RDKit 3D 43 45 0 0 0 0 0 0 0 0999 V2000 -4.4280 -2.0585 -2.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 -0.8560 -1.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 -0.3535 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -1.0493 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8679 -2.2637 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -2.7620 -1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 -0.5021 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 0.7318 1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 2.0036 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 3.1568 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 3.0578 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.7980 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 0.6453 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -0.6000 0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -1.0259 -0.9669 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -0.0672 -1.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 -2.4525 -1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.7795 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -0.1121 -1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -0.1325 -0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.8350 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 -1.4572 0.7188 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 -1.0654 1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -1.1496 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -2.3187 0.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6436 -0.0367 0.4270 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2119 4.4780 1.4464 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3970 4.5207 1.8093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 5.4742 1.2832 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8498 -2.4453 -3.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6755 -0.3046 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7079 0.5892 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -2.8302 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 -3.6961 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 -0.2799 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -1.2727 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 2.0833 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 3.9412 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 1.7360 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 0.3805 -2.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 0.3412 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -1.9894 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -0.2418 2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 10 27 1 0 27 28 2 0 27 29 1 0 6 1 1 0 13 8 1 0 22 18 1 0 1 30 1 0 2 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 M CHG 3 26 -1 27 1 29 -1 M END