
     RDKit          3D

 96 98  0  0  0  0  0  0  0  0999 V2000
    1.5668    5.5272    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    4.6032   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320    5.3188   -1.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006    4.1877   -1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    2.9079   -0.5199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6484    3.1239    0.8833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7878    2.2784    1.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    2.9862    0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3073    2.0220    0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7434    1.5619    2.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9741    0.4083    2.8315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3297   -0.9586    2.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9617   -1.8453    3.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0437   -1.3727    1.2948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0663   -2.4992    1.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8330   -2.8109    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9149   -2.0015   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5870   -2.2496   -1.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1822   -3.3054   -2.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0977   -4.1089   -1.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4206   -3.8603   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726   -1.7408    0.2582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610   -2.7537    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1296   -3.6005    1.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136   -2.8254   -0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328   -1.5293   -0.6598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240   -0.6432   -1.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -1.0594    0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849   -1.0556    1.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804   -0.6219    0.3496 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7723   -1.3341   -0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -1.2252   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919   -0.1453   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512   -0.0058   -0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -0.9436    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3351   -0.7662    0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384   -1.4414   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5135   -1.0624   -1.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3045   -2.9691   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280   -0.9805    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595   -2.0203    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045   -2.1654    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.8445    0.3216 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288    1.6798   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393    1.3954   -1.9366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905    4.9534    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    6.3549    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    5.9865    1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    3.7000   -0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192    6.2347   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    5.6079   -1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    4.6470   -2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259    5.0262   -1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    4.0169   -2.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    2.7441   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    2.9648    1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506    1.2997    0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7373    2.0730    2.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574    3.4552   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    3.8025    1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0921    1.1545    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1646    2.5588    0.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8225    1.3061    2.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276    2.3983    3.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2959    0.5757    3.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6311   -0.5064    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5701   -3.4160    1.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7796   -2.1746    2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2310   -1.1729    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4211   -1.6224   -1.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7034   -3.5021   -3.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7831   -4.9249   -2.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5683   -4.4772   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0643   -1.1669   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -3.1490   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841   -3.5988   -0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6222   -0.5044   -2.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8871    0.3367   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -1.0681   -2.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -0.9601    1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969   -2.4127   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -0.9434   -1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    0.5919   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9033    0.8405   -1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5871    0.0395   -1.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4003   -1.5253   -2.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059   -1.4059   -2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4319   -3.3474   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1735   -3.2386    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -3.4842   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6821   -1.2211    1.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208   -1.4798    0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532    0.1185    0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   -2.7334    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521   -2.9978    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4650    1.3025    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 35 41  1  0
 41 42  2  0
 30 43  1  0
 43 44  1  0
 44 45  2  0
 44  5  1  0
 21 16  1  0
 42 32  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  2 49  1  0
  3 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  0
  4 54  1  0
  5 55  1  6
  6 56  1  0
  7 57  1  0
  7 58  1  0
  8 59  1  0
  8 60  1  0
  9 61  1  0
  9 62  1  0
 10 63  1  0
 10 64  1  0
 11 65  1  0
 14 66  1  6
 15 67  1  0
 15 68  1  0
 17 69  1  0
 18 70  1  0
 19 71  1  0
 20 72  1  0
 21 73  1  0
 22 74  1  0
 25 75  1  0
 25 76  1  0
 27 77  1  0
 27 78  1  0
 27 79  1  0
 30 80  1  1
 31 81  1  0
 31 82  1  0
 33 83  1  0
 34 84  1  0
 38 85  1  0
 38 86  1  0
 38 87  1  0
 39 88  1  0
 39 89  1  0
 39 90  1  0
 40 91  1  0
 40 92  1  0
 40 93  1  0
 41 94  1  0
 42 95  1  0
 43 96  1  0
M  END
$$$$
