RDKit 3D 60 62 0 0 0 0 0 0 0 0999 V2000 2.1991 4.0710 3.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6222 3.8435 2.7912 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 2.5947 3.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 4.2307 1.2004 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 5.5057 0.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 4.0280 1.1043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 2.9764 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0605 3.2205 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 2.2276 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 1.0019 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 0.7897 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 1.7737 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.1212 -2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 -1.1330 -2.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -0.0818 -2.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 0.7159 -3.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 0.4322 -3.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 0.9978 -3.5569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 -0.5560 -2.0784 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -0.9276 -1.5616 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6751 -2.4182 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -3.1728 -2.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -4.5452 -2.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -5.1876 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -4.4437 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -3.0700 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9786 -5.1063 0.4392 N 0 0 0 0 0 4 0 0 0 0 0 0 1.0834 -6.3427 0.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -4.3990 1.3614 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4432 -0.7859 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 0.3031 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4841 -0.2010 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 -0.8517 1.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -1.2510 2.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1388 -0.0885 3.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.5870 -4.0995 O 0 0 0 0 0 1 0 0 0 0 0 0 1.5586 3.3402 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 3.9800 4.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 5.0866 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2245 2.4846 3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 2.6344 4.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 1.7200 2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5601 4.1754 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 2.4532 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 -0.1481 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 1.5874 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 -0.5909 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5582 -2.6777 -3.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -5.0996 -3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -6.2526 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -2.4883 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -1.7931 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2738 -0.7827 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.1215 -0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7783 0.7436 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -1.7417 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 -0.1489 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4176 -1.8722 2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0235 -1.7936 3.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 0.4463 2.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 10 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 27 29 1 0 19 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 16 36 1 0 12 7 1 0 20 15 1 0 26 21 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 8 43 1 0 9 44 1 0 11 45 1 0 12 46 1 0 20 47 1 1 22 48 1 0 23 49 1 0 24 50 1 0 26 51 1 0 30 52 1 0 30 53 1 0 31 54 1 0 31 55 1 0 33 56 1 0 33 57 1 0 34 58 1 0 34 59 1 0 35 60 1 0 M CHG 3 27 1 29 -1 36 -1 M END