B89BJS -OEChem-04022113213D 45 45 0 1 0 0 0 0 0999 V2000 -2.4874 3.4494 1.4042 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 0.8183 -2.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 1.6106 1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 0.8479 -0.0531 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 -2.8558 0.1312 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 2.6140 -1.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 -4.0724 -0.4421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 -5.2539 -0.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 0.8368 -0.4031 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2884 -0.5890 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.4483 0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 -0.4115 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 0.8214 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 0.8377 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 1.6585 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 -2.8744 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -1.7061 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -0.3192 1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 2.5198 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 -4.0043 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 4.0367 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1302 3.4839 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 1.3444 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 -0.5284 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 -1.0915 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.9926 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 -1.4906 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -0.4571 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 1.7372 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 0.8813 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 0.8763 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -3.4349 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0584 -3.3495 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 -1.7099 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 -2.5756 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.8415 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 -0.2913 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 -1.1802 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 0.5854 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 4.7340 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6076 3.6842 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 -3.2321 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -4.9605 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 -5.3876 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 -6.0901 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 16 1 0 0 0 0 5 20 2 0 0 0 0 6 19 2 0 0 0 0 6 22 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 19 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$