cxypay0235
     RDKit          3D

 41 45  0  0  1  0  0  0  0  0999 V2000
   -6.0425    3.7998    0.8439 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4242    2.3594    1.0115 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0115    1.2581    1.8154 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5858    0.9391    0.1899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3358   -0.0192    1.9147 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8450   -0.1056    5.2824 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1974   -0.0209    1.0988 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8128   -0.2472    2.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8614    0.6726    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232    0.1231   -0.5003 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1938    1.1060    1.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560    0.7762    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    0.2598   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762   -0.5197   -1.6638 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9415   -1.0755    2.9361 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3199    0.1777    1.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -1.0011   -3.0002 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5795   -1.4330    1.7447 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9520   -0.1820    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    0.4123   -0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   -0.1335   -1.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4924   -3.1579   -4.3508 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4237    0.4014   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959   -0.9703    0.5245 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2536   -0.0941   -1.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795   -0.6579   -2.7778 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7682   -2.5308   -3.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1332    1.3932    2.3842 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1199    2.2666    0.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    2.0807    2.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719    0.8561    1.8612 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.1629    0.9568    0.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499    0.1542    4.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7271   -1.1689    2.7209 N   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8985    0.7678   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -3.8852   -5.3951 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0383   -0.1745   -3.8985 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.2412    0.8927   -1.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.5132   -2.9784 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4308   -3.5279   -2.4258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124   -3.2535   -1.1878 N   0  0  0  0  0  1  0  0  0  0  0  0
  2  1  1  0
  2  3  1  0
  2 29  1  0
  3  5  1  0
  3 28  1  0
  4  7  1  0
  4 29  1  0
  4 32  1  0
  4 35  1  6
  5  7  1  0
  5 34  1  0
  6 33  1  0
  8 15  2  0
  8 16  1  0
  8 33  1  0
  9 12  1  0
  9 13  2  0
  9 31  1  0
 10 13  1  0
 10 14  1  0
 10 32  1  0
 11 12  1  0
 11 16  1  0
 11 30  2  0
 12 20  2  0
 13 21  1  0
 14 17  1  0
 15 18  1  0
 16 19  2  0
 17 26  1  0
 17 27  1  0
 17 37  1  6
 18 24  2  0
 19 23  1  0
 19 24  1  0
 20 23  1  0
 20 25  1  0
 21 25  2  0
 21 26  1  0
 22 27  1  0
 22 36  1  0
 23 38  2  0
 25 39  1  0
 27 40  2  0
 40 41  1  0
M  RAD  8   1   2   2   2   3   2   5   2   6   2   7   3  10   2  14   3
M  RAD  8  15   2  18   2  22   3  24   2  26   3  28   2  31   2  34   3
M  RAD  4  36   2  37   2  39   2  41   3
M  END
$$$$
