
     RDKit          3D

 51 55  0  0  0  0  0  0  0  0999 V2000
   -3.4715    2.1874    2.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797    1.4289    1.8995 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6092    2.3528    1.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812    2.0034   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1754    0.9926   -0.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015    0.5850   -1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145    1.1854   -2.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903    2.2166   -2.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168    2.6609   -1.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509    3.7404   -1.1986 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.5146   -1.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050   -1.6136   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960   -2.4340   -1.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -1.8167   -2.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560   -2.2662   -2.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3947   -1.4562   -3.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734   -0.2171   -4.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    0.6375   -5.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6388    1.3248   -6.1293 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968    0.1886   -3.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641   -0.6523   -2.4398 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.8456    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814   -1.9975    0.4639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3033   -2.8788   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077   -1.4885    1.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -1.6887    1.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.7548    2.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.4533    3.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -0.7886    4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774    0.5835    4.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026    1.2327    5.8700 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626    1.2901    3.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4882    0.6313    2.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0434    3.0094    3.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1840    2.6369    1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0340    1.4933    3.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9251    0.7630    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475    0.8255   -3.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124    4.0913   -0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7842    4.1996   -2.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -3.2036   -2.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -1.7807   -4.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619    1.1684   -3.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175   -0.9858    1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -2.7607    1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -3.6888   -0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329   -2.2893   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -3.3595   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795   -2.5142    3.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -1.3363    5.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    2.3561    4.0574 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  0
 20 21  1  0
 12 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33  2  1  0
  9  4  2  0
 21 11  1  0
 33 27  1  0
 21 14  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  6
  7 38  1  0
 10 39  1  0
 10 40  1  0
 15 41  1  0
 16 42  1  0
 20 43  1  0
 22 44  1  0
 22 45  1  0
 24 46  1  0
 24 47  1  0
 24 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END
$$$$
