LE50IA -OEChem-05022323092D 51 54 0 1 0 0 0 0 0999 V2000 6.3981 2.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 3.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 1.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.7327 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 -1.2673 0.0000 N 0 0 0 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 2.2327 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 3.8000 2.7327 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 7.2641 1.7327 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 2.9061 4.2673 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 2.0000 3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2327 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 8.9962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.7673 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 10.7282 -2.2673 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 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 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 2.9132 1.5780 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 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 6.7272 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -4.0773 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 11.5942 -3.3873 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 7 1 0 0 0 0 1 14 1 0 0 0 0 4 24 2 0 0 0 0 5 31 1 0 0 0 0 5 51 1 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$