B1THZ8 -OEChem-04022118443D 44 47 0 0 0 0 0 0 0999 V2000 1.9006 2.1905 -1.5931 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5989 1.4046 1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 2.3041 1.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 0.7958 -0.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -0.9144 1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 -0.1630 -0.2757 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 1.4507 -0.7633 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 0.3921 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 0.3954 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3261 -0.5683 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -0.9458 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 1.1551 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.5289 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8425 -0.5408 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4084 0.4301 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -0.3178 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 1.4418 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -2.3383 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -1.0821 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6754 -1.4934 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 -3.1025 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 -2.4745 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7797 0.4777 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0533 -1.4593 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 -0.4755 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7999 -0.4283 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 1.5400 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 2.8549 -0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 -1.5245 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 2.3009 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -1.2977 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4276 0.7576 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -2.8579 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 -2.2675 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1669 -4.1865 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3382 -3.0849 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2057 1.2434 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6984 -2.2014 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6752 -0.4541 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2489 1.7280 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 0.9633 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8476 3.4509 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 3.4331 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7356 2.6814 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 23 2 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$