46   H        18.1795   17.0901   -5.1179  H     
47   H        18.6205   16.3869   -3.6014  H     
48   H        15.8389   16.4159   -6.0542  H     
49   H        14.6344   16.3658   -4.8085  H     
50   H        11.7357   16.9945   -5.6875  H     
51   H        12.6883   15.5368   -5.8133  H     
52   H         9.7103   19.9346   -4.4082  H     
53   H         9.8745   19.7299   -6.1412  H     
54   H        12.3843   14.9309   -0.8235  H     
55   H        13.7756   13.8417   -0.7710  H     
56   H        10.6886   14.4509   -7.1016  H     
57   H        15.3531   18.1935   -2.7630  H     
58   H        15.7943   18.6430   -6.9371  H     
59   H        18.2045   15.7937   -7.1775  H     
60   H        19.1241   13.8723   -3.5327  H     
61   H         7.9342   19.0606   -7.5550  H     
62   H         7.4063   20.0732   -3.4826  H     
63   H         9.1198   16.4091   -6.9394  H     
64   H         9.4819   15.9488   -8.6150  H     
65   H        10.2784   17.3818   -7.9049  H     
66   H        12.6362   16.3885   -8.4752  H     
67   H        11.8108   15.0000   -9.2290  H     
68   H        12.9952   14.7309   -7.9559  H     
69   H        15.1110   15.6129    0.3898  H     
70   H        13.6208   15.2085    1.2806  H     
71   H        13.6985   16.7078    0.3247  H     
72   H         5.5873   19.4126   -7.9484  H     
73   H        15.6180   21.0342   -6.6810  H     
74   H        15.1542   20.5787   -2.5321  H     
75   H        19.0992   13.9204   -8.3907  H     
76   H        19.9507   11.9667   -4.7606  H     
77   H         5.0557   20.4194   -3.9010  H     
78   H        19.9654   11.9967   -7.1885  H     
79   H        15.2797   22.0124   -4.4791  H     
80   H         4.1303   20.0884   -6.1278  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   10 2
     4    2    3 am
     5    2   13 2
     6    3   11 1
     7    3   12 1
     8    4    5 am
     9    4    8 1
    10    4   14 2
    11    5    7 1
    12    6    9 am
    13    6   15 2
    14    6   16 1
    15    7   22 1
    16    8    9 1
    17    8   17 1
    18   11   20 1
    19   12   19 1
    20   16   18 1
    21   17   23 1
    22   18   21 1
    23   19   24 2
    24   19   25 1
    25   20   26 2
    26   20   27 1
    27   21   28 1
    28   21   29 2
    29   22   32 1
    30   23   30 1
    31   23   31 1
    32   24   35 1
    33   25   34 2
    34   26   36 1
    35   27   37 2
    36   28   33 2
    37   29   38 1
    38   33   41 1
    39   34   40 1
    40   35   40 2
    41   36   39 2
    42   37   39 1
    43   38   41 2
    44    5   42 1
    45    7   43 1
    46    8   44 1
    47    9   45 1
    48   11   46 1
    49   11   47 1
    50   12   48 1
    51   12   49 1
    52   17   50 1
    53   17   51 1
    54   18   52 1
    55   18   53 1
    56   22   54 1
    57   22   55 1
    58   23   56 1
    59   24   57 1
    60   25   58 1
    61   26   59 1
    62   27   60 1
    63   28   61 1
    64   29   62 1
    65   30   63 1
    66   30   64 1
    67   30   65 1
    68   31   66 1
    69   31   67 1
    70   31   68 1
    71   32   69 1
    72   32   70 1
    73   32   71 1
    74   33   72 1
    75   34   73 1
    76   35   74 1
    77   36   75 1
    78   37   76 1
    79   38   77 1
    80   39   78 1
    81   40   79 1
    82   41   80 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9488
  Crash		| -2.3555
  Polar		| 1.1013
  FragIndex	| 1
  FragRMSD	| 1.128