@<TRIPOS>MOLECULE
BindingDB_11436
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.0112   28.1593   28.4817  C     
2    C        25.4924   27.2475   27.5971  C     
3    C        26.4430   27.6293   26.6348  C     
4    C        26.4555   29.7753   27.5807  C     
5    C        26.6473   31.1384   27.6720  C     
6    C        25.7904   31.5361   28.6945  C     
7    N        24.0713   27.8538   29.3804  N     
8    C        22.8790   27.2435   29.1609  C     
9    C        22.3054   27.0654   27.8810  C     
10   C        22.1702   26.7723   30.2849  C     
11   C        20.9739   26.0484   30.1284  C     
12   C        20.4460   25.8196   28.8428  C     
13   C        21.1053   26.3552   27.7215  C     
14   S        19.0058   24.8742   28.6204  S     
15   O        18.0752   24.9575   29.9079  O     
16   O        18.1314   25.5512   27.4777  O     
17   N        19.2785   23.2531   28.2098  N     
18   C        19.4636   22.3139   29.2798  C     
19   C        19.8338   22.9687   26.9182  C     
20   N        25.5036   29.4143   28.4636  N     
21   N        26.9404   28.8922   26.6746  N     
22   N        25.1147   30.4590   29.1355  N     
23   C        26.1094   26.0996   24.6482  C     
24   C        24.6922   25.5612   25.0287  C     
25   C        27.0136   24.9783   24.0464  C     
26   C        27.0199   23.6720   24.8802  C     
27   C        25.5775   23.1523   25.1138  C     
28   C        24.7228   24.2263   25.8364  C     
29   C        27.4680   31.9555   26.7531  C     
30   C        26.5571   32.8342   25.8703  C     
31   C        28.5046   32.7779   27.5364  C     
32   N        26.8640   26.9275   25.5532  N     
33   N        23.3530   23.7449   26.0685  N     
34   H        25.2047   26.2972   27.6492  H     
35   H        25.6464   32.4923   29.0222  H     
36   H        24.2503   28.1210   30.2942  H     
37   H        22.7440   27.4720   27.0544  H     
38   H        22.5443   26.9139   31.2277  H     
39   H        20.5027   25.6782   30.9575  H     
40   H        20.7260   26.2272   26.7809  H     
41   H        20.4242   22.4913   29.7695  H     
42   H        19.4463   21.2843   28.9164  H     
43   H        18.6667   22.4064   30.0208  H     
44   H        19.4156   23.6159   26.1451  H     
45   H        19.6264   21.9388   26.6242  H     
46   H        20.9135   23.1121   26.9451  H     
47   H        25.9311   26.7927   23.8197  H     
48   H        24.1283   26.3512   25.5447  H     
49   H        24.1466   25.3580   24.1025  H     
50   H        26.6556   24.7372   23.0415  H     
51   H        28.0421   25.3338   23.9380  H     
52   H        27.5985   22.9103   24.3514  H     
53   H        27.5091   23.8552   25.8424  H     
54   H        25.1183   22.8929   24.1560  H     
55   H        25.6196   22.2470   25.7239  H     
56   H        25.1743   24.3732   26.8168  H     
57   H        28.0236   31.3021   26.0750  H     
58   H        25.9025   32.2035   25.2705  H     
59   H        27.1596   33.4395   25.1881  H     
60   H        25.9358   33.4888   26.4868  H     
61   H        27.9954   33.4600   28.2195  H     
62   H        29.1086   33.3537   26.8360  H     
63   H        29.1615   32.1196   28.1104  H     
64   H        27.6289   27.3336   25.1131  H     
65   H        22.7372   24.0356   25.3049  H     
66   H        23.0012   24.1391   26.9441  H     
67   H        23.3515   22.7251   26.1363  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   32 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   29 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   23   24 1
    28   23   25 1
    29   23   32 1
    30   24   28 1
    31   25   26 1
    32   26   27 1
    33   27   28 1
    34   28   33 1
    35   29   30 1
    36   29   31 1
    37    2   34 1
    38    6   35 1
    39    7   36 1
    40    9   37 1
    41   10   38 1
    42   11   39 1
    43   13   40 1
    44   18   41 1
    45   18   42 1
    46   18   43 1
    47   19   44 1
    48   19   45 1
    49   19   46 1
    50   23   47 1
    51   24   48 1
    52   24   49 1
    53   25   50 1
    54   25   51 1
    55   26   52 1
    56   26   53 1
    57   27   54 1
    58   27   55 1
    59   28   56 1
    60   29   57 1
    61   30   58 1
    62   30   59 1
    63   30   60 1
    64   31   61 1
    65   31   62 1
    66   31   63 1
    67   32   64 1
    68   33   65 1
    69   33   66 1
    70   33   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2778
  Crash		| -7.3039
  Polar		| 3.8562
  FragIndex	| 1
  FragRMSD	| 0.848