CHH0016
     RDKit          3D

 52 57  0  0  1  0  0  0  0  0999 V2000
  -10.7250    5.0813   -3.6546 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.2258    3.7034   -3.1834 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8212    2.2929   -2.7038 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1671    0.0479   -0.5612 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.9720    1.7141   -0.7876 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.0956    2.3133    1.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5599    0.8641   -2.1869 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1399   -0.0017   -0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.0432   -0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284    0.0196    0.3961 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6856    1.2457   -1.1903 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0406    3.3943    1.6671 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3962   -0.4789   -1.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2653   -0.5898    0.0758 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4567   -1.8279    0.1518 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2650   -1.2497    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881   -1.3416   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978   -1.3339    1.5316 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.8856    3.2431   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.1496    0.7563 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6231    2.2482   -1.1367 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.5121    3.9213    0.4599 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.7470   -0.1697    0.1580 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8604   -1.2054    0.0570 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3862   -0.4974    2.2632 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7078    1.4426    2.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.2263   -0.1538 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5797   -2.6141   -1.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7925   -2.2452   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8577   -3.9812   -1.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2907   -3.2079    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5015   -2.8704    1.4987 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5938   -4.5501    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9531   -3.8681    2.2973 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0480   -5.5217    0.9258 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2291   -5.1957    1.9995 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.5800    1.5461    2.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9144    0.7880   -1.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1119    0.8416   -1.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9668    2.3612   -0.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3776    0.3761    2.9283 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0673    0.0144    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9740   -1.5014   -2.3310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6760   -0.8787   -0.6412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -2.3724    0.3059 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.2828   -2.1239    0.8140 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.2316    3.4240   -1.7830 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7685    2.6115    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7022   -4.4192   -2.9054 N   0  0  0  0  0  1  0  0  0  0  0  0
   -9.3627   -4.9187   -0.9394 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8270    4.1022    3.2049 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3818    4.9943    3.3176 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  7  1  0
  4 10  1  0
  4 11  1  0
  5 40  1  0
  6 12  1  0
  6 37  2  0
  6 40  1  0
  7 13  1  0
  8  9  1  0
  8 17  1  0
  8 38  2  0
  9 16  1  0
  9 39  2  0
 10 20  1  0
 11  5  1  0
 11 21  1  0
 12 51  1  0
 13 43  2  0
 13 44  1  0
 14 23  1  0
 14 24  1  0
 15 24  1  0
 15 45  1  0
 16 17  2  0
 16 46  1  0
 17 45  1  0
 18 25  1  0
 18 46  1  0
 19 22  1  0
 19 40  1  0
 19 47  2  0
 20 26  1  0
 20 27  1  0
 21 27  1  0
 22 12  1  0
 23 42  1  0
 25 41  1  0
 26 41  1  0
 26 48  2  0
 28 29  2  0
 28 30  1  0
 28 43  1  0
 29 31  1  0
 29 44  1  0
 30 49  1  0
 30 50  2  0
 31 32  2  0
 31 33  1  0
 32 34  1  0
 33 35  2  0
 33 50  1  0
 34 36  2  0
 35 36  1  0
 42 44  1  0
 51 52  1  0
M  RAD  8   1   2   2   3   3   3   4   3   5   3   7   3  10   3  11   2
M  RAD  8  12   2  14   3  15   3  18   3  20   2  21   3  22   3  23   3
M  RAD  8  24   3  25   3  27   3  32   2  34   2  35   2  36   2  41   2
M  RAD  4  45   2  46   2  49   3  52   2
M  END
$$$$
