LB3S8C -OEChem-05022323123D 46 47 0 0 0 0 0 0 0999 V2000 -2.7682 3.4139 -0.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0689 -2.0553 1.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 2.9069 0.8613 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1548 3.0151 -1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5398 -3.1539 -0.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 -0.1542 -0.3304 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3119 0.1353 0.0309 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 2.6813 -0.2069 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5930 3.3129 1.4447 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -2.4351 -1.1459 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 0.6326 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -1.5955 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 0.7830 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -2.1555 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 0.0127 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 2.0232 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 2.1735 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 2.7936 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -1.8398 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 -1.2854 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 -1.6733 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 3.0060 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -2.4361 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 -1.6391 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -2.0748 -1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9575 -2.0025 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5382 -2.3893 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 -2.0168 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 -1.9257 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 -3.2439 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 -1.7676 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 0.3143 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -1.0679 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 3.8787 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 0.7172 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -2.2353 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9611 -0.7566 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -1.7701 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -1.6845 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 -1.3309 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 -2.1204 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1089 2.9811 2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 3.8831 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5309 -1.9834 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5822 -2.6820 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 -2.4297 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 1 0 0 0 0 2 46 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 23 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 35 1 0 0 0 0 8 16 1 0 0 0 0 9 22 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 25 1 0 0 0 0 10 27 2 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$