@<TRIPOS>MOLECULE
BindingDB_19781
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        32.1569  -35.0482   -1.1954  C     
2    C        33.0749  -34.2453   -2.0162  C     
3    C        31.0240  -34.5022   -0.4586  C     
4    O        32.2878  -36.2691   -1.1452  O     
5    N        30.8435  -33.0681   -0.5201  N     
6    C        29.5925  -30.8038   -1.9729  C     
7    C        29.6942  -29.2572   -3.7945  C     
8    C        29.4341  -29.7429   -1.0583  C     
9    C        29.4132  -28.4199   -1.5379  C     
10   C        29.5512  -28.1674   -2.9189  C     
11   N        29.7059  -30.5220   -3.2970  N     
12   S        29.5695  -32.4727   -1.4751  S     
13   O        29.4680  -33.3261   -2.8143  O     
14   O        28.2124  -32.7149   -0.6864  O     
15   N        33.9964  -34.9740   -2.8503  N     
16   C        35.0005  -35.7760   -2.5048  C     
17   O        35.1099  -36.1759   -1.3501  O     
18   C        36.0757  -36.0004   -3.4736  C     
19   C        35.5950  -36.5910   -4.8421  C     
20   C        36.7088  -36.6255   -5.9553  C     
21   C        36.2930  -37.5457   -7.1413  C     
22   C        37.0838  -35.2143   -6.4926  C     
23   N        37.1254  -36.8474   -2.9587  N     
24   C        38.2831  -36.4394   -2.4454  C     
25   O        38.5040  -35.2458   -2.2599  O     
26   C        39.2398  -37.3790   -2.1188  C     
27   C        40.4581  -37.1252   -1.4600  C     
28   O        39.1476  -38.7099   -2.3585  O     
29   C        40.2746  -39.3091   -1.8875  C     
30   C        41.1036  -38.3371   -1.3294  C     
31   C        42.3340  -38.6938   -0.7326  C     
32   C        42.7283  -40.0410   -0.7492  C     
33   C        41.8896  -41.0304   -1.3215  C     
34   C        40.6444  -40.6582   -1.8965  C     
35   C        33.8593  -33.1657   -1.1943  C     
36   C        33.0184  -31.9093   -0.8133  C     
37   C        31.7873  -32.1541    0.1107  C     
38   C        32.2087  -32.5388    1.5615  C     
39   H        32.4475  -33.7124   -2.7394  H     
40   H        30.1220  -35.0151   -0.8151  H     
41   H        31.1272  -34.7897    0.5903  H     
42   H        29.7676  -29.1068   -4.8073  H     
43   H        29.3204  -29.9302   -0.0572  H     
44   H        29.3098  -27.6391   -0.8843  H     
45   H        29.5345  -27.2090   -3.2724  H     
46   H        33.9720  -34.7259   -3.7852  H     
47   H        36.4821  -35.0096   -3.6853  H     
48   H        35.2438  -37.6142   -4.6525  H     
49   H        34.7430  -36.0099   -5.2266  H     
50   H        37.6167  -37.0704   -5.5268  H     
51   H        36.0782  -38.5540   -6.7774  H     
52   H        37.1083  -37.6136   -7.8652  H     
53   H        35.4087  -37.1425   -7.6410  H     
54   H        36.1953  -34.6971   -6.8696  H     
55   H        37.8090  -35.2981   -7.3103  H     
56   H        37.5414  -34.6021   -5.7088  H     
57   H        36.9966  -37.8068   -3.0606  H     
58   H        40.8149  -36.2195   -1.1575  H     
59   H        42.9325  -37.9744   -0.3208  H     
60   H        43.6182  -40.3202   -0.3247  H     
61   H        42.1821  -42.0091   -1.3256  H     
62   H        40.0310  -41.3721   -2.2931  H     
63   H        34.2967  -33.6220   -0.2963  H     
64   H        34.6950  -32.7891   -1.8031  H     
65   H        33.6904  -31.1956   -0.3226  H     
66   H        32.6771  -31.4349   -1.7399  H     
67   H        31.3023  -31.1804    0.2281  H     
68   H        31.3206  -32.7763    2.1574  H     
69   H        32.7458  -31.7032    2.0297  H     
70   H        32.8676  -33.4137    1.5844  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 2
     4    2   15 1
     5    2   35 1
     6    3    5 1
     7    5   12 1
     8    5   37 1
     9    6    8 2
    10    6   11 1
    11    6   12 1
    12    7   10 1
    13    7   11 2
    14    8    9 1
    15    9   10 2
    16   12   13 2
    17   12   14 2
    18   15   16 am
    19   16   17 2
    20   16   18 1
    21   18   19 1
    22   18   23 1
    23   19   20 1
    24   20   21 1
    25   20   22 1
    26   23   24 am
    27   24   25 2
    28   24   26 1
    29   26   27 2
    30   26   28 1
    31   27   30 1
    32   28   29 1
    33   29   30 2
    34   29   34 1
    35   30   31 1
    36   31   32 2
    37   32   33 1
    38   33   34 2
    39   35   36 1
    40   36   37 1
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    7   42 1
    46    8   43 1
    47    9   44 1
    48   10   45 1
    49   15   46 1
    50   18   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   21   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   22   55 1
    59   22   56 1
    60   23   57 1
    61   27   58 1
    62   31   59 1
    63   32   60 1
    64   33   61 1
    65   34   62 1
    66   35   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	| 3.7525
  Crash		| -2.4432
  Polar		| 0.4845
  FragIndex	| 1
  FragRMSD	| 1.374