@<TRIPOS>MOLECULE
BindingDB_11430
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.7630   29.1665   28.5290  C     
2    C        25.4107   28.0912   28.0238  C     
3    C        26.5108   28.2143   27.1868  C     
4    C        26.4662   30.5319   27.6260  C     
5    C        26.8304   31.8662   27.6742  C     
6    C        25.8748   32.4618   28.4892  C     
7    N        23.6029   29.0345   29.2033  N     
8    C        22.5970   28.1369   28.9836  C     
9    C        21.6732   27.9035   30.0279  C     
10   C        22.4199   27.4255   27.7697  C     
11   C        21.4120   26.4576   27.6339  C     
12   C        20.5488   26.1756   28.7096  C     
13   C        20.6758   26.9146   29.9040  C     
14   S        19.3843   24.8927   28.5314  S     
15   O        18.4585   24.6544   29.8039  O     
16   O        18.4072   25.4103   27.3873  O     
17   N        20.1356   23.4496   28.0555  N     
18   C        19.5846   22.7052   26.9584  C     
19   C        20.9720   22.7890   29.0164  C     
20   N        25.3576   30.3733   28.3909  N     
21   N        27.0226   29.4612   26.9803  N     
22   N        25.0042   31.5195   28.8996  N     
23   N        27.0735   27.1703   26.5264  N     
24   C        26.9500   25.7307   26.7057  C     
25   C        27.9757   25.0789   25.7209  C     
26   C        25.5741   25.0045   26.4651  C     
27   C        25.0645   25.2934   25.0315  C     
28   C        26.0780   24.8024   23.9554  C     
29   C        27.5393   25.2634   24.2367  C     
30   N        26.0165   23.3379   23.8151  N     
31   C        27.8521   32.4215   27.0964  C     
32   N        28.7579   32.9097   26.5862  N     
33   H        25.0637   27.2028   28.1839  H     
34   H        25.8260   33.4520   28.7344  H     
35   H        23.4549   29.6489   29.9392  H     
36   H        21.7592   28.4079   30.9137  H     
37   H        23.0174   27.6138   26.9624  H     
38   H        21.3264   25.9517   26.7496  H     
39   H        20.0608   26.7225   30.6978  H     
40   H        18.6235   22.2813   27.2517  H     
41   H        20.2405   21.8894   26.6540  H     
42   H        19.4413   23.3468   26.0904  H     
43   H        21.5485   23.5064   29.6078  H     
44   H        21.6872   22.1299   28.5240  H     
45   H        20.3583   22.1960   29.6961  H     
46   H        27.7074   27.4394   25.8439  H     
47   H        27.2678   25.5063   27.7277  H     
48   H        28.9669   25.5190   25.8581  H     
49   H        28.0731   24.0106   25.9359  H     
50   H        25.7264   23.9244   26.5610  H     
51   H        24.8005   25.2230   27.2168  H     
52   H        24.0979   24.8078   24.8803  H     
53   H        24.9112   26.3697   24.9225  H     
54   H        25.7731   25.2219   22.9955  H     
55   H        27.6268   26.3216   23.9741  H     
56   H        28.2297   24.7159   23.5885  H     
57   H        26.5168   23.0532   22.9715  H     
58   H        25.0401   23.0426   23.7420  H     
59   H        26.4501   22.8941   24.6284  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   31 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   30 1
    35   31   32 3
    36    2   33 1
    37    6   34 1
    38    7   35 1
    39    9   36 1
    40   10   37 1
    41   11   38 1
    42   13   39 1
    43   18   40 1
    44   18   41 1
    45   18   42 1
    46   19   43 1
    47   19   44 1
    48   19   45 1
    49   23   46 1
    50   24   47 1
    51   25   48 1
    52   25   49 1
    53   26   50 1
    54   26   51 1
    55   27   52 1
    56   27   53 1
    57   28   54 1
    58   29   55 1
    59   29   56 1
    60   30   57 1
    61   30   58 1
    62   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9062
  Crash		| -2.1763
  Polar		| 4.4630
  FragIndex	| 1
  FragRMSD	| 0.214