@<TRIPOS>MOLECULE
BindingDB_50261154
 66 69 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.8623   65.3443   86.1086  N     
2    C         1.3315   65.3160   84.8271  C     
3    N         1.0089   64.2583   84.0174  N     
4    C         0.1155   64.3779   86.6105  C     
5    C        -0.2283   63.2808   85.8155  C     
6    C         0.2471   63.2374   84.4979  C     
7    C        -0.1534   62.0086   83.9886  C     
8    N        -0.8538   61.3920   84.9609  N     
9    N        -0.9086   62.1360   86.0303  N     
10   C         0.1151   61.3473   82.7028  C     
11   C         0.7090   62.2131   81.5619  C     
12   C        -1.5946   61.7453   87.2199  C     
13   O        -0.1852   64.4204   87.7973  O     
14   C         2.1718   66.3202   84.3140  C     
15   C         3.5556   66.3129   84.6150  C     
16   C         4.3800   67.2384   83.9339  C     
17   C         3.8415   68.1718   83.0201  C     
18   C         2.4605   68.1906   82.7425  C     
19   C         1.6238   67.2837   83.4270  C     
20   O         4.1602   65.3411   85.3524  O     
21   C         4.2455   65.5015   86.7869  C     
22   C         5.4646   64.6995   87.3141  C     
23   S         1.8145   69.3296   81.5957  S     
24   N         2.3543   70.8705   81.9791  N     
25   O         2.3576   68.9479   80.1569  O     
26   O         0.2246   69.3502   81.4892  O     
27   C         3.4233   71.4976   81.2656  C     
28   C         1.2649   61.3380   80.4144  C     
29   C         3.7898   72.8776   81.8878  C     
30   N         2.7333   73.8439   82.0341  N     
31   C         1.4879   73.7023   81.5570  C     
32   C         0.5293   73.3059   82.5104  C     
33   C        -0.7628   72.9592   82.1025  C     
34   C        -1.1552   73.1409   80.7590  C     
35   C        -0.2139   73.5851   79.8109  C     
36   C         1.1200   73.8129   80.1862  C     
37   H         1.1225   66.0842   86.6688  H     
38   H         0.7995   60.5038   82.8922  H     
39   H        -0.8281   60.9241   82.3538  H     
40   H        -0.0652   62.8695   81.1734  H     
41   H         1.5313   62.8329   81.9593  H     
42   H        -0.8817   61.6954   88.0383  H     
43   H        -2.0578   60.7660   87.1020  H     
44   H        -2.3716   62.4742   87.4478  H     
45   H         5.3997   67.2459   84.0979  H     
46   H         4.4835   68.8033   82.5114  H     
47   H         0.6222   67.2840   83.2349  H     
48   H         4.3533   66.5802   87.1188  H     
49   H         3.3414   65.1190   87.2500  H     
50   H         5.4899   63.6916   86.8397  H     
51   H         5.4215   64.5610   88.4037  H     
52   H         6.3937   65.2216   87.0600  H     
53   H         2.1183   71.2340   82.8522  H     
54   H         4.3065   70.8417   81.3145  H     
55   H         3.1596   71.6172   80.2117  H     
56   H         2.1386   60.7871   80.7597  H     
57   H         1.5494   61.9515   79.5653  H     
58   H         0.5008   60.6335   80.0988  H     
59   H         4.1503   72.6394   82.8811  H     
60   H         4.6227   73.3142   81.3179  H     
61   H         2.8597   74.5169   82.7620  H     
62   H         0.8182   73.1567   83.4767  H     
63   H        -1.4010   72.5735   82.7915  H     
64   H        -2.1208   72.9344   80.4988  H     
65   H        -0.5278   73.7300   78.8360  H     
66   H         1.8007   74.1177   79.4677  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    2    3 2
     4    2   14 1
     5    3    6 1
     6    4    5 1
     7    4   13 2
     8    5    6 2
     9    5    9 1
    10    6    7 1
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    9   12 1
    15   10   11 1
    16   11   28 1
    17   14   15 2
    18   14   19 1
    19   15   16 1
    20   15   20 1
    21   16   17 2
    22   17   18 1
    23   18   19 2
    24   18   23 1
    25   20   21 1
    26   21   22 1
    27   23   24 1
    28   23   25 2
    29   23   26 2
    30   24   27 1
    31   27   29 1
    32   29   30 1
    33   30   31 1
    34   31   32 2
    35   31   36 1
    36   32   33 1
    37   33   34 2
    38   34   35 1
    39   35   36 2
    40    1   37 1
    41   10   38 1
    42   10   39 1
    43   11   40 1
    44   11   41 1
    45   12   42 1
    46   12   43 1
    47   12   44 1
    48   16   45 1
    49   17   46 1
    50   19   47 1
    51   21   48 1
    52   21   49 1
    53   22   50 1
    54   22   51 1
    55   22   52 1
    56   24   53 1
    57   27   54 1
    58   27   55 1
    59   28   56 1
    60   28   57 1
    61   28   58 1
    62   29   59 1
    63   29   60 1
    64   30   61 1
    65   32   62 1
    66   33   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8622
  Crash		| -1.4387
  Polar		| 3.0203
  FragIndex	| 1
  FragRMSD	| 0.582