RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 0.2454 1.8687 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 0.5069 0.6033 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4901 0.6235 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 1.1104 0.1894 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9706 0.6683 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 0.0360 -1.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4504 -0.1539 -1.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1241 0.3235 -0.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.8182 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 0.7206 1.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 -0.0930 2.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -0.4677 3.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.5619 1.5367 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2064 -1.0565 2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -0.7765 2.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 -1.2164 2.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0099 0.0183 0.9518 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4236 1.2622 1.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -0.6514 0.3921 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5068 -0.0329 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -0.6948 1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7991 1.3158 0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 -0.6071 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -1.4969 -1.5588 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0993 -1.6072 -2.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.9471 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 0.1907 -0.0784 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2820 1.7931 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 2.5624 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 2.3459 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 -0.4285 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 1.2232 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 2.2370 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -0.2328 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8489 -0.6430 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 1.2927 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -1.4334 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 -2.1670 2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 -0.6485 3.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 1.9340 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 -1.7263 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7063 1.6921 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1675 -1.0732 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 0.4298 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -2.4889 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3265 -2.5527 -3.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 -0.5652 -1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.7735 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 1.1228 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 1 17 19 1 0 19 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 19 20 1 0 20 22 1 0 20 21 2 0 4 5 1 0 5 9 2 0 9 8 1 0 8 7 1 0 7 6 2 0 13 2 1 0 27 17 1 0 6 5 1 0 27 2 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 1 13 37 1 6 14 38 1 0 14 39 1 0 18 40 1 0 19 41 1 6 23 43 1 0 23 44 1 0 24 45 1 1 25 46 1 0 26 47 1 0 26 48 1 0 27 49 1 6 22 42 1 0 9 36 1 0 7 35 1 0 6 34 1 0 M END