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


@<TRIPOS>ATOM
1    C        16.4491   16.0156   -5.5545  C     
2    C        14.2646   16.8771   -6.3109  C     
3    O        14.7443   17.7563   -7.0135  O     
4    C        12.8460   16.6256   -6.3959  C     
5    C        11.8467   17.7718   -6.3533  C     
6    C        10.4971   17.6112   -6.8317  C     
7    O        10.3000   17.0681   -7.9117  O     
8    N         9.5143   18.1845   -6.1425  N     
9    C         8.1009   18.2141   -6.4670  C     
10   C         7.8088   19.0211   -7.6834  C     
11   O         8.7864   19.4914   -8.2634  O     
12   C         7.3251   18.6065   -5.1510  C     
13   C         7.7438   17.7477   -3.9126  C     
14   O        12.1250   16.9603   -5.2020  O     
15   N        15.0153   16.0457   -5.6018  N     
16   C         7.3805   20.1339   -4.8159  C     
17   C         6.0763   20.6871   -4.1964  C     
18   C         5.0197   20.0625   -9.8787  C     
19   C         6.5032   19.9508   -9.5052  C     
20   C         5.2953   19.0047   -7.7098  C     
21   C         4.3143   19.8746   -8.5326  C     
22   N         6.6051   19.2908   -8.2327  N     
23   C         4.9414   17.5749   -7.7825  C     
24   O         4.2153   17.0195   -6.7837  O     
25   O         5.3250   16.8452   -8.8601  O     
26   C         5.1240   15.4428   -9.0603  C     
27   C         6.0556   14.9722  -10.1092  C     
28   C         7.8203   14.0755  -12.1362  C     
29   C         8.1297   13.8502  -10.7839  C     
30   C         7.2524   14.2955   -9.7754  C     
31   C         5.7615   15.2009  -11.4743  C     
32   C         6.6360   14.7496  -12.4799  C     
33   C        17.0736   14.9515   -6.3939  C     
34   C        18.4411   15.0622   -6.7460  C     
35   C        19.0614   14.0922   -7.5585  C     
36   C        18.3281   12.9896   -8.0262  C     
37   C        16.9784   12.8450   -7.6653  C     
38   C        16.3605   13.8138   -6.8500  C     
39   H        16.8437   16.9925   -5.8459  H     
40   H        16.7471   15.8499   -4.5176  H     
41   H        12.5115   15.6813   -6.8305  H     
42   H        12.2377   18.7845   -6.2377  H     
43   H         9.7825   18.6276   -5.3188  H     
44   H         7.8021   17.1898   -6.7115  H     
45   H         6.2792   18.3418   -5.3206  H     
46   H         7.7105   16.6830   -4.1593  H     
47   H         7.0599   17.9238   -3.0779  H     
48   H         8.7559   17.9981   -3.5796  H     
49   H        14.5567   15.3332   -5.1300  H     
50   H         8.2060   20.3299   -4.1270  H     
51   H         7.5766   20.7249   -5.7140  H     
52   H         5.2270   20.5243   -4.8628  H     
53   H         6.1731   21.7618   -4.0299  H     
54   H         5.8740   20.1994   -3.2417  H     
55   H         4.8029   21.0374  -10.3288  H     
56   H         4.7302   19.2690  -10.5767  H     
57   H         7.0232   19.3765  -10.2764  H     
58   H         6.9367   20.9504   -9.4253  H     
59   H         5.2093   19.3348   -6.6758  H     
60   H         4.1916   20.8556   -8.0556  H     
61   H         3.3193   19.4310   -8.6579  H     
62   H         5.2960   14.9336   -8.1090  H     
63   H         4.0942   15.2482   -9.3672  H     
64   H         8.4535   13.7458  -12.8686  H     
65   H         8.9899   13.3579  -10.5316  H     
66   H         7.4950   14.1211   -8.7980  H     
67   H         4.9023   15.6872  -11.7455  H     
68   H         6.4015   14.9003  -13.4639  H     
69   H        18.9950   15.8617   -6.4267  H     
70   H        20.0471   14.1898   -7.8105  H     
71   H        18.7793   12.2889   -8.6186  H     
72   H        16.4456   12.0344   -7.9899  H     
73   H        15.3816   13.6765   -6.5950  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	| 7.8554
  Crash		| -4.0718
  Polar		| 2.4564
  FragIndex	| 1
  FragRMSD	| 1.413