RDKit 3D 42 45 0 0 0 0 0 0 0 0999 V2000 3.7264 3.1775 0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 2.9048 0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 1.5925 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 1.0954 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 -0.2462 0.2369 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8112 -1.0392 1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 -2.4880 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 -3.1306 0.2371 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -2.3907 -0.9919 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4475 -2.4606 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.3018 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -1.3211 -1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -0.3306 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -0.3356 -1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 0.6957 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8701 1.7075 0.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 2.7855 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 0.7261 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -0.2799 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -1.0034 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -0.5375 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 0.8352 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 1.2694 -1.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 2.8155 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 4.2832 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.8083 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 1.7989 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -0.6132 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -0.8983 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5725 -2.7180 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -3.0117 2.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0431 -3.5361 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 -2.8863 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -2.5901 -2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -3.3696 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -2.1356 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 0.3947 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 2.4831 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 3.3884 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7984 3.4807 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 1.5202 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 -1.1383 -2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 5 4 1 1 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 2 0 9 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 3 1 0 19 5 1 0 20 5 1 0 19 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 6 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 12 36 1 0 14 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 21 42 1 0 M END