RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 8.8431 0.4339 -1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 1.4478 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 2.0779 -0.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 1.5574 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 0.3598 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -0.0590 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3828 0.7299 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5898 1.9143 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 2.3455 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 2.6535 -0.6538 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 1.3814 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 0.4441 0.6357 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 1.3495 0.3085 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.3052 1.0186 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1829 0.8335 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 2.0061 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 2.3536 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 3.3518 -0.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 2.7851 0.2975 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1760 0.0743 1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -0.4004 2.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -0.2003 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -0.5542 2.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 -0.8724 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1051 -0.8278 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1014 -0.4535 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 -0.1817 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3949 -0.4041 -1.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 0.9627 -2.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 -1.0638 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 -1.2165 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7715 -2.4880 -1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 -3.6230 -0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -3.4810 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -2.2196 1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 -4.6128 1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 0.9092 -2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1126 -0.3707 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 -0.0044 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1428 2.2390 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3174 1.0145 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6178 -0.2899 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.9951 1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 3.2794 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 0.2534 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 -0.5677 3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6148 -1.1369 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0983 -1.0607 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 0.0737 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6137 1.5714 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4043 1.4042 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4085 0.9730 -3.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -0.3427 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -2.5891 -2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -4.6113 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -2.1130 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -4.3452 2.2473 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 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 16 17 1 0 17 18 2 0 16 19 1 0 15 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 14 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 9 4 1 0 12 7 1 0 17 13 1 0 27 22 1 0 35 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 14 45 1 1 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 29 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 35 56 1 0 36 57 1 0 M CHG 1 19 -1 M END