BECV95 -OEChem-04022110292D 58 61 0 1 0 0 0 0 0999 V2000 8.1301 1.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1301 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2327 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 3.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 4.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 4.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 4.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 3.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 3.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 4.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -2.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -4.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6162 -4.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 30 2 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$