BWEQ52 -OEChem-04012113113D 46 49 0 0 0 0 0 0 0999 V2000 -1.7834 -0.9962 0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 1.2541 0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7347 0.0977 0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.2893 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 -1.0641 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 -2.2202 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 0.6161 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 2.5136 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 2.4373 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 1.2992 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 0.1487 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 3.7565 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 3.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 -1.1145 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 4.9346 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 4.8719 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 -2.2653 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 -3.3857 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 0.1765 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 -3.4703 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6535 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2192 -2.2553 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 -4.6363 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 0.4570 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -1.5511 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 -0.3185 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7047 -2.3266 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -1.7102 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 3.8650 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 3.6104 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 2.1828 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 5.8969 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 5.7868 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -4.4207 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6275 1.6218 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -2.7620 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 -2.7596 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 -1.2308 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -5.2309 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -5.2344 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -4.4087 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9712 1.5403 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6183 -2.1043 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0223 0.1613 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6348 -3.4105 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8588 -2.3141 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 9 1 0 0 0 0 2 11 2 0 0 0 0 3 10 2 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 6 14 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$