
     RDKit          3D

 69 72  0  0  0  0  0  0  0  0999 V2000
    8.0846    2.0511    1.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8347    1.3690    1.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5684    0.2245    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5544   -0.3548   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616   -1.4831   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912   -2.0561   -1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0045   -1.4930   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2771   -0.3484    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082    0.2269    1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5087    0.7562    2.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8274    0.1611    0.9562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    0.6179   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -0.2532   -0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607   -0.3525    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -0.7928    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825    0.0501    1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704    1.0297    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399    1.6667   -1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432    3.0698   -1.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8149    1.2523   -1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2283    1.8032   -2.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8105    1.6998   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    0.9134   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0169    1.3497   -1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2403    0.7166   -1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5942   -0.3683   -0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7244   -0.8230    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4765   -0.2189    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7578   -0.8401    1.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370   -0.7029    2.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -1.6509    1.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8924   -2.5253    2.1709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199   -1.6469    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758   -2.4295   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -1.4817   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455    2.4239    0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0043    2.9179    1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    1.3739    1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5502    0.0627   -0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0238   -1.9199   -1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7703   -2.9363   -1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -1.9606   -0.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    0.5548   -1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1288    1.6845   -0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -1.2732   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992    0.1114   -1.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9394   -1.8535    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854   -0.7196    2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.4432    2.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    1.0644    2.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928    0.9644    1.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.7667    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7663    1.3561   -1.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418    3.3706   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8658    0.1588   -1.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8113    1.2630   -3.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3927    1.7324    0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422    2.7748   -0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7784    2.1963   -1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9162    1.0703   -2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5458   -0.8612   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0244   -1.6716    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037   -1.0027    3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    0.3258    2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947   -3.3395   -0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7317   -2.7650   -1.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688   -1.8231   -0.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3406   -2.4603   -0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786   -1.2793   -1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
  8  3  1  0
 16 11  1  0
 28 23  1  0
 35 14  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  6 41  1  0
  7 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 24 59  1  0
 25 60  1  0
 26 61  1  0
 27 62  1  0
 30 63  1  0
 30 64  1  0
 34 65  1  0
 34 66  1  0
 34 67  1  0
 35 68  1  0
 35 69  1  0
M  END
$$$$
