@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.4737   19.4371   -8.1030  C     
2    C         8.8130   18.7378   -8.1452  C     
3    O         9.1504   19.5924   -8.9537  O     
4    C         9.8262   17.8757   -7.6166  C     
5    C        11.1570   17.7641   -8.3308  C     
6    C        12.3073   17.2655   -7.6332  C     
7    O        12.7462   16.1701   -7.9640  O     
8    N        12.8831   18.0246   -6.7056  N     
9    C        14.0902   17.7325   -5.9737  C     
10   C        14.0205   16.4332   -5.2834  C     
11   O        12.9752   16.1900   -4.6913  O     
12   C        14.4872   18.9525   -5.0329  C     
13   C        14.8818   18.5821   -3.5738  C     
14   O        10.1292   16.7791   -8.4988  O     
15   N         7.5670   18.6150   -7.7122  N     
16   C        15.5990   19.8244   -5.7082  C     
17   C        16.3024   20.8674   -4.8060  C     
18   C        17.1816   14.5069   -5.4043  C     
19   C        16.3109   15.6990   -5.8362  C     
20   C        14.9338   14.2815   -4.5032  C     
21   C        16.1540   13.4560   -4.9632  C     
22   N        15.0242   15.5358   -5.2114  N     
23   C        14.8781   14.5158   -3.0380  C     
24   O        15.9977   14.8819   -2.3576  O     
25   O        13.6771   14.4256   -2.4114  O     
26   C         5.8397   18.9191   -9.4159  C     
27   C         5.1473   20.0504  -10.2031  C     
28   C        13.4049   14.6811   -1.0289  C     
29   C        12.0332   14.3142   -0.6112  C     
30   C         9.4263   13.6498    0.2918  C     
31   C        10.4174   14.0214    1.2146  C     
32   C        11.7099   14.3539    0.7663  C     
33   C        11.0242   13.9374   -1.5325  C     
34   C         9.7310   13.6060   -1.0843  C     
35   H         5.7272   19.4133   -7.3082  H     
36   H         6.7887   20.4769   -8.2290  H     
37   H         9.7652   17.5591   -6.5715  H     
38   H        11.3148   18.3513   -9.2367  H     
39   H        12.4787   18.8996   -6.5679  H     
40   H        14.8405   17.6423   -6.7579  H     
41   H        13.6076   19.6008   -4.9316  H     
42   H        14.1038   17.9735   -3.1120  H     
43   H        14.9867   19.4785   -2.9612  H     
44   H        15.8198   18.0284   -3.5464  H     
45   H         7.3787   17.8915   -7.0966  H     
46   H        16.3693   19.1662   -6.1151  H     
47   H        15.1551   20.3729   -6.5464  H     
48   H        15.5687   21.4931   -4.2898  H     
49   H        16.9354   21.5110   -5.4208  H     
50   H        16.9405   20.3821   -4.0656  H     
51   H        17.8136   14.1457   -6.2175  H     
52   H        17.8118   14.7869   -4.5594  H     
53   H        16.7889   16.6299   -5.5274  H     
54   H        16.2004   15.6977   -6.9238  H     
55   H        14.0327   13.7441   -4.8130  H     
56   H        15.8861   12.8353   -5.8242  H     
57   H        16.5580   12.8029   -4.1800  H     
58   H         6.6080   18.4646  -10.0516  H     
59   H         5.1045   18.1411   -9.1762  H     
60   H         4.4648   20.5951   -9.5484  H     
61   H         4.5795   19.6318  -11.0348  H     
62   H         5.8915   20.7443  -10.5966  H     
63   H        14.1227   14.1137   -0.4358  H     
64   H        13.5604   15.7479   -0.8308  H     
65   H         8.4820   13.4180    0.6144  H     
66   H        10.1994   14.0510    2.2145  H     
67   H        12.4175   14.6218    1.4551  H     
68   H        11.2181   13.8978   -2.5330  H     
69   H         9.0084   13.3349   -1.7544  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6022
  Crash		| -1.6269
  Polar		| 1.2021
  FragIndex	| 1
  FragRMSD	| 1.102