YMQ0500
     RDKit          3D

 55 58  0  0  1  0  0  0  0  0999 V2000
   -3.4749    0.2128    0.3605 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2765    1.3324    0.1672 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0916    0.3521    0.4940 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6734    2.5719    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785    1.6116    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    0.6970    0.4986 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2552   -0.6109    0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002    2.7204    0.2508 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0311    1.7687    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2489    0.8113    0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1960    3.5018   -2.2428 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1418    0.4543    0.7993 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5136    3.0046    1.0197 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7355    2.0875    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4130    2.2416   -2.9370 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.7791   -1.2379   -0.2086 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3384    1.7961    1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0660   -3.3427    0.6689 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8816    3.1653    1.2156 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1470    2.8287   -2.5271 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1351    2.2780    1.2197 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9610    1.0560   -2.3959 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.5161   -3.3881    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5201   -3.4084    0.6428 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6011   -2.4710    0.2396 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9591   -0.1086   -0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506    2.6478    1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9538    2.7572    0.8669 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0941    0.7053    0.9607 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2338    3.6072    0.7645 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5084    4.4674    0.6730 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.5107   -0.7726    0.9737 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0046   -2.2279    0.9659 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0657   -3.9211   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -6.0545   -2.4079 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.3942   -5.5769   -1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0855   -6.9346   -0.7101 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.6184   -4.6984   -1.7036 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7568    5.1429    0.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802   -1.9362    0.1781 N   0  0  0  0  0  1  0  0  0  0  0  0
    2.9782   -0.3904    0.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6478    4.0128   -0.2034 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9779    4.0261   -1.8902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5678   -0.1834   -1.8798 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8600    3.9178    0.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0801   -2.6954   -0.2769 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2014   -3.5811    0.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4341    3.8761    1.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0125   -4.0288    1.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7061    0.7415    0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026    2.0316    0.9639 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206   -3.5961    0.9184 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.0213   -3.3206   -1.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7112   -5.0933   -0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5392   -2.8467   -0.4487 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  8  2  0
  4 42  1  0
  5  8  1  0
  5  9  1  0
  6  9  2  0
  6 10  1  0
  7 12  1  0
  7 40  1  0
  7 41  2  0
  9 13  1  0
 10 14  2  0
 10 41  1  0
 11 15  1  0
 11 43  1  0
 12 17  1  0
 13 19  2  0
 14 19  1  0
 14 21  1  0
 15 20  1  0
 15 22  1  0
 16 25  1  0
 16 26  1  0
 17 21  2  0
 17 27  1  0
 18 23  1  0
 18 24  1  0
 20 43  1  0
 22 44  1  0
 23 46  1  0
 23 49  2  0
 24 47  1  0
 25 47  1  0
 26 44  1  0
 26 50  2  0
 27 48  2  0
 27 51  1  0
 28 30  1  0
 28 51  1  0
 29 32  1  0
 29 51  1  0
 30 31  1  0
 32 33  1  0
 33 52  1  0
 34 52  1  0
 34 53  2  0
 34 54  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 36 54  1  0
 39 42  2  0
 42 43  1  0
 42 45  2  0
 55 46  1  0
M  RAD  8   1   2   2   2   3   2   6   2   8   2  11   3  12   3  13   2
M  RAD  8  15   2  16   3  18   3  19   2  20   3  21   2  22   3  24   3
M  RAD  8  25   3  28   3  29   3  30   3  31   2  32   3  33   3  35   2
M  RAD  7  37   2  38   2  40   3  44   2  46   2  52   2  55   2
M  END
$$$$
