@<TRIPOS>MOLECULE
BindingDB_11423
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3169    3.8285   15.3620  C     
2    C        -3.2858    4.9068   14.5341  C     
3    N        -4.4348    5.3688   13.9410  N     
4    S        -5.8935    5.2914   14.8079  S     
5    O        -6.0560    6.4398   15.8938  O     
6    O        -7.1957    5.1442   13.9054  O     
7    C        -4.4808    3.1968   15.7885  C     
8    C        -5.7351    3.7870   15.6264  C     
9    C        -4.5491    1.9328   16.4117  C     
10   C        -5.8454    1.5089   16.7307  C     
11   S        -6.9422    2.7398   16.2486  S     
12   N        -5.6102   -1.2571   16.5056  N     
13   S        -6.3033   -0.0184   17.4036  S     
14   O        -5.6312   -0.0760   18.8428  O     
15   O        -7.8839   -0.1707   17.5073  O     
16   C        -1.9790    5.5017   14.1672  C     
17   C        -4.5466    5.5101   12.5708  C     
18   C        -5.1997    6.6208   11.9954  C     
19   C        -5.3167    6.7513   10.5990  C     
20   C        -4.7907    5.7837    9.7013  C     
21   C        -4.1637    4.6591   10.2987  C     
22   C        -4.0509    4.5212   11.6918  C     
23   C        -2.0477    9.3257   13.6317  C     
24   C        -2.5642    7.8739   13.4853  C     
25   C        -1.8601    7.4208   15.8026  C     
26   C        -1.3966    8.8972   15.9154  C     
27   N        -1.7779    6.9729   14.3800  N     
28   O        -2.1184    9.7504   15.0056  O     
29   C        -5.0099    4.8106    7.4097  C     
30   C        -3.8168    4.8117    6.4254  C     
31   C        -3.6490    7.2087    6.6285  C     
32   C        -4.8020    7.2260    7.6672  C     
33   N        -4.8819    5.9311    8.3305  N     
34   O        -3.7498    6.0776    5.7386  O     
35   H        -2.4616    3.4310   15.6774  H     
36   H        -3.7243    1.3555   16.5931  H     
37   H        -5.3022   -2.0545   16.9661  H     
38   H        -5.2628   -1.0587   15.6111  H     
39   H        -1.1611    5.0165   14.7105  H     
40   H        -1.7732    5.2782   13.1188  H     
41   H        -5.5992    7.3468   12.5962  H     
42   H        -5.8406    7.5544   10.2494  H     
43   H        -3.7208    3.9392    9.7271  H     
44   H        -3.5905    3.6877   12.0662  H     
45   H        -1.0196    9.4006   13.2653  H     
46   H        -2.6692    9.9945   13.0333  H     
47   H        -3.6227    7.8548   13.7522  H     
48   H        -2.4573    7.5691   12.4412  H     
49   H        -1.2123    6.8073   16.4313  H     
50   H        -2.8853    7.3323   16.1756  H     
51   H        -1.5843    9.2600   16.9267  H     
52   H        -0.3214    8.9694   15.7241  H     
53   H        -0.8029    7.1325   14.1126  H     
54   H        -5.9354    4.9307    6.8372  H     
55   H        -5.0812    3.8335    7.8859  H     
56   H        -2.8830    4.6172    6.9611  H     
57   H        -3.9517    4.0205    5.6870  H     
58   H        -3.6868    8.1217    6.0300  H     
59   H        -2.6843    7.1844    7.1449  H     
60   H        -4.5998    8.0605    8.3404  H     
61   H        -5.7478    7.4339    7.1584  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   27 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   20   21 1
    25   20   33 1
    26   21   22 2
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34   29   33 1
    35   30   34 1
    36   31   32 1
    37   31   34 1
    38   32   33 1
    39    1   35 1
    40    9   36 1
    41   12   37 1
    42   12   38 1
    43   16   39 1
    44   16   40 1
    45   18   41 1
    46   19   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   29   54 1
    59   29   55 1
    60   30   56 1
    61   30   57 1
    62   31   58 1
    63   31   59 1
    64   32   60 1
    65   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5089
  Crash		| -2.0271
  Polar		| 1.5639
  FragIndex	| 1
  FragRMSD	| 0.674