B5Z3UP -OEChem-04012119022D 44 46 0 0 0 0 0 0 0999 V2000 5.2215 0.9387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0021 3.1828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -0.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 2.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 3.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1931 4.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 4.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 0.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 1.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 0.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 0.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 1.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 1.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2827 4.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5096 4.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6627 5.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 22 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 14 2 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$