
     RDKit          3D

 72 76  0  0  0  0  0  0  0  0999 V2000
    5.4679    2.5198    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    1.2977    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8619    0.7484    0.3144 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143   -0.3500   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -0.8696   -0.5118 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -0.9689   -1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743   -0.4626   -1.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333    0.7260   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    1.4057   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2226    2.7229   -0.9026 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    3.7649   -0.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    4.8931   -1.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0376    3.6037    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419    4.6359    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7004    4.1344    1.4505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943    2.8218    1.2824 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    2.4606    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367    1.9144    1.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6320    1.3764    0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    2.1708    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624    1.7171   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4944    0.4695   -0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5191   -0.0378   -1.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5690   -0.7553   -1.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6890   -0.2126   -0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3853   -1.2023   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6089   -2.3368   -0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5032   -2.0393   -0.9234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970   -0.3292   -0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635    0.1156    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -0.6883    0.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.5440    1.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409   -2.9796    1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605   -3.5260    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -3.3924   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -3.5301   -1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -3.1358   -1.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616   -1.6327   -1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771   -1.1700   -1.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436    2.3808    2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.4109    0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3999    2.7063    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2169   -0.4071    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.7062   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647   -1.8577   -1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539    1.4965    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    0.8312   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0040    2.9266   -1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906    5.6883    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5203    1.4439    0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735    1.0996    2.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1779    2.4538    2.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8733    3.1448    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5135    2.3391   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9609    0.8084   -2.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0430   -0.7168   -2.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9739    0.8280   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3265   -1.1092    0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8328   -3.3185    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680   -1.2984   -1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514   -1.1497    2.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666   -1.5520    2.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -3.0066    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -3.6498    2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -2.9820   -0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329   -4.5985   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116   -3.0892    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -3.8365   -2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -3.7072   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -3.3818   -2.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -1.0999   -1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436   -1.4263   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 22 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
  8  2  1  0
 17 13  2  0
 30 19  1  0
 39  7  1  0
 28 24  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  5 43  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 14 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 20 53  1  0
 21 54  1  0
 23 55  1  0
 23 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 29 60  1  0
 32 61  1  0
 32 62  1  0
 33 63  1  0
 33 64  1  0
 34 65  1  0
 34 66  1  0
 35 67  1  0
 36 68  1  0
 37 69  1  0
 37 70  1  0
 38 71  1  0
 38 72  1  0
M  END
$$$$
