DR5078 -OEChem-08132116333D 47 47 0 1 0 0 0 0 0999 V2000 0.8620 0.1945 -2.2987 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -3.3843 -0.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 -2.0125 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -1.4304 -0.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7098 -0.5647 0.8271 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2184 -0.8874 -1.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 3.6022 1.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 2.3983 2.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 -1.6819 0.3554 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 0.9262 0.1167 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.9150 -1.3252 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1245 -1.1527 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 -1.5326 1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -1.3369 -0.6798 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8632 0.1467 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -2.8063 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 0.1190 -1.1070 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8446 0.6425 -0.0458 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5228 -2.6850 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 1.9942 -2.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 -1.5877 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.4872 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 1.9513 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -0.3431 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 2.6738 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 3.3548 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 -1.9679 0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -1.0269 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 -0.6964 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 -1.6926 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -2.0223 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 0.9361 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 0.0022 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -3.6420 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -3.0736 2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 0.4438 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 1.5775 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5562 -1.2000 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 2.4362 -2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 2.2609 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 1.3622 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4331 1.5809 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 3.7376 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 3.7127 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -2.1664 1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4385 -1.2013 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 4.1091 2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 19 2 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 21 2 0 0 0 0 5 24 1 0 0 0 0 5 46 1 0 0 0 0 6 24 2 0 0 0 0 7 25 1 0 0 0 0 7 47 1 0 0 0 0 8 25 2 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 23 2 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$