@<TRIPOS>MOLECULE
BindingDB_13808
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.2825   -2.6144   -4.3838  C     
2    C        16.6468   -3.6515   -3.6687  C     
3    C        16.4448   -3.5461   -2.2815  C     
4    C        16.8620   -2.3967   -1.5695  C     
5    C        17.4890   -1.3519   -2.2919  C     
6    C        17.7052   -1.4627   -3.6780  C     
7    C        16.6022   -2.3023   -0.1052  C     
8    C        17.1949   -1.2978    1.9815  C     
9    C        17.7900   -1.8960    0.8082  C     
10   O        15.2457    0.2394   -0.3694  O     
11   S        15.2789   -1.1749    0.3623  S     
12   O        13.9260   -1.9984    0.5013  O     
13   N        15.9430   -0.9198    1.8815  N     
14   O        17.8198   -1.1183    3.0155  O     
15   C        17.4247   -2.7274   -5.8629  C     
16   C        18.5546   -3.6653   -6.4217  C     
17   C        19.0874   -4.6252   -5.4580  C     
18   O        19.7558   -4.2240   -4.5140  O     
19   N        18.8923   -5.9261   -5.5217  N     
20   N        18.0647   -4.3069   -7.6308  N     
21   C        18.4714   -4.0806   -8.8804  C     
22   O        19.3938   -3.2969   -9.0997  O     
23   C        17.8957   -4.8061  -10.0100  C     
24   C        18.7306   -6.0903  -10.3170  C     
25   C        18.4245   -6.7144  -11.6372  C     
26   C        17.8985   -7.8945  -14.1647  C     
27   C        17.4225   -8.5051  -12.9882  C     
28   C        17.6785   -7.9155  -11.7338  C     
29   C        18.8982   -6.1176  -12.8313  C     
30   C        18.6353   -6.7009  -14.0863  C     
31   N        17.8630   -3.9463  -11.1721  N     
32   C        16.8331   -3.6719  -11.9699  C     
33   O        15.7417   -4.1720  -11.7011  O     
34   C        16.9656   -2.9278  -13.1529  C     
35   C        18.3554   -1.8173  -14.8663  C     
36   C        17.2153   -1.5225  -15.6285  C     
37   C        15.9484   -1.8922  -15.1535  C     
38   C        15.8267   -2.5832  -13.9335  C     
39   C        18.2332   -2.5093  -13.6449  C     
40   H        16.3139   -4.4875   -4.1554  H     
41   H        15.9777   -4.3180   -1.8020  H     
42   H        17.7928   -0.5019   -1.8168  H     
43   H        18.1713   -0.6976   -4.1704  H     
44   H        16.2610   -3.2791    0.2613  H     
45   H        18.3854   -2.7737    1.0797  H     
46   H        18.4407   -1.1572    0.3349  H     
47   H        15.4489   -0.5217    2.6152  H     
48   H        16.4521   -3.0459   -6.2475  H     
49   H        17.5968   -1.7258   -6.2769  H     
50   H        19.3986   -3.0134   -6.6735  H     
51   H        19.2632   -6.4958   -4.8257  H     
52   H        18.3592   -6.3115   -6.2256  H     
53   H        17.3611   -4.9710   -7.5170  H     
54   H        16.8853   -5.1366   -9.7483  H     
55   H        19.8000   -5.8630  -10.2785  H     
56   H        18.5435   -6.8201   -9.5210  H     
57   H        17.7156   -8.3246  -15.0737  H     
58   H        16.8881   -9.3718  -13.0455  H     
59   H        17.3114   -8.3634  -10.8909  H     
60   H        19.4432   -5.2533  -12.7960  H     
61   H        18.9830   -6.2578  -14.9400  H     
62   H        18.7142   -3.5642  -11.4304  H     
63   H        19.2809   -1.5374  -15.2036  H     
64   H        17.3065   -1.0276  -16.5185  H     
65   H        15.1134   -1.6682  -15.7017  H     
66   H        14.8852   -2.8356  -13.6244  H     
67   H        19.0915   -2.7161  -13.1350  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   32 am
    35   32   33 2
    36   32   34 1
    37   34   38 1
    38   34   39 2
    39   35   36 2
    40   35   39 1
    41   36   37 1
    42   37   38 2
    43    2   40 1
    44    3   41 1
    45    5   42 1
    46    6   43 1
    47    7   44 1
    48    9   45 1
    49    9   46 1
    50   13   47 1
    51   15   48 1
    52   15   49 1
    53   16   50 1
    54   19   51 1
    55   19   52 1
    56   20   53 1
    57   23   54 1
    58   24   55 1
    59   24   56 1
    60   26   57 1
    61   27   58 1
    62   28   59 1
    63   29   60 1
    64   30   61 1
    65   31   62 1
    66   35   63 1
    67   36   64 1
    68   37   65 1
    69   38   66 1
    70   39   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4178
  Crash		| -2.5581
  Polar		| 6.0347
  FragIndex	| 1
  FragRMSD	| 0.668