RDKit 3D 49 49 0 0 0 0 0 0 0 0999 V2000 7.0463 -0.6894 2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 0.2730 1.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.1039 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 -1.0514 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -1.2251 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0427 -0.2807 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -0.4563 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 0.4285 -2.3217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -1.5933 -1.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1494 -1.7895 -1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -0.7115 -1.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -1.0352 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -2.4491 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2301 0.0173 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 0.0588 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 1.1729 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7548 0.9381 1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7359 2.0160 1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1152 -0.4567 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 0.8726 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 1.0697 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 2.1864 -0.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 3.1753 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 -1.6976 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0228 -0.4480 2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 -0.7242 3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.8146 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -2.1102 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5753 -2.7994 -1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -1.7139 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 0.3206 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -2.9835 -1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 -2.9670 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -2.5846 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 1.0315 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2166 -0.1205 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -0.8732 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 0.3455 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 2.1922 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 2.7644 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7747 1.6199 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 2.5577 2.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1663 -0.5430 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -0.8082 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9952 -1.1397 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 1.6394 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3439 3.5127 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.7296 -2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 4.0399 -1.4141 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 4 5 1 0 5 6 2 0 6 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 17 19 1 0 21 3 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 20 46 1 0 23 47 1 0 23 48 1 0 23 49 1 0 10 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 M END