B9R5IX -OEChem-04012116042D 39 41 0 1 0 0 0 0 0999 V2000 5.8055 1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3435 0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 2.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 2.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.5004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3452 1.5004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3919 0.1930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3947 1.8110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0873 2.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6508 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 1.9455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -0.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2408 -0.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 -0.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0915 2.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 3.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 3.9647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2977 3.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 11 2 1 1 0 0 0 2 30 1 0 0 0 0 12 3 1 1 0 0 0 3 31 1 0 0 0 0 15 4 1 6 0 0 0 4 36 1 0 0 0 0 5 21 2 0 0 0 0 13 6 1 6 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 22 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 37 1 0 0 0 0 10 22 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 1 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$