D00035 -OEChem-05072121432D 44 46 0 1 0 0 0 0 0999 V2000 10.6404 0.8209 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 -2.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9276 -1.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 0.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -0.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 1.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 0.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2282 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6404 -0.7971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6811 0.5160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6811 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 1.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3369 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5581 1.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 0.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -0.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 -0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1371 1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4719 -3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 2.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 0.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 2.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 25 1 0 0 0 0 6 44 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 35 1 0 0 0 0 19 9 1 1 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$