RDKit 3D 40 41 0 0 0 0 0 0 0 0999 V2000 2.8874 2.7699 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 1.5241 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 1.3352 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 0.1352 0.9912 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1802 0.3651 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 1.3652 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 2.5187 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 1.3278 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 -0.7302 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -2.0124 0.7592 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1856 -3.1150 0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1972 -1.9816 -0.1734 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2822 -3.3925 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.0671 0.4321 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8959 -0.8007 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 0.5689 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 2.5682 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 3.6242 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 2.9251 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 2.0942 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -0.1162 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 3.2368 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 3.1174 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 2.1604 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 2.3037 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.5428 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6744 1.1418 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 -0.7655 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -0.4953 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 -2.2143 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -3.3597 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5582 -1.5801 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -4.0789 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 -3.8033 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 -3.4971 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -1.6380 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -1.1176 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -1.4946 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 1.0502 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 0.5851 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 12 10 1 0 10 11 1 0 10 9 1 0 9 5 1 0 5 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 2 16 1 0 16 15 1 0 15 14 1 0 5 6 2 3 6 7 1 0 6 8 1 0 14 12 1 0 14 4 1 0 13 33 1 0 13 34 1 0 13 35 1 0 12 32 1 6 10 30 1 1 11 31 1 0 9 28 1 0 9 29 1 0 4 21 1 1 3 20 1 0 1 17 1 0 1 18 1 0 1 19 1 0 16 39 1 0 16 40 1 0 15 37 1 0 15 38 1 0 14 36 1 1 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 M END