BIE61Q -OEChem-04012114252D 42 45 0 0 0 0 0 0 0999 V2000 10.1921 2.2568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9859 3.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 1.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.1762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1706 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -3.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 3.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 0.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 3.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 0.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2985 1.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 2.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0428 3.0697 0.0000 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 18 1 0 0 0 0 1 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 15 2 0 0 0 0 6 20 1 0 0 0 0 7 17 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 27 1 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 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 $$$$