
     RDKit          3D

 50 52  0  0  0  0  0  0  0  0999 V2000
    5.5648    0.3231   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.6677   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247    0.4597   -2.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998   -0.1598    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170    0.1730    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3526    1.2997   -0.1495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.8497   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672    2.4680    1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2220    1.6550    2.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255    1.8508    1.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320    1.2004    0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871   -0.1094    0.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -0.8689   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1305   -1.0127   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2888   -1.7419   -2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802   -2.3246   -3.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -2.1849   -2.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400   -1.4744   -1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412   -1.3193   -0.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.4425    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -2.2608    1.4073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -2.4506    2.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677   -1.8114    3.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -0.9647    2.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -0.7501    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7587    0.4778    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2507    0.9812   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7828   -0.7363   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9516    1.7398   -0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635   -0.6077   -2.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823    0.7559   -2.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    1.0837   -2.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -1.0333    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7407    1.0959   -0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    2.6594   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    3.4922    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    2.5910    1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0482    1.9919    3.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    0.5815    2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9691    2.9352    1.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    1.4019    2.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480    1.8349   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3408    1.1479    0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9999   -0.5677   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715   -1.8514   -2.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040   -2.8820   -3.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -2.6319   -2.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496   -3.1064    3.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   -1.9663    4.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -0.4584    2.9111 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
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 14 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
M  END
$$$$
