BA28JP -OEChem-04022107423D 47 50 0 0 0 0 0 0 0999 V2000 1.8499 1.6996 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 0.3461 0.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1286 -3.1862 0.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4926 -0.9532 0.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -2.6936 0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 -3.4604 -1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6963 0.7327 -0.3868 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 1.7886 -1.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 2.4271 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 2.7825 -1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 1.0309 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 -0.4981 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 3.1780 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 2.7602 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 1.5990 0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 0.5258 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 3.3379 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8025 4.1131 -1.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 -0.5812 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 2.5838 1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 -1.6539 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -1.8204 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9931 0.3347 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 -0.3266 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1115 -2.8930 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 -2.9762 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -1.5612 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 -0.7088 0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.3701 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7086 -1.9079 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.6492 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 4.2132 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 4.1951 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 4.3299 -2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 4.8876 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 4.1164 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 0.3190 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 2.7516 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 -1.6457 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 0.9817 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -0.2110 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 -3.7943 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 -3.9612 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -0.8217 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -2.0236 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0995 -3.2343 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.4302 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 30 2 0 0 0 0 5 31 1 0 0 0 0 5 47 1 0 0 0 0 6 31 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 28 1 0 0 0 0 23 40 1 0 0 0 0 24 29 2 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$