RDKit 3D 38 41 0 0 0 0 0 0 0 0999 V2000 4.7991 0.7531 1.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 1.0520 0.6725 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 0.4881 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 -0.4066 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -1.0089 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -0.6967 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.1954 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 0.7927 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7762 1.7116 -1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -1.3424 -1.6432 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 -1.5094 -0.7879 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8706 -0.2576 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 0.8683 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 1.9619 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 3.1266 -1.8421 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 1.9677 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5849 0.8300 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5182 0.8034 1.6996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -0.2683 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 -1.5637 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -1.7861 1.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -2.1477 0.5067 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6519 -1.9655 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 -2.6232 1.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 1.0784 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 -0.3744 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7626 1.1756 2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -0.6824 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 0.4357 -2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 1.9081 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -2.2041 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 0.8478 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 3.2133 -2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 2.8313 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 0.0102 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 -1.6013 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -2.3430 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 -3.2699 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 8 2 0 8 9 1 0 8 7 1 0 7 6 2 0 6 10 1 0 10 11 1 0 11 22 1 0 22 21 1 0 21 20 1 0 20 19 1 0 19 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 22 23 1 0 23 24 2 0 23 5 1 0 5 4 2 0 4 3 1 0 5 6 1 0 12 11 1 0 17 19 1 0 1 25 1 0 1 26 1 0 1 27 1 0 9 30 1 0 7 29 1 0 11 31 1 6 22 38 1 6 20 36 1 0 20 37 1 0 13 32 1 0 15 33 1 0 16 34 1 0 18 35 1 0 4 28 1 0 M END