CHH0140
     RDKit          3D

115117  0  0  1  0  0  0  0  0999 V2000
    7.4121    4.9262    5.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992   -3.8521   -0.8539 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5873   -1.9761    2.5833 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5840   -4.3335    0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9935    2.9089    5.9766 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9930   -3.3631    2.1108 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2676    3.8667    5.6988 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0324    0.7152    2.3528 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8228   -0.6281    2.6166 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3583   -0.5907   -2.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837   -1.8116   -2.4215 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4497    3.5493    4.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    2.1796    2.3960 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6332    2.4674    5.8677 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1218    1.1368    6.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8145    3.1322    1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211    1.1942   -2.5702 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3608    1.8302   -2.0484 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6485   -0.3647   -4.2680 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7364   -3.3171    3.9495 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9080   -5.6553    2.7321 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4592   -1.0743   -4.1256 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7446    1.0892   -4.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2439   -1.1075    0.7693 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5834    5.8616   -0.7943 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8003   -1.0274    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2728    2.8965   -2.0213 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0685   -4.2884    2.7813 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2737    3.9906   -2.3610 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5788   -7.8828   -3.2618 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2525   -5.6707   -3.2842 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.3526   -0.4783   -3.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4846    1.6448   -3.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9119    0.0628    0.3585 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3076   -7.4771   -2.3675 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2949   -7.0247   -2.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -6.7876    2.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962   -4.3847    2.7408 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0496   -2.0368    3.2528 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1294   -1.2441   -3.3608 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3205    0.8936   -3.2949 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3037    4.9362   -2.0532 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3503    6.0800   -2.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581    4.7809   -2.6571 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2676    0.8426    0.1336 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8010    1.1022    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -6.9756   -1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073   -6.5196    0.8160 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8251   -3.2104    3.0858 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4409   -1.3684    2.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4068    3.7453   -2.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340    5.8079   -4.2053 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1292   -1.2945   -1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934    5.5238   -4.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    4.1971   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320   -0.9713    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541   -1.4111   -3.1512 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0792    1.7961   -0.0995 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2492    3.1109   -0.4272 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8490   -8.8148   -3.8597 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.1708   -5.9541    0.7335 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0474   -5.7677    4.6477 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7981   -1.7774   -4.1756 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6045    4.5875   -4.9972 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8970   -0.0379    0.4826 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9146   -6.6532    1.3804 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5857    3.7782   -5.9652 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9066    4.7259   -6.0213 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.0701   -4.8078   -0.2636 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2638   -2.2556   -5.3590 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7041   -7.4835    2.4637 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.5855   -4.6032    1.3596 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.4093    4.9173    4.8854 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3420    5.6139    6.8968 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.4020   -0.7291   -1.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496    4.4946    3.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8479   -3.0546   -1.8795 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5205   -4.9627    0.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    0.9589    6.6902 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.0401    0.5816   -2.8597 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.0201    2.6064    1.8416 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.6243    2.4359    3.2906 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8888    3.4862    5.3639 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.0015    0.4891    7.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1261   -2.0179    0.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8393    1.7442   -4.3117 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5673    4.2549    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -7.4373   -0.1067 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2436   -1.0545    4.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -7.9660    2.6647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274    7.2041   -2.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020    6.4207   -4.0508 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2374    5.1685   -0.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9258   -1.6310   -2.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5837    0.3282    0.2361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369   -1.4940    0.9246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1887    3.0180   -3.4998 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0773   -7.8540   -2.6829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -5.6472    3.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8099   -0.0985   -1.1535 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827    5.1425   -2.9347 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0678    3.9920   -2.2828 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.8992   -0.3185    2.2513 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372   -6.6119   -0.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -1.3335   -1.7787 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0071    2.2268    0.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4746    3.8112   -1.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930    5.3647   -4.9934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1441   -2.8300   -6.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -1.5764    5.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -0.6989    6.5569 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5184   -2.7682    5.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -3.3329   -6.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234   -3.0091   -7.6412 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.3925   -1.8577   -1.0502 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  7  1  0
  1 73  2  0
  1 74  1  0
  2  4  1  0
  2 77  1  0
  3  6  1  0
  3  9  1  0
  4 72  1  0
  4 78  2  0
  5  7  1  0
  8  9  1  0
 10 11  1  0
 10 75  2  0
 10 80  1  0
 11 77  1  0
 12 76  2  0
 12 82  1  0
 12 83  1  0
 13  8  1  0
 13 16  1  0
 13 82  1  0
 14  5  1  0
 14 15  1  0
 14 83  1  0
 15 79  1  0
 15 84  2  0
 16 81  1  0
 16 87  2  0
 17 18  1  0
 17 80  1  0
 18 27  1  0
 19 22  2  0
 19 23  1  0
 20 28  1  0
 21 28  1  0
 22 32  1  0
 23 33  2  0
 23 86  1  0
 24 26  1  0
 24 34  1  0
 26 85  2  0
 26 95  1  0
 27 29  1  0
 30 36  1  0
 31 36  1  0
 32 40  1  0
 32 41  2  0
 33 41  1  0
 33 97  1  0
 34 46  1  0
 34100  1  0
 35 98  1  0
 36 47  1  0
 36 98  1  0
 37 90  2  0
 37 99  1  0
 38 28  1  0
 38 49  1  0
 38 99  1  0
 39 49  1  0
 39 50  1  0
 39 89  1  0
 42 25  1  0
 42 51  1  0
 42101  1  0
 43 91  2  0
 43101  1  0
 44 29  1  0
 44 54  1  0
 44102  1  0
 45 58  1  0
 45 95  1  0
 46 95  1  0
 46106  2  0
 47 88  1  0
 47104  2  0
 48 37  1  0
 48 61  1  0
 48 88  1  0
 50 96  2  0
 50103  1  0
 51107  2  0
 51 97  1  0
 52 43  1  0
 52 64  1  0
 52 92  1  0
 53 56  1  0
 53 94  2  0
 53105  1  0
 54 92  1  0
 54108  2  0
 55 59  1  0
 55 93  2  0
 55102  1  0
 56 65  2  0
 56 96  1  0
 57 40  1  0
 57 63  1  0
 57105  1  0
 58 59  1  0
 60 98  1  0
 61 66  1  0
 61 69  1  0
 62 99  1  0
 63 70  1  0
 64 67  1  0
 64 68  1  0
 66 71  1  0
 70109  1  0
 72  6  1  0
 89110  1  0
100115  1  0
103 65  1  0
109113  2  0
109114  1  0
110111  1  0
110112  2  0
M  RAD  8   2   3   3   3   5   3   6   3   7   3   8   3   9   3  11   3
M  RAD  8  13   2  14   2  17   3  18   3  19   2  20   2  21   2  22   2
M  RAD  8  24   3  25   2  27   3  28   2  29   3  30   2  31   2  34   2
M  RAD  8  35   2  38   2  39   2  40   3  41   2  42   2  44   2  45   3
M  RAD  8  48   2  49   3  52   2  57   2  58   3  59   3  60   2  61   2
M  RAD  8  62   2  63   3  64   2  65   2  66   3  67   2  68   2  69   2
M  RAD  8  70   3  71   2  72   2  74   2  77   3  79   2  80   2  81   2
M  RAD  8  82   2  83   2  86   2  88   2  92   2  97   2 101   2 102   2
M  RAD  4 105   2 111   2 114   2 115   2
M  END
$$$$
