@<TRIPOS>MOLECULE
BindingDB_26445
 52 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.1055   -3.6598   20.5812  C     
2    C        24.6483   -4.8598   19.9070  C     
3    O        24.4731   -5.0536   18.5796  O     
4    O        25.5366   -5.6555   20.5395  O     
5    C        25.1562   -2.5258   20.7919  C     
6    C        26.2632   -2.3605   19.7127  C     
7    C        27.1432   -1.2083   19.9880  C     
8    O        27.8771   -1.1644   21.1236  O     
9    O        27.2628   -0.1944   19.1024  O     
10   N        22.9452   -3.1720   19.9041  N     
11   S        21.4287   -3.8991   20.0428  S     
12   O        21.3519   -4.8165   21.3411  O     
13   O        21.2275   -4.8402   18.7752  O     
14   C        20.1928   -2.6828   20.1742  C     
15   C        18.9802   -0.9855   21.4686  C     
16   C        18.6780   -0.3214   22.6666  C     
17   C        17.7444    0.6523   22.6933  C     
18   C        17.0511    1.0189   21.5682  C     
19   C        17.3316    0.4309   20.3821  C     
20   C        18.2624   -0.6122   20.2944  C     
21   C        18.4943   -1.3042   19.0864  C     
22   C        19.4514   -2.3320   19.0305  C     
23   C        19.9567   -2.0063   21.3913  C     
24   C        14.7748    1.7089   21.2867  C     
25   O        16.1346    2.0020   21.6924  O     
26   C        14.1010    0.5571   22.0925  C     
27   C        12.9130   -0.1679   21.3868  C     
28   C        11.5317    0.5461   21.4356  C     
29   C        11.3609    1.6898   20.4131  C     
30   H        23.7803   -3.9805   21.5777  H     
31   H        24.6279   -1.5724   20.8910  H     
32   H        25.6532   -2.7113   21.7463  H     
33   H        26.8916   -3.2554   19.6943  H     
34   H        25.8125   -2.2456   18.7240  H     
35   H        23.0845   -2.5837   19.1395  H     
36   H        19.1444   -0.5637   23.5104  H     
37   H        17.5515    1.1183   23.5505  H     
38   H        16.8655    0.7338   19.5586  H     
39   H        17.9667   -1.0704   18.2410  H     
40   H        19.6081   -2.8130   18.1408  H     
41   H        20.4887   -2.2684   22.2258  H     
42   H        14.2020    2.6248   21.4536  H     
43   H        14.7378    1.4972   20.2152  H     
44   H        14.8585   -0.2022   22.3035  H     
45   H        13.7710    0.9490   23.0589  H     
46   H        13.1719   -0.3960   20.3474  H     
47   H        12.7885   -1.1304   21.8901  H     
48   H        10.7544   -0.1935   21.2278  H     
49   H        11.3485    0.9337   22.4418  H     
50   H        12.0091    2.5287   20.6645  H     
51   H        10.3282    2.0432   20.4242  H     
52   H        11.5956    1.3408   19.4053  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   11 1
    11   11   12 2
    12   11   13 2
    13   11   14 1
    14   14   22 2
    15   14   23 1
    16   15   16 1
    17   15   20 1
    18   15   23 2
    19   16   17 2
    20   17   18 1
    21   18   19 2
    22   18   25 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26   24   25 1
    27   24   26 1
    28   26   27 1
    29   27   28 1
    30   28   29 1
    31    1   30 1
    32    5   31 1
    33    5   32 1
    34    6   33 1
    35    6   34 1
    36   10   35 1
    37   16   36 1
    38   17   37 1
    39   19   38 1
    40   21   39 1
    41   22   40 1
    42   23   41 1
    43   24   42 1
    44   24   43 1
    45   26   44 1
    46   26   45 1
    47   27   46 1
    48   27   47 1
    49   28   48 1
    50   28   49 1
    51   29   50 1
    52   29   51 1
    53   29   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7116
  Crash		| -0.9561
  Polar		| 5.9232
  FragIndex	| 1
  FragRMSD	| 1.210