
     RDKit          3D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.5435    2.7822    2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    3.0438    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551    1.8047    0.2349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019    1.5716   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    1.3502   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290    0.2963    0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -0.7391    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1700   -0.4279   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1313   -1.4284   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119   -2.7511   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5221   -3.0847    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227   -2.1025    0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -2.5764    0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -1.5893    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5790   -2.0530    0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -1.1819   -0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6426    0.2864   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    0.2259    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1264    0.3853   -0.4963 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1631   -0.6038   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593   -1.7702   -0.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6220   -0.2756   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7657    0.8854    0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2818    0.1558   -1.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3175   -1.4440    0.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9385   -1.8782    1.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    1.4759   -1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479    2.0897   -1.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866    1.0542   -1.4632 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    0.9339    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    0.7127    1.9262 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791    2.1717    2.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    2.2623    1.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    3.7503    2.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    3.7726    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    3.5226    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    2.4464   -1.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7989    0.7032   -1.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870    2.2816   -0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    1.0917   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    0.5972   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1330   -1.1753   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5618   -3.5237   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956   -4.1207    0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998   -2.7114    1.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9113   -3.5587    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -0.7694    1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910   -1.2776   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362   -3.1074   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520   -2.0149    1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2615   -1.1547   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1896   -1.7477   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1359    1.0540    1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549   -0.7151    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4603    1.8562    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8246    0.9816    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1344    0.7100    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2060   -0.6568   -2.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3611    0.3741   -1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8018    1.0655   -2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2261   -2.9439    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8430   -1.8111    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4900   -1.3018    2.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337    1.0732   -2.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7984    2.2571   -1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5104    2.7317   -2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5161    2.7391   -0.5427 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  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
 20 21  2  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 19 27  1  0
 27 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  2  0
 30  3  1  0
 12  7  1  0
 29 17  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  8 41  1  0
  9 42  1  0
 10 43  1  0
 11 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 18 53  1  0
 18 54  1  0
 23 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  0
 24 59  1  0
 24 60  1  0
 26 61  1  0
 26 62  1  0
 26 63  1  0
 27 64  1  0
 27 65  1  0
 28 66  1  0
 28 67  1  0
M  END
$$$$
