BTHR53 -OEChem-04042103103D 43 46 0 1 0 0 0 0 0999 V2000 0.4433 -2.3142 0.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 1.5207 -2.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 0.8939 -0.9018 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2932 -3.6681 0.9625 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0735 -1.9728 -0.6282 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 0.1487 0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7082 -1.2770 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 -0.2750 -0.7238 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4225 -0.2766 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 -1.2539 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 0.7915 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 0.1659 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -1.5665 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 0.9523 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 -2.4940 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4601 0.1527 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4945 0.1950 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 1.4660 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 1.5601 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -1.7911 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 0.1687 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8891 0.2109 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 2.5876 1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 2.6818 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5693 0.1979 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 3.1955 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 0.6880 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -1.7495 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -1.8960 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -0.2311 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 1.6447 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 0.1117 -1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.2035 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 1.0069 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 1.1738 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 -3.9109 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 -4.2948 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3848 0.1542 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.2329 2.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 2.9852 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 3.1555 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6552 0.2091 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 4.0683 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 20 3 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 21 25 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$