B2QCE3 -OEChem-04022105162D 49 52 0 0 0 0 0 0 0999 V2000 10.7263 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -0.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 -0.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 0.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -1.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -1.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 3.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 3.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -1.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 11 2 0 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 5 27 2 0 0 0 0 6 23 3 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$