B7LJK9 -OEChem-04022110593D 42 43 0 0 0 0 0 0 0999 V2000 2.9023 2.9050 -0.3812 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -1.7964 -0.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 2.0853 -0.0167 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -1.4263 -2.2581 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 -0.7413 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5774 -0.9537 1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -0.7215 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -0.6454 2.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 -0.0250 1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -2.4013 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 0.3648 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 1.6810 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -0.1314 -2.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 1.3722 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 -0.0316 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 1.6840 0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 0.3586 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 0.9821 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.3434 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4655 -0.4246 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6873 -1.7913 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -0.9000 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 0.4160 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -1.2167 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -0.2710 2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -0.1153 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 1.0237 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9214 -2.6799 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 -2.5280 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -3.1166 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 0.3888 -3.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 2.9827 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 2.4710 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 0.1413 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7279 1.2620 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 -1.1073 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3486 -1.0623 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8111 0.6093 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1031 -0.5838 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6735 -2.2479 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -2.5996 -0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6687 -1.3988 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$