
     RDKit          3D

 48 50  0  0  0  0  0  0  0  0999 V2000
    4.0405    0.9539   -2.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556    1.0683   -0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8758    1.8738    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -0.2652   -0.2693 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -0.4764    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741    0.2974    1.5427 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    0.3346    2.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    1.6021    2.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    1.5234    0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    2.4787   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.0076   -1.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163    1.7040   -1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    0.6374   -1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3811    0.7778   -1.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2442   -0.1730   -0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284   -1.2896   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3482   -1.4648   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -0.5297   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633   -0.7010   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -1.8644   -0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -3.0921   -0.5190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -4.2383   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134   -4.1877    0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -2.9530    0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -1.7697    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9323    0.3345   -1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3926    1.9595   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    0.4893   -2.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    1.6148   -1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433    2.8725   -0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    1.3445    0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    2.0413    1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048   -1.0983   -0.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -0.5715    2.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238    0.3805    3.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109    2.5059    2.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4471    1.6646    2.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279    3.4406    0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    2.6564    0.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868    1.1603   -1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5431    2.8334   -2.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878    1.6738   -1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3170   -0.0328   -0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3993   -2.0220    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9956   -2.3067    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7772   -5.1893   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760   -5.0934    0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -2.9118    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  5  1  0
 18 13  1  0
 25 20  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
M  END
$$$$
