@<TRIPOS>MOLECULE
BindingDB_11433
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.9786   28.2836   28.6612  C     
2    C        25.4986   27.2758   27.9134  C     
3    C        26.4312   27.5508   26.8988  C     
4    C        26.4030   29.8021   27.5743  C     
5    C        26.6366   31.1646   27.6058  C     
6    C        25.8252   31.6379   28.6309  C     
7    N        23.9755   28.0672   29.5200  N     
8    C        22.8052   27.4291   29.2504  C     
9    C        22.0405   26.9775   30.3466  C     
10   C        22.3273   27.1846   27.9417  C     
11   C        21.1743   26.4120   27.7291  C     
12   C        20.4818   25.8751   28.8284  C     
13   C        20.8950   26.1827   30.1367  C     
14   S        19.1490   24.8014   28.5354  S     
15   O        18.1621   24.7528   29.7807  O     
16   O        18.2701   25.4214   27.3708  O     
17   N        19.6302   23.2342   28.1034  N     
18   C        20.0903   22.3574   29.1452  C     
19   C        20.1137   23.0456   26.7651  C     
20   N        25.4758   29.5242   28.5158  N     
21   N        26.8722   28.8298   26.7502  N     
22   N        25.1312   30.6089   29.1444  N     
23   N        26.9012   26.6328   26.0110  N     
24   C        26.5487   25.2413   25.9317  C     
25   C        27.6393   24.4376   25.1594  C     
26   C        25.1663   25.0379   25.2392  C     
27   C        24.7759   23.5423   25.1712  C     
28   C        25.8599   22.6898   24.4463  C     
29   C        27.2851   22.9252   25.0504  C     
30   C        27.4777   31.9299   26.6651  C     
31   C        26.5792   32.8527   25.8192  C     
32   C        28.5634   32.7107   27.4362  C     
33   N        25.5091   21.2440   24.3535  N     
34   C        26.2039   20.2643   25.2308  C     
35   C        25.6917   18.8407   24.9322  C     
36   H        25.1718   26.3423   28.0394  H     
37   H        25.7237   32.6132   28.9183  H     
38   H        24.1181   28.3490   30.4405  H     
39   H        22.3518   27.1562   31.3080  H     
40   H        22.8111   27.5633   27.1270  H     
41   H        20.8688   26.2320   26.7719  H     
42   H        20.3933   25.8111   30.9484  H     
43   H        21.0790   22.6703   29.4856  H     
44   H        20.1612   21.3277   28.7864  H     
45   H        19.4075   22.3559   29.9910  H     
46   H        19.4697   23.5444   26.0382  H     
47   H        20.1400   21.9871   26.4981  H     
48   H        21.1250   23.4486   26.6747  H     
49   H        27.5394   26.9552   25.3528  H     
50   H        26.5120   24.8404   26.9455  H     
51   H        27.7548   24.8488   24.1529  H     
52   H        28.5960   24.5395   25.6823  H     
53   H        24.3954   25.5624   25.8126  H     
54   H        25.1930   25.4554   24.2244  H     
55   H        24.6417   23.1793   26.1928  H     
56   H        23.8228   23.4408   24.6413  H     
57   H        25.8968   23.0329   23.4062  H     
58   H        28.0316   22.4249   24.4259  H     
59   H        27.3435   22.4857   26.0500  H     
60   H        27.9921   31.2494   25.9761  H     
61   H        25.8926   32.2509   25.2281  H     
62   H        27.1761   33.4701   25.1407  H     
63   H        25.9839   33.5064   26.4668  H     
64   H        28.0838   33.4411   28.0928  H     
65   H        29.2118   33.2341   26.7265  H     
66   H        29.1770   32.0358   28.0428  H     
67   H        24.5089   21.1522   24.5562  H     
68   H        25.6482   20.9563   23.3784  H     
69   H        27.2878   20.2780   25.0760  H     
70   H        25.9951   20.5060   26.2765  H     
71   H        24.6126   18.7899   25.1060  H     
72   H        26.1919   18.1195   25.5825  H     
73   H        25.9014   18.5824   23.8936  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   30 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   33 1
    35   30   31 1
    36   30   32 1
    37   33   34 1
    38   34   35 1
    39    2   36 1
    40    6   37 1
    41    7   38 1
    42    9   39 1
    43   10   40 1
    44   11   41 1
    45   13   42 1
    46   18   43 1
    47   18   44 1
    48   18   45 1
    49   19   46 1
    50   19   47 1
    51   19   48 1
    52   23   49 1
    53   24   50 1
    54   25   51 1
    55   25   52 1
    56   26   53 1
    57   26   54 1
    58   27   55 1
    59   27   56 1
    60   28   57 1
    61   29   58 1
    62   29   59 1
    63   30   60 1
    64   31   61 1
    65   31   62 1
    66   31   63 1
    67   32   64 1
    68   32   65 1
    69   32   66 1
    70   33   67 1
    71   33   68 1
    72   34   69 1
    73   34   70 1
    74   35   71 1
    75   35   72 1
    76   35   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4745
  Crash		| -7.3873
  Polar		| 2.5025
  FragIndex	| 1
  FragRMSD	| 0.777