CHH0177
     RDKit          3D

 84 91  0  0  1  0  0  0  0  0999 V2000
    4.2354   -5.5704    1.4467 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6062   -4.2861    2.0235 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5878   -0.3246    3.8283 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0265    0.2022    5.1773 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1747   -5.4006    0.3472 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0360    4.0471    5.8704 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3113    3.2774    3.9464 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6346   -4.3676   -0.9380 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3823    3.4895    2.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1409   -2.9385   -0.5753 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2109   -1.1568    1.8499 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5462   -1.3858    5.2272 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4954   -3.6161    1.3949 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2144    4.3962    6.7183 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2222    3.6596    4.9652 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7363    1.7762    6.6658 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9414    2.8052    1.5404 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1368   -5.6927   -1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -3.0340    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437   -1.5176    0.6925 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7298   -1.2826    4.3302 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8534    3.2401    7.1635 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4933    4.6857    7.5402 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9139    1.8608    2.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9618    2.9162 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3253   -4.0722   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -5.1412   -1.7890 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0485    1.8139    1.1084 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7061    4.9930    8.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -1.1751    5.1565 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2288    0.4102    2.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325   -5.4374   -2.6670 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4779    3.9163    0.7617 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5047   -5.6002   -3.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144    2.7825    0.8962 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7015    1.7937    0.8957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9072    2.4049    1.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340    0.7977   -1.5813 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1436    1.7236   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -3.5087   -4.7778 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5339   -4.4841   -5.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160    2.6342   -1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    0.6446   -2.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902   -2.3601   -4.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    3.4724   -0.0718 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8723   -0.4062   -3.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332   -4.3487   -6.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200    2.6058   -2.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683   -2.1677   -5.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -0.0911   -4.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4098   -5.4094   -8.0008 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1119   -3.1961   -6.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567    1.1325   -4.5228 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8699   -0.9456   -5.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200   -2.9126   -7.9753 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7964   -0.6643   -7.0863 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8516   -1.6571   -8.0893 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9563    4.4264    3.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -1.7494    1.9132 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1505   -0.8231    2.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -5.8382   -2.0239 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5691    0.4866    6.3916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1731    2.8987    2.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -4.3948    0.2428 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    4.6000    7.7448 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4739   -1.6601   -0.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -6.6197   -0.9915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695   -3.7088    3.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.1157    2.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -2.9839   -0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153    0.9359   -0.3387 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3222    1.3648    3.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777    5.6631    9.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    0.4923    1.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601   -4.5360   -3.8154 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.3603    1.9099    2.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7945   -6.7638   -3.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5004    3.5437    1.2451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244   -5.5570   -5.6867 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940   -1.4800   -3.7825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105    1.5782   -3.2957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3406    3.4432   -2.8981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    0.5854   -7.2543 N   0  0  0  0  0  1  0  0  0  0  0  0
    5.7760    2.1056   -1.4391 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  5  1  0
  2 13  1  0
  3  4  1  0
  3 60  1  0
  4 62  1  0
  5 64  1  0
  6 14  1  0
  6 15  1  0
  7 15  1  0
  7 63  1  0
  8 10  1  0
  8 18  1  0
  9 17  1  0
  9 58  2  0
  9 63  1  0
 10 66  1  0
 11 20  1  0
 11 60  1  0
 12 21  1  0
 13 19  1  0
 13 64  1  0
 14 23  1  0
 16 22  1  0
 16 62  1  0
 17 28  1  0
 18 61  1  0
 18 67  2  0
 19 59  1  0
 19 68  2  0
 20 66  1  0
 21 30  1  0
 22 65  1  0
 23 29  1  0
 24 28  1  0
 24 63  1  0
 24 69  2  0
 25 21  1  0
 25 31  1  0
 25 59  1  0
 26 27  1  0
 26 64  1  0
 26 70  2  0
 27 32  1  0
 27 61  1  0
 28 71  1  0
 29 65  1  0
 29 73  2  0
 31 72  2  0
 31 74  1  0
 32 34  1  0
 33 35  1  0
 34 75  1  0
 34 77  2  0
 36 35  1  6
 36 37  1  0
 36 39  1  0
 36 74  1  0
 37 76  2  0
 37 78  1  0
 38 39  1  0
 38 43  2  0
 39 42  2  0
 40 41  2  0
 40 44  1  0
 41 47  1  0
 41 79  1  0
 42 45  1  0
 42 48  1  0
 43 46  1  0
 43 81  1  0
 44 49  1  0
 44 80  2  0
 45 78  1  0
 46 50  2  0
 46 80  1  0
 47 51  1  0
 47 52  2  0
 48 81  1  0
 48 82  2  0
 49 52  1  0
 49 54  2  0
 50 53  1  0
 50 54  1  0
 52 55  1  0
 53 81  1  0
 54 56  1  0
 55 57  1  0
 56 57  1  0
 56 83  1  0
 71 84  1  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   6   3   7   3   8   3
M  RAD  8  10   3  11   3  12   2  13   2  14   3  15   3  16   3  17   3
M  RAD  8  20   3  21   2  22   3  23   3  25   2  27   2  28   2  30   2
M  RAD  8  32   3  33   2  35   3  38   2  40   2  45   3  51   2  53   3
M  RAD  8  55   3  56   2  57   3  59   2  61   2  65   2  75   2  83   3
M  RAD  1  84   2
M  END
$$$$
