@<TRIPOS>MOLECULE
BindingDB_19778
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6122  -34.9660   -1.9456  C     
2    C        32.9087  -35.1309   -1.2931  C     
3    C        31.3216  -33.8450   -2.8292  C     
4    O        30.6706  -35.6812   -1.6083  O     
5    N        31.0792  -32.6598   -2.0450  N     
6    C        29.0720  -30.7245   -1.3302  C     
7    C        28.3888  -28.7576   -2.4942  C     
8    C        29.0589  -30.0319   -0.1026  C     
9    C        28.6990  -28.6698   -0.0929  C     
10   C        28.3645  -28.0246   -1.2938  C     
11   N        28.7370  -30.0699   -2.4735  N     
12   S        29.5141  -32.4018   -1.4265  S     
13   O        28.4078  -33.0532   -2.3691  O     
14   O        29.3705  -33.1210   -0.0166  O     
15   N        33.9349  -35.3475   -2.2755  N     
16   C        34.7275  -36.4032   -2.4473  C     
17   O        34.5816  -37.4292   -1.7842  O     
18   C        35.7534  -36.3565   -3.4950  C     
19   C        35.1569  -36.8076   -4.8678  C     
20   C        36.1220  -36.8065   -6.1021  C     
21   C        37.0176  -35.5402   -6.1696  C     
22   C        36.9678  -38.1102   -6.2080  C     
23   N        36.8996  -37.1515   -3.1180  N     
24   C        38.0639  -36.6944   -2.6722  C     
25   O        38.2474  -35.4944   -2.5074  O     
26   C        39.0935  -37.5559   -2.3393  C     
27   C        40.3510  -37.2014   -1.8307  C     
28   O        39.0384  -38.9113   -2.4431  O     
29   C        40.2206  -39.4197   -2.0117  C     
30   C        41.0580  -38.3742   -1.6247  C     
31   C        42.3486  -38.6181   -1.1236  C     
32   C        42.7883  -39.9555   -1.0102  C     
33   C        41.9423  -41.0183   -1.3970  C     
34   C        40.6504  -40.7551   -1.9052  C     
35   C        33.2714  -33.9025   -0.4013  C     
36   C        33.4790  -32.5523   -1.1493  C     
37   C        32.1702  -31.8123   -1.5896  C     
38   C        32.4805  -30.7407   -2.6706  C     
39   H        32.8509  -35.9933   -0.6220  H     
40   H        32.1525  -33.6858   -3.5211  H     
41   H        30.4604  -34.0732   -3.4658  H     
42   H        28.1454  -28.3140   -3.3801  H     
43   H        29.3087  -30.4996    0.7719  H     
44   H        28.6859  -28.1556    0.7900  H     
45   H        28.1059  -27.0364   -1.2905  H     
46   H        34.0773  -34.6183   -2.8952  H     
47   H        36.0554  -35.3144   -3.6277  H     
48   H        34.7236  -37.8145   -4.7558  H     
49   H        34.3216  -36.1348   -5.1033  H     
50   H        35.4860  -36.7914   -6.9908  H     
51   H        36.4089  -34.6468   -6.0529  H     
52   H        37.5196  -35.4896   -7.1372  H     
53   H        37.7757  -35.5557   -5.3895  H     
54   H        37.6902  -38.1990   -5.3917  H     
55   H        37.5231  -38.1200   -7.1533  H     
56   H        36.3199  -38.9958   -6.1933  H     
57   H        36.8153  -38.1177   -3.1936  H     
58   H        40.6928  -36.2646   -1.6336  H     
59   H        42.9544  -37.8436   -0.8405  H     
60   H        43.7231  -40.1532   -0.6424  H     
61   H        42.2682  -41.9848   -1.3103  H     
62   H        40.0401  -41.5235   -2.1915  H     
63   H        32.5026  -33.7617    0.3657  H     
64   H        34.2003  -34.1344    0.1240  H     
65   H        34.0318  -31.8789   -0.4867  H     
66   H        34.1231  -32.7183   -2.0131  H     
67   H        31.8403  -31.2632   -0.7001  H     
68   H        32.8288  -31.2131   -3.5936  H     
69   H        33.2549  -30.0578   -2.3145  H     
70   H        31.5871  -30.1565   -2.8965  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	| 8.2722
  Crash		| -1.9539
  Polar		| 4.5308
  FragIndex	| 1
  FragRMSD	| 1.243