@<TRIPOS>MOLECULE
BindingDB_35529
 45 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.2425   11.2788   -9.7385  C     
2    C        13.3584   11.2255  -10.5941  C     
3    C        14.4401   12.1079  -10.4077  C     
4    C        14.3719   13.0770   -9.3901  C     
5    C        13.2469   13.1350   -8.5474  C     
6    C        12.1690   12.2318   -8.6952  C     
7    C        11.0789   12.3492   -7.8111  C     
8    O        13.1789   14.0755   -7.5659  O     
9    C        12.1088   14.1846   -6.7339  C     
10   C        11.0192   13.2999   -6.8406  C     
11   O        10.0788   11.4791   -7.9501  O     
12   O        12.2182   15.1504   -5.7958  O     
13   C         9.0275   11.4277   -4.7162  C     
14   C         9.8395   12.5162   -4.8150  C     
15   C        10.7212   12.7706   -3.7514  C     
16   O        10.8370   11.8926   -2.7215  O     
17   C        10.0954   10.7548   -2.6532  C     
18   C         9.1201   10.5081   -3.6486  C     
19   C         8.3022    9.3622   -3.4947  C     
20   C        10.2708    9.8898   -1.5627  C     
21   C         9.4525    8.7479   -1.4112  C     
22   C         8.4697    8.4994   -2.3922  C     
23   O         8.0828   11.2327   -5.6342  O     
24   O        11.3789   13.9398   -3.5942  O     
25   C         9.8350   13.4378   -5.9673  C     
26   O        15.5345   12.0580  -11.2265  O     
27   O         9.5447    7.8404   -0.3778  O     
28   C        16.4087   10.9510  -10.9458  C     
29   C        10.1697    8.2088    0.8671  C     
30   H        11.4846   10.6177   -9.8865  H     
31   H        13.3900   10.5316  -11.3435  H     
32   H        15.1395   13.7365   -9.2614  H     
33   H         9.3161   11.9869   -8.3024  H     
34   H         7.5743    9.1434   -4.1783  H     
35   H        10.9885   10.1148   -0.8739  H     
36   H         7.8669    7.6771   -2.3075  H     
37   H         8.2881   10.3739   -6.0579  H     
38   H         9.7479   14.4584   -5.5917  H     
39   H         8.9344   13.3171   -6.5754  H     
40   H        16.7724   10.9768   -9.9138  H     
41   H        17.2697   11.0227  -11.6123  H     
42   H        15.9122    9.9954  -11.1343  H     
43   H        11.2392    8.3624    0.7280  H     
44   H        10.0441    7.3984    1.5820  H     
45   H         9.7176    9.1105    1.2850  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3   26 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7   10 2
    11    7   11 1
    12    8    9 1
    13    9   10 1
    14    9   12 2
    15   10   25 1
    16   13   14 2
    17   13   18 1
    18   13   23 1
    19   14   15 1
    20   14   25 1
    21   15   16 1
    22   15   24 2
    23   16   17 1
    24   17   18 2
    25   17   20 1
    26   18   19 1
    27   19   22 2
    28   20   21 2
    29   21   22 1
    30   21   27 1
    31   26   28 1
    32   27   29 1
    33    1   30 1
    34    2   31 1
    35    4   32 1
    36   11   33 1
    37   19   34 1
    38   20   35 1
    39   22   36 1
    40   23   37 1
    41   25   38 1
    42   25   39 1
    43   28   40 1
    44   28   41 1
    45   28   42 1
    46   29   43 1
    47   29   44 1
    48   29   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8770
  Crash		| -1.8678
  Polar		| 0.7259
  FragIndex	| 1
  FragRMSD	| 0.554