cxy0549
     RDKit          3D

 95 98  0  0  1  0  0  0  0  0999 V2000
   -0.8080    3.2523   -0.2594 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5108    2.5878   -2.6782 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.5844   -1.1986    2.4061 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4354    1.3302    2.2931 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.6710    2.6606    1.1728 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3506    2.1200   -1.1828 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9657    0.1348    1.7083 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9778    2.6771    2.9430 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.7205    1.4552    0.9754 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.5180    1.8171    0.2134 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3396    0.7162   -0.8584 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.1155    2.6489   -3.4450 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.6203    4.3467   -2.1602 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.0218   -0.8193    1.3701 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2907   -0.1925   -0.2577 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9836    0.2346   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0036    1.2817   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1892    0.2293    0.8941 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6543   -0.5116    0.6042 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.1325    0.5453   -0.3505 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.2651    2.7748   -2.3298 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3486   -0.7548    1.8146 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6109   -0.0555    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -0.0070   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8764    0.2929   -1.0173 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4816   -0.3263    1.3792 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.9363   -0.6717   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7081    1.6700   -3.0537 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.9316   -0.1627   -1.3282 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.3232    1.7450   -2.1871 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.4382    1.0284    1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3124    0.0752    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442    0.7755   -0.3323 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0282   -0.9126   -1.8360 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.3893   -1.6945   -1.5566 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0427    0.5697   -3.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -0.8411   -2.3714 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.3741    1.9335   -0.4167 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.0490    0.4378   -2.0637 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.5812    1.2944   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3062    1.2079    0.8090 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.8030    0.5693    0.6939 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8648    0.8355    0.1194 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5232   -0.9760   -3.3115 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2344   -1.8797   -1.5412 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8733    0.0127    3.6096 C   0  0  0  0  0  1  0  0  0  0  0  0
   18.5500   -0.8599    0.7795 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.5161   -1.8602    1.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9819   -2.4288   -0.3437 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0650   -0.6169   -2.5981 C   0  0  0  0  0  2  0  0  0  0  0  0
  -20.2921    1.9198    2.0033 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.2061    0.4351    0.4481 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5111    0.0219   -1.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740   -0.7736    0.8862 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.5692   -2.0970   -2.5277 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.0917   -0.7782    1.8726 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.1127    0.2383    1.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1829    1.8483    2.8307 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.7228   -2.2354    1.2590 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.0756    0.3722    1.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8483    1.4585    1.5701 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.9464   -1.4545   -0.1928 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.0801    1.0789    2.4646 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8733   -0.4210    0.8600 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0493   -3.7246    1.6969 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.4749   -2.8912    0.1460 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.0127   -5.9421    1.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840    0.9052    0.7109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9110    2.1911   -1.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6907    0.8002   -0.5609 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8619    0.3359    0.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795    2.2324    1.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -0.3777   -0.8546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1817   -0.0083   -1.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1377    1.0779   -0.2418 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9445    0.6469   -4.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4946    1.5332    0.0153 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.7860   -1.9636    0.6001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6251   -1.2175   -0.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6353   -2.8706    0.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4918   -0.9370    2.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1027   -1.6886   -0.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0446    1.4427   -3.3233 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.6152    0.0127    1.6171 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8835   -1.5521   -1.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7352   -1.2297   -1.5151 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.7149    1.0196   -0.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5774    2.9810    1.5713 S   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3964    0.7798   -2.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9232    0.2688    2.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2514   -5.1197    2.1991 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7603   -0.4044    1.4645 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.3900   -7.0554    1.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4098   -5.5720    0.0795 N   0  0  0  0  0  1  0  0  0  0  0  0
   21.2139    2.4785    2.1558 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  2  6  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
  6 11  1  0
  7  3  1  0
  7  4  1  0
  7 18  1  0
  9 71  1  0
 11 24  1  0
 11 74  1  0
 12 21  1  0
 13 21  1  0
 14 22  2  0
 14 23  1  0
 15 23  1  0
 15 73  1  0
 16 68  2  0
 16 73  1  0
 16 74  1  0
 17 69  2  0
 17 75  1  0
 18 26  1  0
 19 27  1  0
 20 10  1  0
 20 29  1  0
 20 71  1  0
 22 32  1  0
 23 33  2  0
 24 70  1  0
 24 79  2  0
 25 17  1  0
 25 34  1  0
 25 70  1  0
 26 19  1  0
 26 81  1  0
 27 71  1  0
 27 82  2  0
 29 39  1  0
 29 85  1  0
 30 21  1  0
 30 40  1  0
 30 83  1  0
 31 42  1  0
 31 72  2  0
 31 84  1  0
 32 43  2  0
 32 84  1  0
 33 43  1  0
 34 44  1  0
 34 45  1  0
 35 49  1  0
 35 50  1  0
 36 50  1  0
 36 76  2  0
 36 83  1  0
 37 74  1  0
 38 75  1  0
 39 28  1  0
 39 53  1  0
 40 77  1  0
 40 87  2  0
 41 51  2  0
 41 52  1  0
 42 54  1  0
 42 77  1  0
 46 81  1  0
 47 57  2  0
 47 78  1  0
 48 56  1  0
 48 78  2  0
 48 80  1  0
 49 80  1  0
 51 58  1  0
 52 60  2  0
 53 86  1  0
 53 89  2  0
 54 59  1  0
 55 85  1  0
 56 90  2  0
 57 61  1  0
 57 90  1  0
 58 63  2  0
 59 65  1  0
 60 63  1  0
 60 64  1  0
 61 88  1  0
 62 64  1  0
 62 66  1  0
 62 86  1  0
 64 92  1  0
 65 91  1  0
 67 91  1  0
 67 93  2  0
 67 94  1  0
 75 18  1  0
 95 88  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   6   2   7   2   8   2
M  RAD  8   9   3  10   3  11   2  12   2  13   2  14   2  15   3  18   2
M  RAD  8  19   3  20   2  21   2  22   2  25   2  26   2  28   2  29   2
M  RAD  8  30   2  33   2  34   2  35   3  37   2  38   2  39   2  41   2
M  RAD  8  42   2  43   2  44   2  45   2  46   2  47   2  49   3  50   3
M  RAD  8  51   2  52   2  54   3  55   2  56   2  58   2  59   3  61   3
M  RAD  8  62   2  63   2  64   2  65   3  66   2  70   2  77   2  83   2
M  RAD  6  84   2  86   2  91   2  92   2  94   3  95   2
M  END
$$$$
