D04NPE -OEChem-10191522472D 46 49 0 1 0 0 0 0 0999 V2000 4.2755 1.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 1.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 0.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.5323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -1.5256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.0289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2678 -0.5256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9960 -1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 -0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6379 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6379 -2.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -2.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3818 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1739 -0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2799 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1819 0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2058 -2.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 -1.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 -2.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -2.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -1.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6451 0.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6451 -2.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -2.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 2.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 -1.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8413 1.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7072 -0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 2.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7201 1.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 40 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 42 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 6 0 0 0 8 29 1 0 0 0 0 9 14 1 6 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$