@<TRIPOS>MOLECULE
BindingDB_19772
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -21.3621   -2.4079   41.7143  C     
2    C       -20.5188   -2.9208   40.6298  C     
3    C       -21.3764   -5.4306   40.5138  C     
4    C       -22.2628   -5.5020   41.7847  C     
5    C       -22.0744   -3.2078   42.7023  C     
6    O       -21.4862   -1.1897   41.7849  O     
7    N       -22.8687   -4.2352   42.0946  N     
8    C       -25.1783   -5.0499   40.5372  C     
9    C       -26.6439   -6.9309   40.6338  C     
10   C       -25.0298   -5.2081   39.1445  C     
11   C       -25.7127   -6.2584   38.5012  C     
12   C       -26.5338   -7.1253   39.2458  C     
13   N       -25.9744   -5.9101   41.2243  N     
14   S       -24.3696   -3.8092   41.4342  S     
15   O       -25.3340   -3.4428   42.6451  O     
16   O       -24.2272   -2.5190   40.5103  O     
17   N       -21.1016   -2.5347   39.3645  N     
18   C       -20.4370   -2.2546   38.2475  C     
19   O       -19.2153   -2.3262   38.2322  O     
20   C       -21.1276   -2.0026   36.9841  C     
21   C       -21.1133   -3.2810   36.0782  C     
22   C       -21.4798   -3.0901   34.5659  C     
23   C       -20.9865   -4.2974   33.7117  C     
24   C       -22.9988   -2.8675   34.3283  C     
25   N       -20.6618   -0.8050   36.3299  N     
26   C       -19.5071   -0.6252   35.7046  C     
27   O       -18.6594   -1.5082   35.6583  O     
28   C       -19.2816    0.5374   34.9969  C     
29   C       -18.1330    0.8273   34.2563  C     
30   O       -20.1472    1.5806   34.8778  O     
31   C       -19.5750    2.5179   34.0827  C     
32   C       -18.3185    2.0706   33.6810  C     
33   C       -17.4857    2.8443   32.8559  C     
34   C       -17.9358    4.1167   32.4557  C     
35   C       -19.2072    4.5790   32.8586  C     
36   C       -20.0465    3.7743   33.6626  C     
37   C       -20.1567   -4.4537   40.5860  C     
38   C       -19.1119   -4.8663   41.6693  C     
39   H       -19.5638   -2.3973   40.7503  H     
40   H       -21.0037   -6.4422   40.3093  H     
41   H       -22.0038   -5.1532   39.6619  H     
42   H       -23.0252   -6.2722   41.6372  H     
43   H       -21.6610   -5.8514   42.6257  H     
44   H       -21.3523   -3.6271   43.4002  H     
45   H       -22.7203   -2.5720   43.3156  H     
46   H       -27.2259   -7.5513   41.2020  H     
47   H       -24.4303   -4.5874   38.6009  H     
48   H       -25.6126   -6.3933   37.4912  H     
49   H       -27.0313   -7.8963   38.7878  H     
50   H       -22.0662   -2.5325   39.3092  H     
51   H       -22.1744   -1.8009   37.2066  H     
52   H       -20.1111   -3.7290   36.1309  H     
53   H       -21.8076   -4.0304   36.5053  H     
54   H       -20.9550   -2.2064   34.1835  H     
55   H       -19.9028   -4.4153   33.8042  H     
56   H       -21.2117   -4.1301   32.6460  H     
57   H       -21.4687   -5.2291   34.0276  H     
58   H       -23.5624   -3.7794   34.5213  H     
59   H       -23.1678   -2.5630   33.2909  H     
60   H       -23.3764   -2.0702   34.9765  H     
61   H       -21.2750   -0.0496   36.3203  H     
62   H       -17.3071    0.2326   34.1438  H     
63   H       -16.5648    2.4947   32.5737  H     
64   H       -17.3346    4.7016   31.8709  H     
65   H       -19.5174    5.5074   32.5649  H     
66   H       -20.9659    4.1103   33.9481  H     
67   H       -19.6239   -4.6103   39.6409  H     
68   H       -18.2071   -4.2613   41.5674  H     
69   H       -18.8308   -5.9154   41.5520  H     
70   H       -19.4952   -4.7274   42.6794  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    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    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   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	| 1.5836
  Crash		| -1.6866
  Polar		| 1.1410
  FragIndex	| 1
  FragRMSD	| 1.296