
     RDKit          3D

 79 82  0  0  0  0  0  0  0  0999 V2000
    5.0096   -3.0380    1.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582   -2.5799    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014   -3.6894    0.1444 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -3.5366   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116   -4.5381   -0.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -2.2371   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819   -1.4774   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -2.1867   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289   -2.9262    0.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -2.0442   -1.1029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757   -2.4521   -0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508   -1.4914   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910   -0.0938   -0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5664    0.9216    0.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245    2.2959   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6893    2.6389   -1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9994    2.9006   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8340    1.6381   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0408    0.3646    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    0.6056    1.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -1.2690    1.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5407   -0.0203    1.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764   -0.0300    2.6928 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    1.2785    1.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    1.6050    1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6323    2.8723    0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    3.8218    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    3.5038    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928    2.2304    0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549    1.9124    0.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865    0.9965   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    0.3227    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4449    1.2819    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040    0.9688   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -0.4702   -1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513   -0.7818   -0.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0575   -2.0991   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655   -2.9012   -1.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481   -3.3834    2.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6777   -3.8754    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -2.2044    2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -1.7492    0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -4.6672    0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052   -2.4533   -1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462   -1.5900   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009   -0.4971   -0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596   -1.6006   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441   -2.4659   -1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2301   -3.4848   -0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9613   -1.9223    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4383   -1.4124    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7463   -0.1465   -1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0873    0.2176   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713    2.4520   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933    3.0205    0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150    3.5760   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8262    1.8621   -2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7936    3.4273    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6239    3.5950   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5319    1.8620    0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4634    1.4232   -1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7840   -0.1724   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7270   -0.3159    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6179   -0.2962    1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0038    1.4121    1.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803   -2.1109    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879    0.8886    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    3.1235    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0148    4.8042   -0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    4.2373    0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353    0.2221   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    1.5333   -1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -0.0326    1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    2.3517    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    1.0618    1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    1.6478   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    1.0919   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362   -0.5723   -2.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685   -1.1542   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37  2  1  0
 20 14  1  0
 29 24  1  0
 36 32  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
 10 47  1  0
 11 48  1  0
 11 49  1  0
 12 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 21 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 28 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
M  END
$$$$
