@<TRIPOS>MOLECULE
BindingDB_19777
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        32.0113  -35.1494   -1.4197  C     
2    C        33.0648  -34.3099   -1.9673  C     
3    C        31.4292  -32.8028    0.2333  C     
4    C        30.6532  -34.6353   -1.3169  C     
5    O        32.3054  -36.1612   -0.7912  O     
6    N        30.5508  -33.2789   -0.8173  N     
7    C        29.5599  -30.7391   -1.8472  C     
8    C        29.7354  -29.3054   -3.7502  C     
9    C        29.8067  -29.6540   -0.9836  C     
10   C        30.0169  -28.3766   -1.5301  C     
11   C        29.9806  -28.1922   -2.9237  C     
12   N        29.5348  -30.5252   -3.1913  N     
13   S        29.2056  -32.3322   -1.2425  S     
14   O        28.2714  -33.0429   -2.3153  O     
15   O        28.2615  -32.2033    0.0330  O     
16   N        33.9974  -34.9905   -2.8144  N     
17   C        34.9664  -35.8545   -2.5286  C     
18   O        35.1149  -36.2733   -1.3824  O     
19   C        35.9456  -36.1519   -3.5822  C     
20   C        35.2881  -36.8343   -4.8336  C     
21   C        36.1009  -36.8897   -6.1773  C     
22   C        37.0499  -35.6777   -6.4088  C     
23   C        36.8523  -38.2355   -6.4117  C     
24   N        37.0427  -36.9615   -3.1039  N     
25   C        38.2253  -36.5274   -2.6905  C     
26   O        38.4610  -35.3281   -2.6058  O     
27   C        39.2129  -37.4197   -2.3312  C     
28   C        40.4659  -37.1126   -1.7917  C     
29   O        39.1190  -38.7711   -2.4577  O     
30   C        40.2704  -39.3202   -2.0022  C     
31   C        41.1294  -38.3096   -1.5684  C     
32   C        42.3817  -38.6099   -1.0041  C     
33   C        42.7582  -39.9648   -0.8691  C     
34   C        41.8952  -40.9907   -1.3105  C     
35   C        40.6450  -40.6745   -1.8909  C     
36   C        33.7240  -33.4284   -0.8648  C     
37   C        32.8003  -32.2888   -0.3166  C     
38   C        33.5525  -31.4693    0.7676  C     
39   H        32.5877  -33.6098   -2.6617  H     
40   H        30.9433  -32.0034    0.7996  H     
41   H        31.6080  -33.6097    0.9512  H     
42   H        30.2285  -34.7126   -2.3217  H     
43   H        30.0479  -35.2687   -0.6607  H     
44   H        29.6936  -29.1969   -4.7662  H     
45   H        29.8124  -29.7824    0.0309  H     
46   H        30.1874  -27.5802   -0.9133  H     
47   H        30.1238  -27.2661   -3.3296  H     
48   H        33.9684  -34.7115   -3.7401  H     
49   H        36.3215  -35.1769   -3.9103  H     
50   H        34.9777  -37.8526   -4.5611  H     
51   H        34.3694  -36.2864   -5.0712  H     
52   H        35.3594  -36.8267   -6.9848  H     
53   H        36.4955  -34.7364   -6.3220  H     
54   H        37.4900  -35.7303   -7.4083  H     
55   H        37.8667  -35.6745   -5.6900  H     
56   H        37.6908  -38.3520   -5.7260  H     
57   H        37.2452  -38.2771   -7.4330  H     
58   H        36.1680  -39.0769   -6.2766  H     
59   H        36.9133  -37.9237   -3.0938  H     
60   H        40.8287  -36.1865   -1.5675  H     
61   H        43.0031  -37.8615   -0.6911  H     
62   H        43.6625  -40.2004   -0.4511  H     
63   H        42.1844  -41.9712   -1.2188  H     
64   H        40.0251  -41.4189   -2.2218  H     
65   H        34.0514  -34.0572   -0.0320  H     
66   H        34.6183  -32.9634   -1.2916  H     
67   H        32.5918  -31.5961   -1.1390  H     
68   H        32.9588  -30.6117    1.0929  H     
69   H        34.4977  -31.0888    0.3730  H     
70   H        33.7667  -32.0943    1.6385  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	| 4.4964
  Crash		| -2.2910
  Polar		| 1.7638
  FragIndex	| 1
  FragRMSD	| 1.293