B2E5KM -OEChem-04022106202D 40 42 0 0 0 0 0 0 0999 V2000 5.4641 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1723 2.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 3.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 3.2926 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 4 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 21 2 0 0 0 0 6 11 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 12 18 2 0 0 0 0 12 25 1 0 0 0 0 13 20 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$