RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 4.9897 -0.0535 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 0.9211 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.8855 -0.0795 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1012 -0.4854 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -0.5640 -0.4111 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0049 -1.8034 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -2.8928 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -1.9330 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 -0.7593 -0.7963 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4606 -0.9462 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 0.2346 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 1.4268 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 1.6740 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 0.5029 -0.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1178 0.6694 0.1024 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3013 0.8437 1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 1.8024 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 2.6830 -1.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 1.8889 -0.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 -0.0688 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.0301 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 0.3659 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3939 1.9457 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 0.7684 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 1.1454 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -1.0755 -0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -1.0264 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -0.5205 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -2.6362 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -3.1391 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -3.8389 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -2.8212 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 -0.6655 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -1.0100 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -1.9134 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0476 0.4692 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 0.0357 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 2.3005 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 1.2727 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 2.5712 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 1.8198 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 0.2941 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 1.8055 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 -0.0320 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 0.8886 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 15 17 1 0 17 18 2 0 17 19 1 0 19 3 1 0 15 5 1 0 14 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 1 4 26 1 0 4 27 1 0 5 28 1 6 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 6 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 1 16 43 1 0 16 44 1 0 16 45 1 0 M END