@<TRIPOS>MOLECULE
BindingDB_11052
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4308    7.4296   13.4255  C     
2    C        -2.9031    7.7209   12.1125  C     
3    C        -1.2066    7.9933   13.8634  C     
4    C        -0.4553    8.8199   13.0189  C     
5    C        -0.9209    9.1056   11.7252  C     
6    C        -2.1412    8.5661   11.2826  C     
7    S        -4.4536    7.2125   11.4720  S     
8    S        -4.4160    5.1417   11.3927  S     
9    C        -3.4167    4.7113   10.0148  C     
10   C        -1.6218    3.8624    7.9978  C     
11   C        -2.5032    4.9254    7.7541  C     
12   C        -3.4357    5.3518    8.7367  C     
13   C        -2.5252    3.6419   10.2373  C     
14   C        -1.6435    3.2052    9.2370  C     
15   C        -4.3424    6.3432    8.3923  C     
16   O        -3.9312    7.5009    8.2832  O     
17   C        -3.1191    6.6068   14.2834  C     
18   O        -3.4962    7.0677   15.3603  O     
19   N        -3.1993    5.3145   14.0118  N     
20   C        -3.8981    4.3616   14.6874  C     
21   C        -5.2949    4.4498   14.9087  C     
22   C        -5.9848    3.4076   15.5408  C     
23   C        -5.2880    2.2606   15.9731  C     
24   C        -3.8959    2.1660   15.7588  C     
25   C        -3.2111    3.2074   15.1144  C     
26   N        -7.7391    1.2200   17.1145  N     
27   S        -6.1155    0.9613   16.7714  S     
28   O        -5.9667   -0.3757   15.9291  O     
29   O        -5.3539    0.7092   18.1428  O     
30   N        -5.6274    6.0705    8.2293  N     
31   C        -6.6170    6.9402    7.8862  C     
32   C        -8.6924    8.7726    7.2543  C     
33   C        -7.7860    8.3518    6.2569  C     
34   C        -6.7535    7.4450    6.5699  C     
35   C        -7.5427    7.3363    8.8685  C     
36   C        -8.5576    8.2556    8.5602  C     
37   S        -9.9591    9.9204    6.9093  S     
38   O        -9.5226   11.3421    7.4698  O     
39   O       -10.2245    9.9965    5.3432  O     
40   N       -11.3936    9.4614    7.6582  N     
41   H        -0.8503    7.8013   14.8075  H     
42   H         0.4329    9.2152   13.3412  H     
43   H        -0.3732    9.7133   11.1116  H     
44   H        -2.4735    8.8199   10.3497  H     
45   H        -0.9568    3.5630    7.2748  H     
46   H        -2.4764    5.3705    6.8267  H     
47   H        -2.5001    3.1639   11.1421  H     
48   H        -1.0018    2.4288    9.4120  H     
49   H        -2.6747    5.0013   13.2582  H     
50   H        -5.8166    5.2643   14.5766  H     
51   H        -6.9953    3.4896   15.6762  H     
52   H        -3.3758    1.3409   16.0674  H     
53   H        -2.2001    3.1251   14.9631  H     
54   H        -8.1243    0.7626   17.8743  H     
55   H        -8.3234    1.5479   16.4123  H     
56   H        -5.9056    5.1487    8.3827  H     
57   H        -7.8642    8.7064    5.3004  H     
58   H        -6.1105    7.1473    5.8320  H     
59   H        -7.4581    6.9846    9.8237  H     
60   H        -9.1921    8.5562    9.3013  H     
61   H       -12.2246    9.9022    7.4186  H     
62   H       -11.4289    8.6390    8.1709  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1   17 1
     4    2    6 2
     5    2    7 1
     6    3    4 1
     7    4    5 2
     8    5    6 1
     9    7    8 1
    10    8    9 1
    11    9   12 1
    12    9   13 2
    13   10   11 1
    14   10   14 2
    15   11   12 2
    16   12   15 1
    17   13   14 1
    18   15   16 2
    19   15   30 am
    20   17   18 2
    21   17   19 am
    22   19   20 1
    23   20   21 1
    24   20   25 2
    25   21   22 2
    26   22   23 1
    27   23   24 2
    28   23   27 1
    29   24   25 1
    30   26   27 am
    31   27   28 2
    32   27   29 2
    33   30   31 1
    34   31   34 1
    35   31   35 2
    36   32   33 1
    37   32   36 2
    38   32   37 1
    39   33   34 2
    40   35   36 1
    41   37   38 2
    42   37   39 2
    43   37   40 am
    44    3   41 1
    45    4   42 1
    46    5   43 1
    47    6   44 1
    48   10   45 1
    49   11   46 1
    50   13   47 1
    51   14   48 1
    52   19   49 1
    53   21   50 1
    54   22   51 1
    55   24   52 1
    56   25   53 1
    57   26   54 1
    58   26   55 1
    59   30   56 1
    60   33   57 1
    61   34   58 1
    62   35   59 1
    63   36   60 1
    64   40   61 1
    65   40   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8284
  Crash		| -3.3508
  Polar		| 5.3268
  FragIndex	| 1
  FragRMSD	| 1.208