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


@<TRIPOS>ATOM
1    C         7.4627   19.7776   -6.7894  C     
2    C         9.6834   18.9957   -7.5618  C     
3    O         9.7520   19.7089   -8.5590  O     
4    C        10.7740   18.1293   -7.2083  C     
5    C        12.0402   17.9094   -8.0365  C     
6    C        13.2110   17.3985   -7.3462  C     
7    O        13.2733   16.1881   -7.1615  O     
8    N        14.1025   18.2313   -6.8062  N     
9    C        15.1688   17.9329   -5.8599  C     
10   C        15.1528   16.5634   -5.2975  C     
11   O        14.0821   16.2106   -4.7756  O     
12   C        15.2452   19.0552   -4.7533  C     
13   C        15.6822   18.5024   -3.3570  C     
14   O        10.9097   17.0237   -8.1091  O     
15   N         8.6473   18.9886   -6.7406  N     
16   C        16.2177   20.2092   -5.1824  C     
17   C        16.2269   21.4467   -4.2487  C     
18   C        18.3790   14.8042   -5.1902  C     
19   C        17.4940   15.9519   -5.7090  C     
20   C        16.0450   14.3356   -4.7234  C     
21   C        17.4047   13.6484   -4.9792  C     
22   N        16.1740   15.6806   -5.2335  N     
23   C        15.6395   14.2774   -3.2978  C     
24   O        14.4653   13.6716   -2.9827  O     
25   O        16.4137   14.8246   -2.3229  O     
26   C         6.7256   19.7642   -5.4280  C     
27   C         7.4375   20.5833   -4.3256  C     
28   C        16.1234   14.8761   -0.9171  C     
29   C        15.9687   16.2873   -0.4901  C     
30   C        15.7089   18.9894    0.3339  C     
31   C        14.6386   18.0965    0.5036  C     
32   C        14.7663   16.7513    0.1030  C     
33   C        17.0404   17.2002   -0.6489  C     
34   C        16.9148   18.5358   -0.2379  C     
35   H         7.7518   20.7982   -7.0301  H     
36   H         6.7916   19.4405   -7.5775  H     
37   H        10.7903   17.7562   -6.1773  H     
38   H        12.1588   18.5447   -8.9189  H     
39   H        13.9201   19.1749   -6.9727  H     
40   H        16.0719   18.0457   -6.4599  H     
41   H        14.2539   19.4959   -4.6235  H     
42   H        15.0081   17.7234   -3.0102  H     
43   H        15.6857   19.2660   -2.5780  H     
44   H        16.6837   18.0754   -3.4121  H     
45   H         8.7008   18.3660   -5.9972  H     
46   H        17.2392   19.8205   -5.2433  H     
47   H        15.9515   20.5715   -6.1784  H     
48   H        15.2433   21.9346   -4.2663  H     
49   H        16.9801   22.1680   -4.5922  H     
50   H        16.4707   21.1737   -3.2141  H     
51   H        19.1779   14.5492   -5.8925  H     
52   H        18.8284   15.0810   -4.2342  H     
53   H        17.8761   16.8982   -5.3164  H     
54   H        17.5086   15.9830   -6.8065  H     
55   H        15.2911   13.8101   -5.3289  H     
56   H        17.3717   13.0307   -5.8834  H     
57   H        17.7451   13.0123   -4.1564  H     
58   H         5.7229   20.1781   -5.5754  H     
59   H         6.6243   18.7225   -5.1029  H     
60   H         8.4207   20.1630   -4.0991  H     
61   H         6.8372   20.5584   -3.4141  H     
62   H         7.5568   21.6258   -4.6310  H     
63   H        15.2206   14.3063   -0.6718  H     
64   H        16.9437   14.4067   -0.3709  H     
65   H        15.6333   19.9585    0.6515  H     
66   H        13.7570   18.4336    0.8994  H     
67   H        13.9675   16.1222    0.2212  H     
68   H        17.9288   16.8807   -1.0467  H     
69   H        17.7007   19.1806   -0.3550  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	| 4.9970
  Crash		| -1.3121
  Polar		| 1.6116
  FragIndex	| 1
  FragRMSD	| 0.724