YMQLIN0045
     RDKit          3D

 93 95  0  0  1  0  0  0  0  0999 V2000
   -1.8053   -7.1856    2.2300 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0238   -7.5522    0.6623 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0988   -5.5211    0.6609 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6936   -4.2619   -0.2087 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0965   -5.2938    5.0018 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.9240    2.8983    4.6852 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2111   -3.7428    5.0311 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.2232    3.9982    6.8788 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7725   -2.7592   -0.3520 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2844    2.4851   -6.0700 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5535    1.4359   -5.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835   -3.7198    4.3763 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0218    1.6689    3.9243 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6255    2.8469    6.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -1.2842    0.1177 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7913    1.9200   -7.0333 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2439    4.2514    0.1772 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2424    0.8257   -4.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1106    1.8640   -5.1079 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5030    2.1580   -4.0034 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5266    1.7917   -1.9782 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2986    4.5849    0.6380 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4340    1.9592    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899   -3.3091    3.0481 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8608   -2.5055    3.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107   -0.6560    2.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486    0.4457    4.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400    1.5938    6.6681 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5574   -0.0357    0.8207 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8075    0.4118   -6.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7637   -0.2409   -4.7854 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3281    2.9006   -5.3729 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5623    2.9898   -4.7714 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3812    2.2000   -0.5121 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5194    3.6728    0.8091 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3339    2.9935    0.4525 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2421   -3.7909    1.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521    0.0334    2.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954   -2.1428    3.3455 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4441   -1.6852    1.5973 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9103    0.3749    5.9523 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4388   -1.4939   -5.3873 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4647   -2.8465    4.0136 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1607   -1.5773    0.3043 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4638   -1.6641   -0.6392 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8218   -3.1182    4.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -2.9624   -6.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -3.3193   -9.7239 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.0842   -1.7155   -1.0869 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9685   -2.9833   -8.1009 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8161   -2.8044    2.4794 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8316   -1.1819    2.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6331   -2.2965   -2.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3752   -3.4224    1.2628 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9663   -2.1262    0.5903 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6217   -6.5321    1.5952 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    7.1242    6.5255 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.7491    7.0458    9.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    1.7413   -4.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    6.4797    7.6490 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    2.1749    1.8062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    1.8838   -3.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -2.5534    5.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025   -0.0941    2.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    4.8606    7.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -3.0682    1.9387 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7389   -1.0008    2.7417 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.5827    6.6964    7.4178 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.0497    0.2146   -5.4161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5220    3.5907   -5.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5189    2.7976    0.7023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565    0.6327   -4.5385 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3534    1.6736   -3.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996    5.1721    0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -3.0399    2.7848 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4566   -0.6855    3.9067 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7366    0.8231    0.1550 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.7664   -0.2888   -7.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723   -4.9422    1.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515    1.1133    2.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3872   -2.7906   -6.1639 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8326   -3.3933    3.7160 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0415   -3.0669    5.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5697   -4.9815  -10.8373 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2054   -4.3817  -11.3341 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -3.0168   -5.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437   -1.9618   -1.4306 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.0242   -5.2976  -11.5435 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5137   -0.4105    2.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -3.3819  -12.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5189   -3.0394   -3.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6996   -1.7317   -3.8437 N   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2242   -0.9706    1.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 56  1  0
  2 56  1  0
  3  4  1  0
  3 56  1  0
  4  9  1  0
  5 12  1  0
  6 13  2  0
  6 14  1  0
  7 12  1  0
  8 14  1  0
  8 65  1  0
  9 15  1  0
 10 11  1  0
 10 16  2  0
 11 59  2  0
 11 69  1  0
 13 27  1  0
 14 28  2  0
 16 30  1  0
 17 36  1  0
 17 74  1  0
 18 31  1  0
 18 62  2  0
 18 72  1  0
 19 32  1  0
 19 72  1  0
 20 33  1  0
 20 73  1  0
 21 34  1  0
 21 73  1  0
 22 35  1  0
 22 74  1  0
 23 36  1  0
 23 61  2  0
 23 77  1  0
 24 12  1  0
 24 37  1  0
 24 75  1  0
 25 39  1  0
 25 63  2  0
 25 75  1  0
 26 40  1  0
 26 64  2  0
 26 76  1  0
 27 41  2  0
 27 76  1  0
 28 41  1  0
 29 15  1  0
 29 38  1  0
 29 77  1  0
 30 69  1  0
 30 78  2  0
 31 42  1  0
 31 69  1  0
 32 70  1  0
 33 70  1  0
 34 71  1  0
 35 71  1  0
 37 66  1  0
 37 79  2  0
 38 67  1  0
 38 80  2  0
 39 43  1  0
 39 67  1  0
 40 44  1  0
 40 66  1  0
 42 81  1  0
 43 46  1  0
 44 45  1  0
 45 49  1  0
 46 82  1  0
 46 83  2  0
 47 50  1  0
 47 81  1  0
 47 86  2  0
 48 50  1  0
 48 85  1  0
 49 87  1  0
 51 52  1  0
 51 54  1  0
 51 82  1  0
 52 89  2  0
 52 93  1  0
 53 87  1  0
 53 91  2  0
 53 92  1  0
 54 55  1  0
 55 93  1  0
 57 60  1  0
 58 60  2  0
 60 65  1  0
 60 68  1  0
 84 85  1  0
 85 88  1  0
 85 90  2  0
M  RAD  8   1   2   2   2   3   3   4   3   5   2   6   2   7   2   8   3
M  RAD  8   9   3  10   2  12   2  13   2  15   3  16   2  17   3  19   3
M  RAD  8  20   3  21   3  22   3  24   2  28   2  29   2  31   2  32   3
M  RAD  8  33   3  34   3  35   3  36   3  39   2  40   2  41   2  42   3
M  RAD  8  43   3  44   3  45   3  48   3  49   3  50   3  51   2  54   3
M  RAD  8  55   3  57   2  66   2  67   2  68   2  72   2  75   2  76   2
M  RAD  7  77   2  81   2  82   2  84   2  87   2  88   2  92   3
M  END
$$$$
