D01XTB -OEChem-09301911163D 45 47 0 1 0 0 0 0 0999 V2000 2.3979 3.7033 1.5089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 4.0883 -0.3439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 0.5584 -0.5639 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 1.6214 -1.4939 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 -2.2745 1.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -4.4350 0.2029 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -0.0889 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 0.6462 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 -1.5838 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4119 -0.0264 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 -2.2416 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 -1.5093 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 0.6997 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 1.3602 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 1.1237 -1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 1.7765 0.4285 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7096 1.1740 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 3.3068 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.3326 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -1.1129 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 -0.9333 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 -2.4969 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -3.0232 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5871 -0.0116 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 1.6913 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 0.6677 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -1.7156 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 -2.0973 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 0.0870 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 0.4771 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 -3.2865 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 -2.2516 -0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8859 -1.6188 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2827 -1.9705 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 0.3344 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 1.1466 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 1.4504 1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 1.5973 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 1.4736 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -0.6724 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -0.3571 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 4.6759 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 -3.1303 -1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -4.8151 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -4.9829 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 42 1 0 0 0 0 2 18 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 21 1 0 0 0 0 5 23 2 0 0 0 0 6 23 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$