CHH0172
     RDKit          3D

 73 78  0  0  1  0  0  0  0  0999 V2000
   -5.1516    3.0150    1.3397 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.8169    1.5119   -0.6782 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8748    1.6592    0.5856 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2372   -4.0366    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0564   -3.6522   -1.7421 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3709    0.4943    1.2860 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0560   -2.7124    0.7082 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3587   -0.5654    1.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0610   -2.6913   -1.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0872   -2.2329   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7814   -3.0923    1.9504 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5948   -0.5334    2.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0163   -2.2056   -2.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6814   -3.5781    3.1320 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9221   -0.6135    4.3337 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2326   -0.2567    2.9774 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0824   -1.2397   -0.1591 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.8932   -0.6658   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305    0.2390    5.1916 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2645    1.5385    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7587   -0.3830   -2.9633 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1756    1.0799    3.9206 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8029    0.4772   -0.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5865    0.9973   -0.0502 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8242   -0.8271   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3334    0.6438   -2.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    0.7536    0.3209 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.5155   -0.0818    0.2530 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.6563    1.9507   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478   -0.2175   -0.4147 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5217    2.0307   -5.0522 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1758    1.3487   -0.9884 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.2252    1.6598   -2.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5398   -0.5752    0.2190 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5521    0.4377   -0.3696 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5527   -1.2493    0.5923 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8183    1.8363   -3.6915 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9520    2.2436   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6773   -1.6281    0.2612 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.8008   -2.4473    0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097    2.0815   -2.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5415    2.5045   -1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2728    3.0846    1.0109 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.3955   -0.3060    0.2323 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6900    0.1843   -0.0749 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.4251    3.5888   -1.4475 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.0169   -1.0101    0.3191 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.8714   -0.7901    0.1821 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1419    4.1625    0.8639 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7230    4.4171   -0.3706 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7352   -4.8158    1.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1683   -4.3358   -1.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.6825    0.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0649    0.4706    1.6653 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0395   -2.7207   -3.7969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3976   -0.3834    2.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872   -1.5534    2.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    2.7735    1.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8714   -1.1603   -2.2937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881    0.8277    2.7082 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358   -1.8300   -1.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2841    2.9096   -1.1677 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.0355   -0.3422    0.5896 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.1107    1.2191    0.1744 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6833   -2.7063    0.2619 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.7249    1.7492    0.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5672    0.3328    0.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    1.0725   -0.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    1.9893   -2.9156 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8583   -1.6528    0.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861    2.7261   -2.8228 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.3167   -3.2011    1.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2825    3.9649   -1.4787 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4  7  1  0
  4 51  2  0
  4 52  1  0
  5  9  1  0
  5 52  1  0
  6  3  1  0
  6  8  1  0
  6 54  1  0
  7 10  1  0
  7 11  1  1
  7 53  1  0
  8 53  1  0
  8 56  2  0
  9 10  2  0
  9 13  1  0
 10 17  1  0
 11 14  1  0
 12 54  1  0
 12 57  2  0
 13 55  2  0
 13 59  1  0
 15 16  1  0
 15 19  1  0
 16 12  1  0
 16 60  1  0
 17 18  2  0
 18 23  1  0
 18 59  1  0
 19 22  1  0
 20 27  1  0
 20 58  2  0
 20 60  1  0
 21 26  1  0
 21 59  1  0
 22 60  1  0
 23 26  2  0
 23 64  1  0
 24 28  1  0
 24 29  1  0
 25 30  1  0
 25 61  2  0
 25 63  1  0
 26 33  1  0
 27 32  1  0
 27 63  1  0
 28 36  1  0
 29 62  1  0
 29 66  2  0
 30 35  1  0
 31 37  1  0
 32 41  1  0
 33 37  1  0
 33 42  2  0
 34 39  1  0
 34 67  1  0
 35 68  1  0
 36 40  1  0
 38 42  1  0
 38 43  1  0
 38 64  2  0
 39 65  1  0
 40 65  1  0
 40 72  2  0
 41 69  2  0
 41 71  1  0
 42 46  1  0
 43 49  2  0
 44 47  1  0
 44 67  1  0
 45 48  1  0
 45 68  1  0
 46 50  2  0
 47 70  1  0
 48 70  1  0
 49 50  1  0
 62 73  1  0
M  RAD  8   1   2   2   2   3   2   5   3   6   2  11   3  14   2  15   3
M  RAD  8  16   2  17   2  19   3  21   3  22   3  24   3  27   2  28   3
M  RAD  8  30   3  31   2  32   3  34   3  35   3  36   3  37   3  39   3
M  RAD  8  43   2  44   3  45   3  46   2  47   3  48   3  49   2  50   2
M  RAD  6  54   2  62   2  63   2  65   2  71   2  73   2
M  END
$$$$
