B2SEV3 -OEChem-04042104113D 42 44 0 1 0 0 0 0 0999 V2000 0.5033 -1.4242 1.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 2.2653 0.4604 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 1.6235 0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -0.4683 2.3838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 -2.8423 1.6485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 -0.6221 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0268 2.2454 -0.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -1.1467 -0.0362 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.8368 0.2296 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 0.2576 -0.2987 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7487 0.6485 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -1.9342 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 -0.3775 -2.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 -1.8213 -2.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 0.3371 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 -0.9632 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 0.3618 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9247 -1.9324 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7809 0.6910 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 -0.2733 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 -1.5905 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 1.8438 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 1.5818 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 3.3103 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 0.9590 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 1.6284 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 0.7614 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -2.9892 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -1.5740 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 -0.2051 -2.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.2204 -3.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 -2.4370 -3.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -2.2248 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 1.1223 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -2.9636 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -2.3401 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 1.5583 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 1.2363 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5301 -0.3657 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2761 3.6150 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 3.9318 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 3.5148 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 6 15 2 0 0 0 0 7 23 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$