Ketcher 04141614092D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 -3.9203 3.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 3.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8283 2.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 3.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 0.6168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 2.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 0.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 2.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 -1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 1.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 3.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 4.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -0.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 11 9 1 6 0 0 11 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 14 12 1 0 0 0 13 15 2 0 0 0 12 16 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 17 21 1 1 0 0 21 22 1 0 0 0 21 23 2 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 12 29 1 1 0 0 M END