
     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -2.7696   -2.1892    1.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -1.0811    0.3622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1755   -1.5931   -1.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -2.4996   -1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3753   -1.7287   -1.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8328   -1.3302   -0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -0.7447    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7578   -0.9714    1.2448 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059   -0.3178    1.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9381   -0.3522    2.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9930    0.3226   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0915   -0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    0.7543   -1.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    0.7296   -2.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995    1.4431   -2.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531    1.9136   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    2.8024   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509    3.2761    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701    2.8453    1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    1.9257    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302    1.5019   -0.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449    1.3761    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    2.1343    0.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0811    1.3021    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5891    0.0500    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2445    0.0602    0.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825   -1.7544    2.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709   -2.9486    1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856   -2.6938    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3318   -0.7317    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267   -0.7299   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940   -2.1581   -1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -3.0307   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662   -3.2813   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370   -2.3957   -1.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2353   -0.8584   -2.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7251   -1.0796    1.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3926    0.6546    2.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986   -0.6587    3.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    0.9490   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745    1.5306   -3.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471    3.1376   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    3.9726    1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645    3.1976    1.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2008   -0.8418    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26  2  1  0
 12  7  1  0
 21 16  2  0
 26 22  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  1
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
 10 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 25 45  1  0
M  END
$$$$
