B2VQA3 -OEChem-04022100342D 54 59 0 1 0 0 0 0 0999 V2000 5.3913 1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 -1.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1814 0.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 -0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9102 1.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -1.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4382 -0.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 -0.1608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8860 -0.1608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5907 0.7803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5907 -1.1019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1918 -1.1019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6011 0.7803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0959 -0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1918 0.7803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2954 -0.1608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3913 -1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6866 -0.7424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7001 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 1.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1429 -1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4872 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 2.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -2.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9909 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -1.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2888 -1.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -0.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 -2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 -2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 -1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 1.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 1.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 2.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 2.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 2.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 -2.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6836 -1.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2855 -1.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2442 -2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -2.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3195 -1.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -0.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 -0.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -2.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 23 1 0 0 0 0 14 5 1 1 0 0 0 5 41 1 0 0 0 0 19 6 1 6 0 0 0 6 54 1 0 0 0 0 7 20 2 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 6 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 6 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 1 0 0 0 21 38 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$