B1A4XI -OEChem-04022101232D 55 57 0 1 0 0 0 0 0999 V2000 9.5256 1.2397 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 -0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3194 2.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7318 0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5936 -1.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4396 2.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -2.6832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 1.0335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 0.0830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -1.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -3.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5041 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4611 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7503 3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7288 3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7073 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6858 3.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 -0.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 0.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 -1.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 1.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6686 -3.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 -4.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8472 -3.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 0.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 -0.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5645 0.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9859 3.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7297 3.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1365 3.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8137 3.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2925 3.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5579 4.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 47 1 0 0 0 0 5 20 2 0 0 0 0 6 26 1 0 0 0 0 6 50 1 0 0 0 0 7 26 2 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 20 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 37 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 3 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$