BX2CN8 -OEChem-04012114142D 47 49 0 1 0 0 0 0 0999 V2000 3.7363 -3.2911 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5604 2.3252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 2.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 2.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 1.3593 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4133 -0.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8122 -1.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 0.8593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6721 0.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0711 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8122 -2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 1.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 2.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8192 3.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -2.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 2.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 -1.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 1.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8921 0.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 -2.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2152 -2.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9883 -1.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 -2.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8122 -3.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4322 -2.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 1.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 0.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 3.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 3.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -1.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 2.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 2.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 1.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 2.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7574 3.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 1 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 6 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 6 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 M END $$$$