B1DTQ3 -OEChem-04022108353D 45 48 0 1 0 0 0 0 0999 V2000 4.7357 -2.6564 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 1.8020 -0.2872 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -0.3418 1.3805 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1983 -1.2874 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 0.7758 1.2569 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2413 1.8986 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 0.6749 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -0.3738 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 0.2324 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 3.1242 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 2.9519 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 3.7847 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5056 0.6063 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 -1.4903 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 0.3090 1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -0.3454 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.5621 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -0.5161 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -0.7762 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -0.1964 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -0.8508 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 -0.7031 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 -2.3947 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 -2.6653 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 1.1921 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 -1.1096 2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 3.4950 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 3.1087 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 4.7637 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 1.4009 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -2.3178 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 0.7558 2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 -0.4128 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 -0.5080 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 -0.1333 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -1.2850 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7142 -1.0647 0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2702 -0.9689 -0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 0.3915 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -2.8832 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 -3.1645 -1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -2.0474 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6228 -1.8582 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 -2.6524 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 -3.6086 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$