B8U2WE -OEChem-04012115032D 43 45 0 0 0 0 0 0 0999 V2000 5.2152 1.2264 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 1.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 3.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 0.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8239 -0.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8239 -0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 3.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 4.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 3.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 -0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 2.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9188 1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 2.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 -3.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 -2.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 -4.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -4.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 2 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 18 2 0 0 0 0 5 23 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 35 1 0 0 0 0 8 14 1 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 16 23 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$