BRU7J5 -OEChem-04022115553D 50 52 0 1 0 0 0 0 0999 V2000 2.1681 2.0734 -1.4375 P 0 0 1 0 0 0 0 0 0 0 0 0 3.2436 0.5931 0.8810 P 0 0 2 0 0 0 0 0 0 0 0 0 3.6041 -2.2907 0.5427 P 0 3 0 0 0 0 0 0 0 0 0 0 -0.3649 2.2192 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 1.7687 2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 4.1204 1.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 1.5607 0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 3.1275 -1.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 0.9884 -2.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 -0.8471 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 0.4221 2.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 1.0763 0.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -3.3506 -0.5101 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 -2.3070 0.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 -2.7763 2.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 -0.1776 0.2488 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 -2.1930 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 -0.7785 -0.7153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -3.1827 -1.1059 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.6871 -0.5782 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 1.3221 0.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8396 1.7165 1.2949 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5097 2.9162 -0.7395 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7653 2.0578 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 3.0845 0.7720 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2566 -1.0557 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 -0.9080 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 3.1046 -1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 -2.2996 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 -3.3887 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 -1.9092 -1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 1.6563 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 1.0046 1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 3.8667 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 1.3772 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 2.7100 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 3.3157 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 2.1154 3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 4.9494 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1639 -0.4531 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 3.8850 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 3.5719 -2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -1.7803 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 4.0806 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 -4.8435 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -5.4622 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -0.0544 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -4.2852 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 -3.1550 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -3.6719 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 28 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 25 1 0 0 0 0 6 39 1 0 0 0 0 8 44 1 0 0 0 0 11 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 27 2 0 0 0 0 17 29 1 0 0 0 0 18 26 2 0 0 0 0 18 31 1 0 0 0 0 19 30 1 0 0 0 0 19 31 2 0 0 0 0 20 30 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 25 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 29 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 31 43 1 0 0 0 0 M CHG 1 3 1 M END $$$$