YMQ0445
     RDKit          3D

 52 55  0  0  1  0  0  0  0  0999 V2000
    9.9232    5.9314   -1.8740 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2912    5.5266   -0.6773 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.6257    4.2560   -0.4663 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7189    4.4329    0.1811 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5160    3.2976    1.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9128    4.5434    1.5949 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7714    2.1614    1.1158 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5501    4.6654    1.3772 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3911    2.2651    0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736   -0.0639    0.0186 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5834   -3.3774   -1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    3.5353    1.0468 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5564    1.0939    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821   -1.1814   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -3.7240   -1.2681 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.1866    1.1129    0.8987 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9035   -1.1101    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3663    0.0255    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -3.3980   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0611   -2.2231   -0.3210 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3170   -3.7833   -1.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110    0.0986    0.9728 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5026   -0.0086    1.2725 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7416   -3.5385    0.3713 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9879   -0.3098    1.4782 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4522   -0.7419    1.5599 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7355   -3.9180   -1.6108 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8657   -3.5491    1.9152 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9937   -4.2937   -2.4236 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7792   -3.7130    3.4509 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.4959    0.6787   -0.2196 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5421   -1.9523    0.1468 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1142   -4.8117   -3.3553 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.1090    1.9834    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1337   -1.9558    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8300   -0.6919   -0.4824 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0325   -1.9022   -0.2999 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.5492    6.3690   -3.0556 O   0  0  0  0  0  1  0  0  0  0  0  0
    9.0459    3.2448    0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    1.7996    2.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2199    3.1415    1.8709 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4968   -4.3092   -2.0326 N   0  0  0  0  0  1  0  0  0  0  0  0
    4.0043   -2.2367   -0.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1903   -4.2304   -2.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -3.6628   -0.9718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8640   -1.1333    1.5177 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2926   -1.8868   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2584    2.0596    0.6850 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.3774   -2.6790   -0.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4810    2.9558   -0.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377    4.2842    2.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2009    0.9231    0.6174 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 38  1  0
  2  3  1  0
  2  4  1  0
  3 39  1  0
  4 39  1  0
  5  6  2  0
  5  7  1  0
  5 41  1  0
  6  8  1  0
  7  9  2  0
  8 12  2  0
  9 12  1  0
  9 13  1  0
 10 13  2  0
 10 14  1  0
 11 15  1  0
 11 42  1  0
 11 43  2  0
 13 16  1  0
 14 17  2  0
 14 43  1  0
 15 19  1  0
 16 18  2  0
 17 18  1  0
 17 20  1  0
 18 22  1  0
 19 20  2  0
 19 21  1  0
 21 44  2  0
 21 45  1  0
 22 23  1  0
 23 25  1  0
 24 28  1  0
 24 45  1  0
 25 26  1  0
 26 46  1  0
 27 29  1  0
 27 45  1  0
 28 30  1  0
 29 33  1  0
 31 34  1  0
 31 36  1  0
 32 35  1  0
 32 37  1  0
 34 48  1  0
 34 50  2  0
 35 46  1  0
 35 49  2  0
 36 47  1  0
 37 47  1  0
 39 41  1  0
 40 41  2  0
 41 51  2  0
 52 48  1  0
M  RAD  8   1   3   2   2   3   3   4   3   6   2   7   2   8   2  10   2
M  RAD  8  12   2  15   3  16   2  20   2  22   3  23   3  24   3  25   3
M  RAD  8  26   3  27   3  28   3  29   3  30   2  31   3  32   3  33   2
M  RAD  7  36   3  37   3  38   2  42   3  46   2  48   2  52   2
M  END
$$$$
