
     RDKit          3D

 96 96  0  0  0  0  0  0  0  0999 V2000
    4.7288    3.2608    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928    1.9554   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    0.7712    0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642    1.8193   -0.5289 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3364    2.9717   -1.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489    3.4109   -2.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0617    3.5415   -1.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174    3.7543   -0.0116 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1198    4.5823    1.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634    5.8243    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    5.0432    2.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758    2.4608    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1094    2.0005    1.6249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321    1.7849   -0.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    1.7728   -1.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575    1.1842    0.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6300    2.1868    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0806    2.9106   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700    3.2230    1.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9147   -0.1386   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178   -0.1799   -0.9941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357   -1.3214    0.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338   -2.6319    0.0597 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0623   -3.1944    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2966   -2.7021   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2305   -2.8904    2.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5772   -3.5405    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -3.5767    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -4.4508   -0.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577   -5.8484   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4188   -4.0111   -1.8604 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4329   -4.0636   -3.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -2.6684   -1.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -1.6076   -1.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -2.6089   -1.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930   -1.9932   -0.6253 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2911   -2.8386    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -4.2951    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531   -2.2537    1.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.5481   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -0.2843    0.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5775    0.5214   -1.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    0.2462   -2.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    3.2912    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    4.1440   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243    3.3412    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    1.9624   -1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460   -0.1682   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590    0.6625    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9974    0.9121    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    1.8594    0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    4.3831   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    3.9555    1.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    6.4181    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987    5.5340   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867    6.4659   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255    5.5912    2.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    5.7164    1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437    4.1827    2.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932    2.8109   -2.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454    1.2542   -2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540    1.2627   -2.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0853    0.9045    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5043    1.6109    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847    3.5874   -0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516    2.1916   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9848    3.5196   -0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    3.9031    1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    2.7190    2.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1614    3.8320    2.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -2.5954   -1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0456   -4.3002    0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5066   -1.6331    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1592   -2.8330   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1836   -3.2998    0.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3374   -1.7972    2.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -3.2581    2.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1357   -3.4043    2.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356   -6.4975   -0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -6.2402    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0932   -5.9079    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799   -4.7337   -2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -3.2088   -2.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0169   -5.0083   -2.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957   -4.0444   -3.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636   -2.0071   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367   -2.8456    1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867   -4.7501   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772   -4.3470    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -4.9033    1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2152   -2.1746    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953   -2.9025    2.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7899   -1.2474    2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -0.5123   -2.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449    1.1454   -3.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -0.1194   -3.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 16 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 23 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 36 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 42  4  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  1
  8 52  1  6
  9 53  1  0
 10 54  1  0
 10 55  1  0
 10 56  1  0
 11 57  1  0
 11 58  1  0
 11 59  1  0
 15 60  1  0
 15 61  1  0
 15 62  1  0
 16 63  1  1
 17 64  1  0
 18 65  1  0
 18 66  1  0
 18 67  1  0
 19 68  1  0
 19 69  1  0
 19 70  1  0
 23 71  1  6
 24 72  1  0
 25 73  1  0
 25 74  1  0
 25 75  1  0
 26 76  1  0
 26 77  1  0
 26 78  1  0
 30 79  1  0
 30 80  1  0
 30 81  1  0
 31 82  1  6
 32 83  1  0
 32 84  1  0
 32 85  1  0
 36 86  1  6
 37 87  1  0
 38 88  1  0
 38 89  1  0
 38 90  1  0
 39 91  1  0
 39 92  1  0
 39 93  1  0
 43 94  1  0
 43 95  1  0
 43 96  1  0
M  END
$$$$
