
     RDKit          3D

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.6285   -1.7513    2.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762   -2.5420    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1252   -1.7925    0.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719   -2.3087   -0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5317   -1.9225   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030   -0.6502   -1.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    0.1917   -0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1306   -0.3282   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1763    0.5176   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9525    1.8869   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780    2.4163   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    1.5805   -0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214    2.1951   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    1.2814   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    1.9976    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514    1.0774    1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8369   -0.0408    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9495    0.6941   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825   -0.1905   -0.6404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588   -0.0050   -1.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784    0.0681   -2.9511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3322    0.0994   -1.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1146   -0.7972   -2.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4699   -0.7231   -2.4784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0904    0.2181   -1.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3570    1.1194   -1.0158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9966    1.0960   -1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2515    2.1678   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5855   -1.0108    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080   -1.6920    1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318   -0.7468    1.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226   -1.0130   -0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4026   -1.1667   -1.6212 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -1.2107    3.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -1.0414    2.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712   -2.4531    3.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6816   -3.4711    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0491   -2.8896    1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878   -3.4173   -1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215   -1.9397   -2.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -1.9000    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084   -2.6781   -1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3229   -1.3874   -0.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1636    0.1107   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7669    2.5374    0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245    3.4800   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1811    3.1790   -0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    2.3832   -1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249    0.6663    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7806    0.6243   -1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    2.8780    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508    2.3781   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    1.7368    1.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362    0.6554    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306    1.0935   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406    1.5628    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6465   -1.5690   -3.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1706    0.2581   -1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9377    3.0093   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4215    2.5650   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8474    1.7679    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813   -1.7886    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197   -0.3758    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804   -2.4601    0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7774   -2.2301    2.0337 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  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 19 29  1  0
 29 30  1  0
 30 31  1  0
 17 32  1  0
 32 33  2  0
 32  3  1  0
 12  7  1  0
 31 17  1  0
 27 22  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  2 38  1  0
  4 39  1  0
  4 40  1  0
  5 41  1  0
  5 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 11 46  1  0
 13 47  1  0
 13 48  1  0
 14 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 18 55  1  0
 18 56  1  0
 23 57  1  0
 25 58  1  0
 28 59  1  0
 28 60  1  0
 28 61  1  0
 29 62  1  0
 29 63  1  0
 30 64  1  0
 30 65  1  0
M  END
$$$$
