CHH0164
     RDKit          3D

 97100  0  0  1  0  0  0  0  0999 V2000
   15.8706    1.7136   -1.5817 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3950    1.0531   -2.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5157    0.9765   -0.4223 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.3194   -0.6993   -3.5960 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.9283    1.2430   -2.0612 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2260    3.0189   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8272   -0.2368   -0.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7698   -0.7083   -3.1409 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1315    0.0352   -2.9391 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5841    2.3108   -1.1034 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.6958    2.1945    1.6690 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.8289    2.0125    4.3717 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.2471   -1.8088    0.5793 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3939   -4.6189    1.9907 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9649   -6.9068    2.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5502    0.7923    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966   -0.5117    0.0630 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.0875    2.3973    3.0022 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.3529   -3.2431    1.2069 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0950    3.6442    3.3081 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.0591   -0.4661   -1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508   -0.0261   -1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103    0.8926   -1.8614 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5519   -1.3728   -2.0460 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5205    0.4920   -2.1923 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2488   -1.7899   -2.3829 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2250   -0.8440   -2.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9484    3.2540   -1.4040 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.7170    3.8812   -1.2633 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.2638    0.2722    3.0912 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.0497    2.3516   -0.4321 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7557    3.0285   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8668   -1.2276   -2.3639 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7454    1.7266    0.7431 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3273    4.3473   -0.0212 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.2741   -0.1992    1.5520 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6328    1.2176    4.4168 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.4887   -0.2096    0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3343    3.4854    0.9642 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1225    4.1288    1.1205 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1035   -0.8518    1.0357 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.7171    2.5745    1.6443 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2098   -0.9999   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4806    0.6667   -2.0672 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5502   -1.7559    2.2182 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.6072    0.3771    3.1106 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5031   -2.9694    1.9795 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.3149   -1.5140   -1.1971 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7529   -0.4399    1.9343 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4498   -0.3814   -0.2170 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.0345   -2.1077   -1.7702 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2114    0.4743    0.3240 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0673    0.7267    2.7390 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4368   -1.4907   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8701    0.1809    0.5986 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1296    1.2143    0.5927 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.3785   -1.0229   -0.8712 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3811   -0.1756    0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5489    0.9315    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027    1.0501    1.1989 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7019   -2.0019    0.5429 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7216    1.3608    0.4114 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7670    2.1802    0.6843 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9678   -3.4389    0.8508 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0995    0.0062   -1.8729 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0516   -4.3091    0.0977 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5861   -4.0852    2.2338 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9366    3.5472   -0.4632 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.8187    1.3765   -3.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2824    3.5786   -0.2971 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6387   -0.0312   -2.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6780    3.0624    1.2275 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.9491   -7.3320    1.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3480    0.6924    0.5570 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.5244   -1.2389   -0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5303   -5.8099    2.8800 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.3260   -7.7842    3.3704 N   0  0  0  0  0  1  0  0  0  0  0  0
   11.5267    0.0337    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728   -1.2063   -2.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0246    0.3877   -1.1838 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7332    2.3485   -1.5166 O   0  0  0  0  0  1  0  0  0  0  0  0
  -15.5394    0.4402    1.1278 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5612   -1.4685   -2.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5591   -1.9334    1.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4575   -0.8632   -0.4315 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9088    0.5202   -0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071   -1.4525    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826   -1.9640   -1.7549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012   -0.0146   -0.9040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.4930    0.7417 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.0059   -0.1386   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4322   -0.4924   -0.5766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.4937    1.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0985    2.4426   -0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2351    1.6391    1.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0988    1.4357    1.1607 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.7933    1.4239    1.8431 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2 69  2  0
  2 71  1  0
  3  7  1  0
  3 96  1  0
  3  1  1  0
  4  8  1  0
  4  9  1  0
  5  9  1  0
  5 10  1  0
  6 10  1  0
  6 70  2  0
  6 72  1  0
  7 71  1  0
  7 75  2  0
  8 71  1  0
 11 16  1  0
 11 18  1  0
 11 72  1  0
 12 18  1  0
 13 17  1  0
 13 19  1  0
 14 19  1  0
 14 76  1  0
 15 73  2  0
 15 76  1  0
 15 77  1  0
 16 74  1  0
 16 78  2  0
 17 21  1  0
 17 74  1  0
 18 20  1  0
 21 79  2  0
 21 80  1  0
 22 23  2  0
 22 24  1  0
 22 80  1  0
 23 25  1  0
 24 26  2  0
 25 27  2  0
 26 27  1  0
 27 33  1  0
 28 29  2  0
 28 32  1  0
 29 35  1  0
 31 32  1  0
 31 34  1  0
 31 81  1  0
 32 39  2  0
 33 83  1  0
 34 42  1  0
 34 82  1  0
 35 40  2  0
 36 30  1  0
 36 38  1  0
 36 41  1  0
 37 46  1  0
 38 82  1  0
 38 85  2  0
 39 40  1  0
 41 50  1  0
 41 84  1  0
 43 83  1  0
 43 87  2  0
 43 89  1  0
 44 89  1  0
 46 49  1  0
 47 84  1  0
 48 50  1  0
 48 51  1  0
 49 45  1  0
 49 55  1  0
 50 86  1  6
 50 91  1  0
 51 57  1  0
 52 58  1  0
 52 60  1  0
 52 89  1  0
 53 60  1  0
 54 61  1  0
 54 88  2  0
 54 92  1  0
 55 62  1  0
 55 92  1  0
 56 59  1  0
 56 62  1  0
 57 91  1  0
 58 90  1  0
 58 93  2  0
 59 91  1  0
 59 95  2  0
 60 63  1  0
 61 64  1  0
 61 90  1  0
 62 94  1  0
 64 66  1  0
 64 67  1  0
 65 92  1  0
 68 94  1  0
 96 97  1  0
M  RAD  8   1   3   3   2   4   3   5   3   8   3   9   3  10   3  11   2
M  RAD  8  12   2  13   3  14   3  17   2  18   2  19   3  20   2  23   2
M  RAD  8  24   2  25   2  26   2  28   2  29   2  30   2  31   2  33   3
M  RAD  8  34   2  35   2  36   2  37   2  39   2  40   2  41   2  42   2
M  RAD  8  44   2  45   2  46   3  47   2  48   3  49   2  51   3  52   2
M  RAD  8  53   2  55   2  56   3  57   3  60   2  61   2  62   2  63   2
M  RAD  8  64   2  65   2  66   2  67   2  68   2  72   2  74   2  76   2
M  RAD  6  77   3  80   2  81   2  82   2  90   2  97   2
M  END
$$$$
