RDKit 3D 58 60 0 0 0 0 0 0 0 0999 V2000 2.3116 0.8219 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -0.3401 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 -0.3539 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -1.6336 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 -2.3532 -0.4346 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -1.5812 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9145 -2.1841 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 -3.3872 -1.7454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7485 -1.3283 -1.9558 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3441 -1.7567 -3.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -1.5801 -0.8191 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 -0.0607 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 0.8040 -1.9456 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0897 1.8769 -1.7251 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 1.6504 -0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 0.4016 -0.1275 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 -0.3282 0.9886 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5815 -0.6094 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0589 -1.6625 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9404 -1.1208 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 0.3556 2.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 0.7077 3.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 0.4732 2.4005 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7445 2.5794 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7571 3.2107 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8697 4.0904 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 4.1251 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 3.0967 -1.0942 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4102 -2.2579 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 0.7648 1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 1.9430 0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 0.3600 1.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 1.4305 2.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 0.4957 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 1.4552 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 1.4391 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -3.3249 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -0.2818 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 -1.6759 -4.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 -1.1219 -3.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -2.7981 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 -1.3134 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1517 0.3088 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 -1.3647 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5686 -2.6261 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 -1.8183 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -2.0057 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 -0.3599 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0002 -1.3966 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 3.0474 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0696 4.6662 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5494 4.7070 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -3.2587 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2294 -1.6540 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5367 -2.3565 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 2.0372 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4029 2.0511 3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 0.9944 3.1097 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 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 1 0 18 20 1 0 17 21 1 0 21 22 2 0 21 23 1 0 15 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 4 29 1 0 3 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 6 2 2 0 16 12 1 0 28 24 1 0 1 34 1 0 1 35 1 0 1 36 1 0 5 37 1 0 9 38 1 6 10 39 1 0 10 40 1 0 10 41 1 0 17 42 1 1 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 29 53 1 0 29 54 1 0 29 55 1 0 33 56 1 0 33 57 1 0 33 58 1 0 M CHG 1 23 -1 M END