RDKit 3D 59 61 0 0 0 0 0 0 0 0999 V2000 -3.1371 -3.9456 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -2.4982 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9727 -1.9661 -0.6864 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1096 -2.6390 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8786 -0.4843 -0.6174 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 0.0886 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -0.5600 -1.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4466 1.5544 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 2.2853 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 1.6635 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 0.3230 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 -0.1693 -0.4096 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 3.5029 -0.1820 O 0 0 0 0 0 1 0 0 0 0 0 0 0.0220 2.0177 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 3.5095 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 4.0418 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 5.3973 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 6.2060 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 5.6348 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 4.3377 0.2026 N 0 0 0 0 0 4 0 0 0 0 0 0 0.8198 1.3652 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 1.6985 1.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 0.9530 2.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.2157 2.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7772 -1.0355 3.8409 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -0.5728 1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 0.3562 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 0.4067 -0.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -1.7751 0.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4306 -1.6799 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -3.1033 1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 -4.2669 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 2.5859 2.5458 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5198 -4.6297 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -4.2299 -3.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -4.0842 -2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -1.8739 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6373 -2.4305 -2.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -2.2608 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -2.4418 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -3.7253 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -2.2697 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5498 2.2903 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 1.6859 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 3.3841 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 5.8092 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 7.2614 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 6.1749 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 3.9279 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 1.2463 3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 -1.7987 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -0.7144 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 -2.4662 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 -1.7893 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 -3.0007 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -3.3707 2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -5.1813 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 -4.4569 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -4.0722 -0.7515 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 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 9 13 1 0 8 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 22 33 1 0 11 5 1 0 20 15 1 0 27 21 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 1 4 40 1 0 4 41 1 0 4 42 1 0 10 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 23 50 1 0 29 51 1 6 30 52 1 0 30 53 1 0 30 54 1 0 31 55 1 0 31 56 1 0 32 57 1 0 32 58 1 0 32 59 1 0 M CHG 3 13 -1 20 1 33 -1 M END