RDKit 3D 44 45 0 0 0 0 0 0 0 0999 V2000 3.5206 0.1072 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 0.1682 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.1994 2.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9121 0.1891 0.0773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 0.2475 -0.4584 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3860 1.5619 -1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 2.5334 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 3.5540 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 2.5054 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 1.5225 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 0.4599 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 0.3836 0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -0.5196 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -0.6580 2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -1.3757 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 -1.4416 -1.1749 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9343 -2.8439 -1.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -3.2598 -0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 -4.4406 -0.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -2.1030 -0.7207 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3553 -2.3951 -1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -0.9516 -1.3309 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7504 1.1203 2.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 -0.0640 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 -0.6827 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 0.2674 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 1.3978 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 1.9536 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 3.9123 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 3.1254 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 4.3786 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 3.2361 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4242 2.1894 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1192 1.1936 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -1.6920 2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -0.2773 2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 -0.0516 2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 -2.0969 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 -1.0988 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 -1.9179 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 -2.1634 -2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.8928 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -3.4971 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 -0.7833 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 21 20 1 0 20 22 1 0 22 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 16 15 1 0 15 13 2 0 13 14 1 0 13 11 1 0 11 12 2 0 11 10 1 0 10 9 1 0 9 7 2 0 7 8 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 18 20 1 0 5 22 1 0 21 41 1 0 21 42 1 0 21 43 1 0 20 40 1 1 22 44 1 6 16 39 1 6 15 38 1 0 14 35 1 0 14 36 1 0 14 37 1 0 10 33 1 0 10 34 1 0 9 32 1 0 8 29 1 0 8 30 1 0 8 31 1 0 6 27 1 0 6 28 1 0 5 26 1 1 1 23 1 0 1 24 1 0 1 25 1 0 M END