BRY8O7 -OEChem-04012118202D 50 54 0 1 0 0 0 0 0999 V2000 3.3992 3.3573 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 2.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 4.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 3.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 3.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.0662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 0.9338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.3736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 0.4312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9697 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9727 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9697 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9727 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4712 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9448 1.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -0.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 1.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 2.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 2.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 4.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 2.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6588 -0.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6636 1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 -0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 1.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0912 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 18 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 16 9 1 6 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 20 2 0 0 0 0 11 26 1 0 0 0 0 12 24 1 0 0 0 0 12 26 2 0 0 0 0 13 24 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 6 0 0 0 15 17 1 0 0 0 0 15 34 1 6 0 0 0 16 35 1 0 0 0 0 17 18 1 6 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 23 25 3 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END $$$$