YMQLIN0031
     RDKit          3D

 78 80  0  0  1  0  0  0  0  0999 V2000
   17.8247   -0.7216    2.1517 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8803    2.2371    2.0103 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.2237    3.0474   -0.3703 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.3190   -5.0486   -1.5558 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.5650   -5.6151   -0.6463 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.1138    0.2764    1.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6386    1.7718    0.5040 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.2395   -4.1624   -1.7166 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.4109   -4.7203   -0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0308   -1.6996    1.5078 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.7700    0.3866   -0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6321    1.2650   -1.2987 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.8731    0.5157    0.1932 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7664   -0.1639    0.4783 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8226    0.7807   -0.0231 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3827    0.8479   -0.1070 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8188   -0.8405   -0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4990   -1.5176    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3056    0.4041    0.1390 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2913   -0.4977    0.0759 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0998   -0.1336   -0.0886 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7045    0.0501   -0.2921 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3810   -1.0063    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5814   -1.3099   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1716   -2.9212   -1.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3633   -3.4978   -0.0727 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.2823    0.3253   -0.8718 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.1073    1.6050   -1.2118 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9895    1.2588   -0.6315 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4968   -0.4503   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8350   -0.0982   -1.0209 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.2614   -2.6213   -0.2153 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7973   -1.0111    0.5827 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.0788    0.7785   -1.9803 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.6912    0.9388   -1.5831 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0935   -1.6783    1.6875 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.6661    2.0320   -2.1750 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2311   -2.2514    2.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1316    0.6821   -3.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4794    0.6191   -1.3077 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.6666    3.0906   -2.7986 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.1731    0.6724   -2.2125 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5252   -0.6079    4.3804 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6244   -0.1922    5.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0067    5.0708   -2.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377    0.5286    3.5203 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6374    1.5479    4.5987 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.7202    1.2884    1.9712 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3101   -0.2590    0.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142   -1.8585   -1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9489   -1.9820    1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6630   -1.4120    0.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6610   -6.5123   -0.5674 O   0  0  0  0  0  1  0  0  0  0  0  0
  -11.5847    0.3433   -0.6673 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.0141   -0.2276    0.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    2.0494   -1.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958   -1.0249   -0.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0531   -0.3619   -0.3825 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.1004    1.1226   -1.5316 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.9903   -0.0595    1.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694    1.5737   -0.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9368    0.1263    0.1041 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1691   -2.0574   -1.3725 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.4411   -2.4654   -0.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9884    1.3477   -3.0154 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.3434   -1.6219   -0.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8752   -0.6584    0.4573 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4352   -1.9067    4.0354 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3576   -3.0511    2.4058 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1120    0.5780   -0.3969 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4449    0.2315   -4.3585 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6498    4.0092   -3.4279 N   0  0  0  0  0  2  0  0  0  0  0  0
   24.0757    0.4376   -1.5691 O   0  0  0  0  0  1  0  0  0  0  0  0
   23.0475    1.9349    0.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5905   -0.8721    6.8658 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9282    5.8429   -3.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2696    5.4526   -1.5022 N   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6990    1.2091    5.8704 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0
  1 10  2  0
  2  7  1  0
  3  7  1  0
  4  8  2  0
  4  9  1  0
  5  9  1  0
  5 53  1  0
  6 48  2  0
  6 55  1  0
  8 25  1  0
  9 26  2  0
 10 18  1  0
 11 27  1  0
 11 49  2  0
 11 59  1  0
 12 28  1  0
 12 59  1  0
 13 29  1  0
 13 60  1  0
 14 20  1  0
 14 60  1  0
 15 21  1  0
 15 61  1  0
 16 22  1  0
 16 61  1  0
 17 22  1  0
 17 50  2  0
 17 58  1  0
 18 55  1  0
 18 64  2  0
 19  7  1  0
 19 30  1  0
 19 62  1  0
 20 57  1  0
 21 57  1  0
 23 33  1  0
 23 51  2  0
 23 62  1  0
 24 31  1  0
 24 52  2  0
 24 63  1  0
 25 32  2  0
 25 63  1  0
 26 32  1  0
 27 34  1  0
 27 55  1  0
 28 56  1  0
 29 56  1  0
 30 54  1  0
 30 66  2  0
 31 35  1  0
 31 54  1  0
 33 36  1  0
 33 58  1  0
 34 65  1  0
 35 37  1  0
 36 38  1  0
 37 41  1  0
 38 68  1  0
 38 69  2  0
 39 42  1  0
 39 65  1  0
 39 71  2  0
 40 42  1  0
 40 70  1  0
 41 72  1  0
 43 44  1  0
 43 46  1  0
 43 68  1  0
 44 75  2  0
 44 78  1  0
 45 72  1  0
 45 76  2  0
 45 77  1  0
 46 47  1  0
 47 78  1  0
 67 70  1  0
 70 73  1  0
 70 74  2  0
M  RAD  8   1   2   2   2   3   2   4   2   5   3   7   2   8   2  10   2
M  RAD  8  12   3  13   3  14   3  15   3  16   3  19   2  20   3  21   3
M  RAD  8  22   3  26   2  27   2  28   3  29   3  31   2  32   2  33   2
M  RAD  8  34   3  35   3  36   3  37   3  40   3  41   3  42   3  43   2
M  RAD  8  46   3  47   3  53   2  54   2  58   2  59   2  62   2  63   2
M  RAD  6  65   2  67   2  68   2  72   2  73   2  77   3
M  END
$$$$
