@<TRIPOS>MOLECULE
BindingDB_19774
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6860  -34.7318   -2.0342  C     
2    C        32.8290  -35.2930   -1.3012  C     
3    C        31.6015  -32.4079    0.0115  C     
4    C        31.6000  -33.3059   -2.3258  C     
5    O        30.6562  -35.3994   -2.1460  O     
6    N        30.9217  -32.6534   -1.2396  N     
7    C        29.3512  -30.3401   -1.9699  C     
8    C        29.3391  -28.7605   -3.7718  C     
9    C        29.2946  -29.2917   -1.0269  C     
10   C        29.2523  -27.9588   -1.4860  C     
11   C        29.2814  -27.6891   -2.8666  C     
12   N        29.3761  -30.0334   -3.2981  N     
13   S        29.3724  -32.0091   -1.4890  S     
14   O        28.5539  -32.8566   -2.5649  O     
15   O        28.4822  -32.2498   -0.1969  O     
16   N        33.9053  -35.4039   -2.2384  N     
17   C        34.7224  -36.4326   -2.4647  C     
18   O        34.5821  -37.4919   -1.8578  O     
19   C        35.8251  -36.2832   -3.4079  C     
20   C        35.4760  -36.7699   -4.8528  C     
21   C        36.6390  -36.6632   -5.9013  C     
22   C        36.3267  -37.5252   -7.1613  C     
23   C        36.9666  -35.1991   -6.3264  C     
24   N        36.9698  -37.0127   -2.9360  N     
25   C        38.1569  -36.5163   -2.6052  C     
26   O        38.3595  -35.3074   -2.5825  O     
27   C        39.1737  -37.3896   -2.2813  C     
28   C        40.4421  -37.0272   -1.8046  C     
29   O        39.1034  -38.7480   -2.3981  O     
30   C        40.2914  -39.2559   -1.9932  C     
31   C        41.1392  -38.2093   -1.6150  C     
32   C        42.4419  -38.4536   -1.1386  C     
33   C        42.8793  -39.7896   -1.0333  C     
34   C        42.0299  -40.8533   -1.4168  C     
35   C        40.7290  -40.5865   -1.9073  C     
36   C        33.2885  -34.4165   -0.0905  C     
37   C        32.1520  -33.7017    0.7140  C     
38   C        32.6416  -33.3609    2.1605  C     
39   H        32.5332  -36.2830   -0.9112  H     
40   H        32.4308  -31.7204   -0.1695  H     
41   H        30.9290  -31.9058    0.7160  H     
42   H        32.5944  -32.8826   -2.4614  H     
43   H        31.1008  -33.1777   -3.2890  H     
44   H        29.3470  -28.5888   -4.7769  H     
45   H        29.2668  -29.4897   -0.0280  H     
46   H        29.1997  -27.1935   -0.8150  H     
47   H        29.2358  -26.7246   -3.2046  H     
48   H        34.0793  -34.6263   -2.7670  H     
49   H        36.0602  -35.2185   -3.4879  H     
50   H        35.1721  -37.8236   -4.7858  H     
51   H        34.6187  -36.2006   -5.2221  H     
52   H        37.5463  -37.0839   -5.4517  H     
53   H        36.1496  -38.5681   -6.8634  H     
54   H        37.1718  -37.5101   -7.8405  H     
55   H        35.4338  -37.1448   -7.6729  H     
56   H        36.0787  -34.7322   -6.7761  H     
57   H        37.7771  -35.1920   -7.0637  H     
58   H        37.2918  -34.6050   -5.4718  H     
59   H        36.8625  -37.9833   -2.8836  H     
60   H        40.7886  -36.0878   -1.6190  H     
61   H        43.0470  -37.6818   -0.8418  H     
62   H        43.8271  -39.9951   -0.6928  H     
63   H        42.3609  -41.8145   -1.3607  H     
64   H        40.1045  -41.3526   -2.1599  H     
65   H        33.8635  -35.0711    0.5719  H     
66   H        33.9875  -33.6497   -0.4341  H     
67   H        31.3215  -34.4006    0.8355  H     
68   H        33.4835  -32.6624    2.1345  H     
69   H        32.9564  -34.2727    2.6800  H     
70   H        31.8320  -32.9135    2.7458  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1    5 2
     4    2   16 1
     5    2   36 1
     6    3    6 1
     7    3   37 1
     8    4    6 1
     9    6   13 1
    10    7    9 2
    11    7   12 1
    12    7   13 1
    13    8   11 1
    14    8   12 2
    15    9   10 1
    16   10   11 2
    17   13   14 2
    18   13   15 2
    19   16   17 am
    20   17   18 2
    21   17   19 1
    22   19   20 1
    23   19   24 1
    24   20   21 1
    25   21   22 1
    26   21   23 1
    27   24   25 am
    28   25   26 2
    29   25   27 1
    30   27   28 2
    31   27   29 1
    32   28   31 1
    33   29   30 1
    34   30   31 2
    35   30   35 1
    36   31   32 1
    37   32   33 2
    38   33   34 1
    39   34   35 2
    40   36   37 1
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    8   44 1
    48    9   45 1
    49   10   46 1
    50   11   47 1
    51   16   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   22   53 1
    57   22   54 1
    58   22   55 1
    59   23   56 1
    60   23   57 1
    61   23   58 1
    62   24   59 1
    63   28   60 1
    64   32   61 1
    65   33   62 1
    66   34   63 1
    67   35   64 1
    68   36   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0994
  Crash		| -1.9815
  Polar		| 3.8450
  FragIndex	| 1
  FragRMSD	| 1.115