BY5BU1 -OEChem-04012115382D 52 55 0 1 0 0 0 0 0999 V2000 5.5321 -1.7171 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.5321 -1.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 -1.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -2.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3837 3.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0321 0.8810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3640 2.4558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7651 0.3162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9218 1.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4599 -0.0410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.8511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5321 0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 -0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 -1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2270 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1775 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7156 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7221 -1.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 0.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9494 0.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 -0.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1147 -0.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 -0.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 -0.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9494 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 -2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0203 1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5111 1.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -3.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -3.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -3.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0492 0.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3321 -0.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 2 16 1 0 0 0 0 3 21 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 7 26 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 28 2 0 0 0 0 11 26 1 0 0 0 0 11 28 1 0 0 0 0 11 47 1 0 0 0 0 12 28 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 19 40 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 25 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 29 46 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$