YLP0079
     RDKit          3D

 94103  0  0  1  0  0  0  0  0999 V2000
    5.9216    0.1188    5.1792 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1249   -5.1417    5.0871 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.3129    1.7395    4.1066 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7271    0.4544    4.5206 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3594    4.4907   -1.2934 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1453    3.3981    0.8127 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4055   -2.6714    4.6402 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8484   -0.4233    3.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    5.0418   -2.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    3.8570   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   -4.0489    4.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773   -1.8125    3.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626    0.4300    2.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532    2.9852    2.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    2.9924    1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    4.8760   -2.8593 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6279    3.6585   -0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -2.3612    2.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -4.5965    3.8147 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2490    3.0044    0.1761 N   0  0  0  0  0  3  0  0  0  0  0  0
    2.0233   -0.1021    2.1351 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0820    4.1395   -2.0793 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8199   -1.5087    2.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044   -3.7519    2.9636 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7417   -8.3199    7.1918 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5130   -4.7970    3.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104   -8.3017   -1.5565 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4474   -7.6825    7.4637 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7959   -6.1530    6.4201 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5647   -5.6990    4.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -5.2780    1.7337 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8778   -0.8734   -2.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    1.7559   -2.8389 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4118    2.9475   -4.1394 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5882   -7.0781    3.8685 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5317   -6.6510    1.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602    3.0042   -5.4146 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4935   -7.9493    8.5853 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2706   -6.5505    7.3346 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5331   -4.9820    0.7644 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3605   -6.7119    1.0010 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3153    0.3685   -2.5442 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7833   -1.4837   -0.9577 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6222   -7.2056    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -7.5117    8.4497 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0726   -7.2709    0.3654 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5783   -7.5737    2.5819 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5267   -3.7618   -0.1676 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3810   -0.3795    6.0433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    1.8122    3.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048   -4.8638    5.5627 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949    3.9490    3.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612   -2.0458    1.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -2.2468    2.2504 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0120   -8.8985    6.8087 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4542   -3.4430    3.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -6.7261    6.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5287   -5.2172    5.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5894   -1.6444   -3.0608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9441   -2.7463   -2.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101   -7.6230   -0.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4526   -2.6661   -1.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158    2.9451   -3.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084   -8.0746    9.7531 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.4091   -5.9874    7.1932 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4426   -6.0995    1.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706   -8.2100    9.0029 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.4229   -7.2979   -0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762    3.0816   -6.5168 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    3.6601   -6.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887    2.3564   -7.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424    2.6879   -8.6077 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0170    3.4900   -7.8819 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7923    1.4409   -7.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    4.0018   -5.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9766   -1.0212    2.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6291   -2.6999    1.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2714    2.0354  -10.1621 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769    1.4075  -10.0955 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0971    5.9486   -3.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    6.2352   -2.5808 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1861    6.4769   -4.4584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338    7.3662   -4.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403    7.6749   -6.2581 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8735    6.6351   -7.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    6.8362   -8.5316 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5878    8.2185   -9.0042 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6369    9.3574   -8.0163 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1325    9.0518   -6.6306 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7032    5.6042   -9.2501 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0524    4.3724   -9.9296 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3910    8.4633  -10.2366 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5294   10.2709   -8.1532 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.6577    9.9933   -5.8920 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 49  1  0
  2 51  1  0
  3  4  1  0
  3 50  1  0
  4  1  1  0
  4  8  1  0
  5  9  2  0
  5 10  1  0
  6 10  1  0
  6 15  2  0
  7 11  2  0
  7 12  1  0
  8 12  2  0
  8 13  1  0
  9 16  1  0
  9 80  1  0
 10 17  2  0
 11 19  1  0
 11 51  1  0
 12 18  1  0
 13 21  2  0
 13 50  1  0
 14 15  1  0
 14 50  1  0
 14 52  2  0
 15 20  1  0
 16 22  2  0
 17 20  1  0
 17 22  1  0
 18 23  2  0
 18 24  1  0
 19 24  2  0
 21 23  1  0
 23 53  1  0
 25 55  1  0
 26 30  1  0
 26 31  2  0
 26 56  1  0
 27 61  1  0
 28 25  1  0
 28 38  1  0
 28 57  1  0
 29 39  1  0
 29 57  1  0
 29 58  1  0
 30 35  2  0
 30 58  1  0
 31 36  1  0
 32 42  1  0
 32 43  2  0
 32 59  1  0
 33 42  1  0
 33 63  1  0
 34 37  1  0
 34 63  1  0
 35 47  1  0
 36 47  2  0
 36 44  1  0
 37 69  1  0
 38 45  1  0
 38 64  1  0
 39 45  1  0
 39 65  1  0
 40 66  1  0
 40 48  1  0
 41 46  1  0
 41 66  1  0
 43 62  1  0
 44 61  1  0
 44 68  2  0
 45 67  1  0
 46 61  1  0
 48 62  1  0
 53 54  1  0
 54 56  1  0
 54 76  2  0
 54 77  2  0
 59 60  2  0
 60 62  1  0
 69 70  1  0
 69 71  1  0
 70 75  2  0
 71 72  1  0
 71 74  2  0
 72 73  1  0
 72 78  1  0
 73 70  1  0
 78 79  1  0
 80 81  1  0
 80 82  2  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 86 90  1  0
 87 88  1  0
 87 92  1  0
 88 89  1  0
 88 93  1  0
 89 84  1  0
 89 94  1  0
 90 91  1  0
M  RAD  8   1   3   2   2   3   3   4   2   5   2   6   2   7   2  16   2
M  RAD  8  19   2  20   2  21   2  22   2  24   2  25   3  27   2  28   2
M  RAD  8  29   2  31   2  33   3  34   3  35   2  37   3  38   2  39   2
M  RAD  8  40   3  41   3  42   3  43   2  45   2  46   3  47   2  48   3
M  RAD  8  55   2  64   2  65   2  67   2  72   2  73   3  79   2  81   2
M  RAD  8  84   2  86   2  87   2  88   2  89   2  90   3  91   2  92   2
M  RAD  2  93   2  94   2
M  END
$$$$
