B5PL7E -OEChem-04012115152D 38 40 0 0 0 0 0 0 0999 V2000 2.9176 -2.2673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.7673 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 8.9962 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1503 -0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7703 0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 9 2 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 6 23 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$