B8IY3J -OEChem-04022114033D 33 35 0 1 0 0 0 0 0999 V2000 -4.7526 1.8847 -2.1324 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.4819 1.7702 0.2002 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 0.3643 1.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.9545 -1.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -2.1089 -0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2655 2.5490 0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 0.2906 0.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 1.9827 0.1815 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -1.5737 0.4454 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 -0.8059 0.3905 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -3.0812 0.5593 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -0.7666 -1.0235 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5300 -0.4341 0.3586 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5707 -0.8650 -0.7518 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7839 0.2428 0.2720 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0964 1.5907 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.2715 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 1.6456 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 0.7943 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2777 0.4900 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -1.7434 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 0.0531 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 -1.3267 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1836 -0.7810 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -0.0088 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 1.9337 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 1.5406 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -2.1475 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -2.1108 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 2.3360 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 3.3982 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 -3.8279 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 -3.2742 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 9 21 2 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 21 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$