@<TRIPOS>MOLECULE
BindingDB_11455
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.9729  133.3866   34.4919  C     
2    C        35.6384  134.1054   33.4831  C     
3    C        35.7374  135.5183   33.5287  C     
4    C        35.1036  136.1945   34.5969  C     
5    C        34.4649  135.4795   35.6278  C     
6    C        34.4026  134.0692   35.5851  C     
7    N        36.3623  136.2956   32.6028  N     
8    C        37.2920  135.9733   31.6803  C     
9    C        38.2880  135.0793   31.9055  C     
10   C        39.2018  134.7675   30.8941  C     
11   C        38.2390  136.4321   29.5543  C     
12   C        36.9380  137.9500   28.8631  C     
13   N        39.1738  135.4718   29.7266  N     
14   N        37.3198  136.6716   30.5188  N     
15   N        36.5251  137.6055   30.0920  N     
16   N        38.0101  137.2274   28.5079  N     
17   S        33.6063  133.1605   36.8463  S     
18   O        32.7028  132.0455   36.1599  O     
19   O        34.7235  132.3764   37.6615  O     
20   N        40.0422  133.7284   31.1050  N     
21   C        40.9046  133.1301   30.1236  C     
22   C        40.1075  132.4043   28.9975  C     
23   C        39.4187  131.1025   29.4925  C     
24   C        40.4224  130.1237   30.1590  C     
25   C        41.2438  130.8229   31.2820  C     
26   C        41.9043  132.1488   30.8103  C     
27   N        41.3025  129.5206   29.1438  N     
28   C        32.6441  134.1263   37.9372  C     
29   C        31.0797  135.7430   39.6593  C     
30   C        30.5194  135.2251   38.4746  C     
31   C        31.3002  134.4285   37.6198  C     
32   C        33.1951  134.6516   39.1278  C     
33   C        32.4187  135.4557   39.9849  C     
34   H        34.9171  132.3656   34.4184  H     
35   H        35.9825  133.5726   32.6840  H     
36   H        35.1220  137.2172   34.6460  H     
37   H        34.0560  135.9999   36.4081  H     
38   H        36.1011  137.2276   32.6137  H     
39   H        38.3817  134.6413   32.7985  H     
40   H        36.4818  138.6455   28.2716  H     
41   H        40.0096  133.3065   31.9775  H     
42   H        41.4906  133.9303   29.6666  H     
43   H        39.3438  133.0664   28.5841  H     
44   H        40.7909  132.1659   28.1778  H     
45   H        38.6416  131.3598   30.2170  H     
46   H        38.9337  130.6039   28.6505  H     
47   H        39.8585  129.2996   30.6056  H     
48   H        40.5779  131.0341   32.1220  H     
49   H        42.0197  130.1408   31.6374  H     
50   H        42.7057  131.9098   30.1047  H     
51   H        42.3663  132.6367   31.6760  H     
52   H        40.7256  129.0361   28.4564  H     
53   H        41.9209  128.8414   29.5865  H     
54   H        41.8559  130.2404   28.6824  H     
55   H        30.5186  136.3393   40.2717  H     
56   H        29.5423  135.4333   38.2370  H     
57   H        30.8822  134.0701   36.7595  H     
58   H        34.1677  134.4587   39.3801  H     
59   H        32.8258  135.8354   40.8474  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   31 2
    33   28   32 1
    34   29   30 2
    35   29   33 1
    36   30   31 1
    37   32   33 2
    38    1   34 1
    39    2   35 1
    40    4   36 1
    41    5   37 1
    42    7   38 1
    43    9   39 1
    44   12   40 1
    45   20   41 1
    46   21   42 1
    47   22   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   27   54 1
    59   29   55 1
    60   30   56 1
    61   31   57 1
    62   32   58 1
    63   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8940
  Crash		| -1.9607
  Polar		| 2.6111
  FragIndex	| 1
  FragRMSD	| 0.699