
     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -2.1921    2.4538    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770    1.2602    0.6265 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1209    1.4440    1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    2.4317    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    1.9675   -0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    1.7273   -1.0071 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8137    2.6517   -1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586    2.1524   -1.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416    0.8937   -0.8221 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.6346   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -0.6719   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562   -1.5873    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301   -2.7838    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -3.0598    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536   -2.1429    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953   -0.9891   -0.3831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -2.3665   -0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945   -1.6907   -0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266   -1.3108   -2.0569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182   -1.4811   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935   -2.1324   -1.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -2.0061   -1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -1.2313    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1682   -0.5641    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127   -0.6644    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707    0.0718    1.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    3.3844    0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1928    2.2789    0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    2.5907    2.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1852    1.1612   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    1.7959    2.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.4628    1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    3.4206    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    2.5940    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8867    1.0768   -1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    2.7676   -1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922    3.6729   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0077   -1.3711    0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0734   -3.4887    1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569   -3.9756    1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -3.0140    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049   -2.7562   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4957   -2.5182   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1804   -1.1407    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4747    0.0524    1.6001 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  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26  2  1  0
 10  6  1  0
 16 11  2  0
 25 20  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  6
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  7 37  1  0
 12 38  1  0
 13 39  1  0
 14 40  1  0
 17 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
M  END
$$$$
