
     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.6120    2.8330    4.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098    2.2540    4.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3841    1.5417    3.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    2.4073    2.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    1.6734    2.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.7417    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    1.4922    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184    0.5293   -1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992    0.3656   -1.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2983   -0.1809   -1.4422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102    0.0769   -1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4115   -1.0957   -2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130   -2.4527   -1.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -2.6568   -1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869   -1.6451   -0.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232   -2.6245   -2.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6927   -1.4423   -3.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.7550   -3.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3858    0.1012   -4.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566   -0.9296   -2.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2521    1.3811    3.5542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253    2.3144    2.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5018    3.3461    4.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    0.6104    3.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    1.2546    4.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    3.3269    3.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812    2.7312    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -0.0178    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185    0.1866    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736    2.2420   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337    2.0406   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247    1.0704   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -0.0688   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022   -2.5073   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848   -3.2655   -2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -3.6226   -0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4426   -1.7413   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6939   -3.4883   -3.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9917   -2.6404   -2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299   -1.2171   -3.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488   -1.8458   -2.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039   -0.3236   -3.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 12 20  1  0
  5 21  1  0
 21 22  2  0
 22  5  1  0
 20 10  1  0
 18 12  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
 11 32  1  0
 11 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 17 40  1  0
 20 41  1  0
 20 42  1  0
M  END
