BTS80E -OEChem-04022104233D 49 52 0 0 0 0 0 0 0999 V2000 -0.3974 -0.6378 -1.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6292 -0.0348 1.1016 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.2667 -1.3281 -0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 -0.7149 0.0825 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -1.9139 0.0533 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 1.6304 -0.2383 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 0.6091 -0.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 0.2026 -0.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8553 -0.5481 0.2578 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2252 -0.2282 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 0.3289 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -1.6119 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.6358 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -0.6298 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 1.9997 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 2.4257 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.6984 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 0.1465 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 0.5057 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -1.6804 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 3.8908 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 0.5908 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 -1.5955 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3868 -0.4598 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 0.3754 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 0.6988 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 0.9342 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.4891 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4711 -0.2365 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9908 0.6282 1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 -0.7952 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 2.7184 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 -2.8484 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -3.6481 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -2.4715 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 1.3264 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 -2.5740 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 4.2759 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 4.0933 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 4.4335 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9263 1.4691 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 -2.4126 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 1.2493 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4457 -0.3948 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 1.3909 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.6095 2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 -0.9386 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6465 1.0819 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9305 -1.4726 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 2 0 0 0 0 6 11 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 26 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 45 1 0 0 0 0 27 30 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 2 2 -1 9 1 M END $$$$