BW8Q4E -OEChem-04022104253D 42 44 0 0 0 0 0 0 0999 V2000 -2.0989 2.6360 0.1009 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 3.9442 -0.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 2.4582 1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -0.9838 0.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -2.7607 -2.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -2.2806 1.8722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 1.4674 -0.9001 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 1.1274 -0.3089 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 -0.4233 0.4998 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -2.5435 -0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 2.1929 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 1.4850 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 2.7487 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 1.2831 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 2.3947 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4795 0.9292 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 0.0778 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 0.0068 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.6433 -1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.9672 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 -0.3107 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -1.7259 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 -1.6055 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 -1.9710 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 -4.1168 -1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 -1.4189 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 3.4530 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 0.8465 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 1.7197 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 2.8330 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.2621 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 1.8098 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5422 -0.2092 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 0.3004 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 -2.1983 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 -2.8521 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -4.6126 -2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -4.6372 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -4.1827 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8295 -1.0456 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2776 -0.5895 3.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -1.9988 3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 25 1 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 17 1 0 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 32 1 0 0 0 0 9 17 1 0 0 0 0 9 22 2 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$