SCPAY0033
     RDKit          3D

 44 51  0  0  1  0  0  0  0  0999 V2000
    7.0580    0.1282   -0.2359 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.6427    0.6369   -0.6978 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0483   -0.2387   -1.5686 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.4628    0.0808   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    0.1184   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692   -3.6058    0.6492 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6595   -0.2699   -1.6776 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9558    2.0198   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6262    1.6036   -0.4082 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5726   -2.6962    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3504    0.9228    0.7858 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8445    0.4545    0.7326 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8400    0.0367   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643   -0.3964    0.5055 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4565    0.4204    0.6156 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3718   -2.9575    1.1434 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2044   -0.5352    1.8280 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1684   -1.6387    0.5606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6706   -1.5179    0.8786 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2825    0.3938    1.8934 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8481   -1.0306   -1.5748 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5498   -0.4847    1.2391 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.1859   -1.9057   -1.0699 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2533   -0.9016   -0.4909 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0457    2.0077    1.4864 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1326    0.4831    0.6026 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5415   -1.6869   -1.4974 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6910    0.7441    0.7301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7725   -0.7346   -0.4379 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6182    3.0396    1.2426 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1980    3.3795   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3298    1.1041   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3998   -0.3376   -1.7067 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9364    2.2620   -0.9397 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6334    0.5179   -1.8777 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3480   -4.4472   -0.0784 O   0  0  0  0  0  1  0  0  0  0  0  0
   11.2494    2.0308   -0.6619 N   0  0  0  0  0  1  0  0  0  0  0  0
    0.5630   -2.7384    2.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267    0.0131   -0.7003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617    1.4693    2.4905 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.2626   -1.6537   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468    1.3879    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595    0.1252   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8065    4.3970   -0.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1  5  1  0
  2  4  1  0
  2  8  1  0
  3  5  2  0
  3  7  1  0
  4  9  1  0
  4 11  1  0
  5 12  1  0
  6 10  1  0
  6 36  1  0
  7 13  2  0
  8  9  1  0
  8 11  1  0
  8 37  1  0
 10 38  2  0
 12 15  2  0
 13 15  1  0
 13 39  1  0
 14 18  1  0
 14 39  1  0
 17 19  1  0
 17 20  1  0
 18 10  1  1
 18 19  1  0
 18 23  1  0
 19 16  1  1
 19 24  1  0
 20 26  1  0
 20 40  1  0
 21 39  1  0
 23 21  1  0
 23 27  1  0
 24 27  1  0
 24 29  1  0
 24 43  1  6
 25 28  1  0
 25 30  2  0
 26 28  1  0
 26 29  1  0
 26 42  1  6
 28 22  1  1
 28 32  1  0
 29 33  1  0
 29 41  1  1
 30 31  1  0
 31 34  1  0
 31 44  2  0
 32 34  2  0
 32 35  1  0
 33 35  1  0
M  RAD  8   1   3   2   3   3   2   6   3   7   2   9   3  11   3  12   2
M  RAD  8  14   3  15   2  16   2  17   3  20   2  21   3  22   2  23   2
M  RAD  8  25   2  27   3  30   2  33   3  34   2  35   3  36   2  37   3
M  RAD  1  40   2
M  END
$$$$
