RDKit 3D 52 57 0 0 0 0 0 0 0 0999 V2000 4.4051 3.1325 1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 1.7630 0.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 1.0405 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 1.4980 0.9342 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -0.3657 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 -1.1086 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5612 -2.4268 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 -3.0075 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -2.2760 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -0.9498 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 -0.1351 0.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 1.1629 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 1.7084 0.6467 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 0.7914 0.2231 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.2977 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -1.6877 -0.7496 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.9947 -2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 -0.0009 -2.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 0.8702 -2.8816 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 -0.1965 -0.9304 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8596 0.6776 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 0.7324 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 1.1715 1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 1.1290 3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 0.6585 3.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7633 0.2222 2.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3549 0.2615 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.1185 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 0.1093 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 -0.1564 -2.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8873 -0.6681 -2.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7401 -0.8998 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -0.6246 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 3.7863 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8739 3.1851 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 3.4816 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5809 -0.6619 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -2.9998 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2889 -4.0398 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -2.7981 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2574 -1.8220 -2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9311 -0.5031 -2.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -0.8912 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 1.6886 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.5390 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 1.4678 4.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 0.6364 4.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7502 -0.1353 2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9439 0.0346 -3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2341 -0.8847 -3.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -1.2951 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9925 -0.8024 0.6826 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 12 2 1 0 10 5 1 0 15 11 1 0 29 21 1 0 27 22 1 0 33 28 1 0 1 34 1 0 1 35 1 0 1 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 17 41 1 0 17 42 1 0 20 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 30 49 1 0 31 50 1 0 32 51 1 0 33 52 1 0 M END