BAR03O -OEChem-04022100172D 52 55 0 0 0 0 0 0 0999 V2000 3.6508 5.2764 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 4.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5209 -3.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 -2.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 2.7418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 4.2418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 3.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 3.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 4.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 3.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -2.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -4.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 1.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 1.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 0.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 0.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 0.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 -0.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -0.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 2.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 4.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 2.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 1.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 -2.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -4.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 -3.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 -5.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 -5.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 -5.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 27 2 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 40 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$