@<TRIPOS>MOLECULE
BindingDB_16505
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.7775   17.7925   -4.1329  C     
2    C        13.6321   17.8520   -6.3146  C     
3    O        14.6636   17.7576   -6.9746  O     
4    C        12.3786   18.2005   -6.9532  C     
5    C        11.7147   17.3246   -8.0013  C     
6    C        10.2831   17.4296   -8.1540  C     
7    O         9.7597   18.5225   -8.3906  O     
8    N         9.5654   16.3113   -8.0415  N     
9    C         8.1376   16.0731   -8.1692  C     
10   C         7.3681   17.2644   -8.5537  C     
11   O         7.4789   18.2253   -7.8044  O     
12   C         7.5479   15.2406   -6.9459  C     
13   C         8.3774   13.9699   -6.5859  C     
14   O        12.4720   18.4948   -8.3544  O     
15   N        13.6400   17.8325   -4.9898  N     
16   C         7.2198   16.0698   -5.6510  C     
17   C         6.1665   15.4540   -4.6846  C     
18   C         5.4904   16.9260  -11.7251  C     
19   C         6.4308   16.3490  -10.6523  C     
20   C         6.0591   18.6485  -10.1298  C     
21   C         5.7468   18.4315  -11.6306  C     
22   N         6.6427   17.4026   -9.6922  N     
23   C         4.8426   19.0546   -9.3773  C     
24   O         4.3594   20.3041   -9.5682  O     
25   O         4.2487   18.2084   -8.4990  O     
26   C         3.1070   18.4745   -7.6726  C     
27   C         3.5952   18.7782   -6.3130  C     
28   C         4.7011   19.2573   -3.7485  C     
29   C         5.1481   20.0011   -4.8550  C     
30   C         4.5868   19.7705   -6.1245  C     
31   C         3.1209   18.0725   -5.1805  C     
32   C         3.6762   18.3053   -3.9097  C     
33   C        15.5665   19.0550   -4.1495  C     
34   C        14.9031   20.3061   -4.2127  C     
35   C        15.6284   21.5120   -4.2072  C     
36   C        17.0333   21.4849   -4.1099  C     
37   C        17.7092   20.2510   -4.0510  C     
38   C        16.9780   19.0466   -4.0826  C     
39   H        14.4229   17.6422   -3.1185  H     
40   H        15.3989   16.9294   -4.3963  H     
41   H        11.7442   18.9352   -6.4554  H     
42   H        12.2218   16.4115   -8.3288  H     
43   H        10.1017   15.5135   -7.9146  H     
44   H         8.1290   15.3683   -9.0028  H     
45   H         6.5744   14.8549   -7.2752  H     
46   H         8.4548   13.3121   -7.4531  H     
47   H         7.8964   13.3817   -5.7991  H     
48   H         9.3776   14.2488   -6.2508  H     
49   H        12.7854   17.9517   -4.5423  H     
50   H         8.1364   16.2354   -5.0746  H     
51   H         6.8314   17.0455   -5.9463  H     
52   H         5.2510   15.1885   -5.2209  H     
53   H         5.9122   16.1737   -3.8909  H     
54   H         6.5552   14.5535   -4.2035  H     
55   H         5.7085   16.5336  -12.7202  H     
56   H         4.4463   16.7123  -11.4760  H     
57   H         5.9648   15.4737  -10.1890  H     
58   H         7.3805   16.0561  -11.1162  H     
59   H         6.7949   19.4522  -10.0406  H     
60   H         6.6232   18.6952  -12.2275  H     
61   H         4.8933   19.0071  -11.9982  H     
62   H         2.5275   19.3205   -8.0442  H     
63   H         2.4620   17.5963   -7.6824  H     
64   H         5.1173   19.4223   -2.8277  H     
65   H         5.8819   20.7074   -4.7379  H     
66   H         4.9312   20.3064   -6.9215  H     
67   H         2.3881   17.3674   -5.2724  H     
68   H         3.3316   17.7865   -3.0969  H     
69   H        13.8872   20.3525   -4.2747  H     
70   H        15.1372   22.4077   -4.2696  H     
71   H        17.5569   22.3617   -4.0702  H     
72   H        18.7332   20.2344   -3.9844  H     
73   H        17.4945   18.1640   -4.0307  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   33 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   26 1
    29   26   27 1
    30   27   30 2
    31   27   31 1
    32   28   29 2
    33   28   32 1
    34   29   30 1
    35   31   32 2
    36   33   34 2
    37   33   38 1
    38   34   35 1
    39   35   36 2
    40   36   37 1
    41   37   38 2
    42    1   39 1
    43    1   40 1
    44    4   41 1
    45    5   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   13   46 1
    50   13   47 1
    51   13   48 1
    52   15   49 1
    53   16   50 1
    54   16   51 1
    55   17   52 1
    56   17   53 1
    57   17   54 1
    58   18   55 1
    59   18   56 1
    60   19   57 1
    61   19   58 1
    62   20   59 1
    63   21   60 1
    64   21   61 1
    65   26   62 1
    66   26   63 1
    67   28   64 1
    68   29   65 1
    69   30   66 1
    70   31   67 1
    71   32   68 1
    72   34   69 1
    73   35   70 1
    74   36   71 1
    75   37   72 1
    76   38   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8594
  Crash		| -3.3948
  Polar		| 2.4872
  FragIndex	| 1
  FragRMSD	| 1.012