
     RDKit          3D

 77 80  0  0  0  0  0  0  0  0999 V2000
    3.1942    2.2634   -4.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    1.9496   -3.5940 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383    1.7911   -2.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6715    2.0584   -2.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218    1.3271   -1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7195    2.3882   -0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.5003    0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2922    1.3543    1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510    1.6684    2.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068    0.6965    2.8641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.9244    2.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6992    0.2305    2.9965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726    2.0420    1.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897    1.7786    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3927    0.5718   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9570   -0.6518    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8839   -1.7768   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2599   -1.6933   -1.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789   -0.4925   -2.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7340    0.6530   -1.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    1.8739   -1.7761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613    2.0786   -3.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -0.4112    3.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -1.7503    3.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -1.8389    2.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390   -3.0070    1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -4.0565    1.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -5.2070    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -5.3308    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -4.2982    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003   -3.1297    1.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -2.0518    1.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -1.9867    2.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.0337    0.6542 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200    0.2540    1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    1.2687    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253   -1.2234   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765   -0.0809   -1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    2.3841   -5.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    3.2112   -4.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619    1.4334   -5.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822    1.7941   -3.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8396    2.2511   -1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    3.3976   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190    3.4390    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561    2.6445    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    0.4146    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4837    1.1677    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    1.6522    3.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    2.6990    2.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804    2.2216    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2846    2.9754    2.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3248    1.6610    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7417    2.6753    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4655   -0.7344    1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231   -2.7111   -0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155   -2.5643   -2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1928   -0.4676   -3.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5949    1.3808   -3.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836    3.1235   -3.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.9310   -3.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163   -0.2708    4.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.4442    4.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -2.5751    3.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676   -1.8476    2.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -3.9859    1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703   -6.0039    0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335   -6.2281   -0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134   -4.4044    0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    0.6729    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    0.0819    1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.9485   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    2.2799    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302   -2.1817   -1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -1.2415   -1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.1500   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0050   -0.2822   -2.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 36  5  1  0
 38  5  1  0
 20 15  1  0
 31 26  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
  9 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 22 59  1  0
 22 60  1  0
 22 61  1  0
 23 62  1  0
 23 63  1  0
 24 64  1  0
 24 65  1  0
 27 66  1  0
 28 67  1  0
 29 68  1  0
 30 69  1  0
 35 70  1  0
 35 71  1  0
 36 72  1  0
 36 73  1  0
 37 74  1  0
 37 75  1  0
 38 76  1  0
 38 77  1  0
M  END
$$$$
