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


@<TRIPOS>ATOM
1    C        15.2540   18.3432   -6.2128  C     
2    C        13.2660   18.3023   -7.6748  C     
3    O        13.7833   18.9671   -8.5603  O     
4    C        11.8959   17.8835   -7.8613  C     
5    C        10.8223   18.6319   -7.0820  C     
6    C         9.4913   18.7294   -7.6270  C     
7    O         9.3750   19.0707   -8.7951  O     
8    N         8.4436   18.4518   -6.8699  N     
9    C         7.1219   18.1682   -7.3605  C     
10   C         6.6279   19.1379   -8.3504  C     
11   O         6.6916   20.3243   -8.0381  O     
12   C         6.0949   17.9504   -6.1929  C     
13   C         6.3891   16.6179   -5.4374  C     
14   O        11.1943   17.2830   -6.7670  O     
15   N        13.9199   17.9637   -6.5746  N     
16   C         5.9749   19.1396   -5.1701  C     
17   C         4.5662   19.7900   -5.1280  C     
18   C         5.2950   17.6036  -11.4310  C     
19   C         6.0660   17.5092  -10.1043  C     
20   C         5.3115   19.7641  -10.3427  C     
21   C         5.3136   19.1016  -11.7395  C     
22   N         6.0504   18.8234   -9.5234  N     
23   C         3.9480   20.0113   -9.7884  C     
24   O         3.7801   20.3963   -8.4841  O     
25   O         2.8416   19.6679  -10.5019  O     
26   C         1.4763   19.8053  -10.0689  C     
27   C         0.7897   18.5334   -9.7073  C     
28   C        -0.6130   16.1508   -9.0853  C     
29   C         0.4953   16.1057   -9.9535  C     
30   C         1.1814   17.2961  -10.2662  C     
31   C        -0.3310   18.5544   -8.8434  C     
32   C        -1.0238   17.3753   -8.5320  C     
33   C        15.2263   19.0537   -4.9080  C     
34   C        15.6204   18.4064   -3.7153  C     
35   C        15.5926   19.0881   -2.4853  C     
36   C        15.1651   20.4283   -2.4333  C     
37   C        14.7691   21.0816   -3.6109  C     
38   C        14.7977   20.4031   -4.8407  C     
39   H        15.8468   17.4264   -6.1556  H     
40   H        15.7336   18.9848   -6.9576  H     
41   H        11.6108   17.4747   -8.8328  H     
42   H        11.0948   19.2824   -6.2530  H     
43   H         8.6113   18.2883   -5.9334  H     
44   H         7.2312   17.1983   -7.8510  H     
45   H         5.1169   17.8057   -6.6646  H     
46   H         6.4003   15.7768   -6.1333  H     
47   H         5.6290   16.4160   -4.6834  H     
48   H         7.3587   16.6602   -4.9393  H     
49   H        13.4411   17.4108   -5.9360  H     
50   H         6.2341   18.7955   -4.1633  H     
51   H         6.6803   19.9339   -5.4195  H     
52   H         4.3507   20.2910   -6.0746  H     
53   H         4.5265   20.5308   -4.3272  H     
54   H         3.8023   19.0334   -4.9404  H     
55   H         5.7611   17.0086  -12.2195  H     
56   H         4.2640   17.2687  -11.2993  H     
57   H         5.5840   16.7718   -9.4571  H     
58   H         7.0963   17.2022  -10.3063  H     
59   H         5.8284   20.7241  -10.4217  H     
60   H         6.2444   19.3490  -12.2634  H     
61   H         4.4745   19.3936  -12.3747  H     
62   H         1.4630   20.5056   -9.2323  H     
63   H         0.9345   20.2621  -10.8941  H     
64   H        -1.1243   15.2935   -8.8696  H     
65   H         0.7939   15.2189  -10.3598  H     
66   H         1.9600   17.2470  -10.9267  H     
67   H        -0.6428   19.4373   -8.4354  H     
68   H        -1.8394   17.4094   -7.9170  H     
69   H        15.9312   17.4319   -3.7303  H     
70   H        15.8627   18.6081   -1.6256  H     
71   H        15.1393   20.9200   -1.5398  H     
72   H        14.4616   22.0562   -3.5752  H     
73   H        14.5014   20.8944   -5.6874  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	| 7.9134
  Crash		| -4.2829
  Polar		| 3.3682
  FragIndex	| 1
  FragRMSD	| 0.484