B2ISO1 -OEChem-04022103563D 46 48 0 0 0 0 0 0 0999 V2000 2.6993 2.4897 -0.1974 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0261 -1.2032 -0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 3.1161 0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 2.9191 -1.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 -0.6911 1.0506 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 2.5375 1.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 -4.5177 -0.8125 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 0.1096 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 1.0851 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 0.5200 -0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 -0.5331 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6328 1.2671 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -1.7069 2.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4906 1.8860 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 1.7203 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 -0.0455 2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7749 0.6887 -2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 0.7551 2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 -2.9303 1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 -0.4134 -3.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 0.7548 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 -0.0362 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 0.1789 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.4033 -1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 -1.1881 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5148 -1.9793 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -3.3802 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 2.0299 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0653 -1.2767 3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 -2.0180 2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 2.6568 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 -0.7680 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 0.7128 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 1.6555 -2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 0.6147 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 2.6321 2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -3.3843 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 -2.7189 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -3.6796 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 -0.4358 -3.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 -1.4009 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 -0.2470 -3.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 0.3898 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7354 0.7747 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -2.0066 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 -1.6231 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 27 3 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$