J04 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 55 0 0 0 0 0 0 0 0999 V2000 3.5313 -3.5644 0.7553 C 0 0 0 0 0 4.2852 -2.4857 1.3125 O 0 0 0 0 0 4.1312 -1.2633 0.7373 C 0 0 0 0 0 3.2687 -1.1044 -0.3361 C 0 0 0 0 0 4.8349 -0.1695 1.2286 C 0 0 0 0 0 5.6790 -0.3196 2.2847 O 0 0 0 0 0 7.0379 -0.6465 1.9882 C 0 0 0 0 0 4.6743 1.0782 0.6366 C 0 0 0 0 0 5.3602 2.1507 1.1127 O 0 0 0 0 0 5.1459 3.4017 0.4561 C 0 0 0 0 0 3.8131 1.2270 -0.4408 C 0 0 0 0 0 3.1112 0.1382 -0.9221 C 0 0 0 0 0 2.1728 0.3053 -2.0883 C 0 0 0 0 0 0.8340 0.6399 -1.5944 N 0 3 0 0 0 0.0006 -0.3385 -1.3274 C 0 0 0 0 0 0.5185 1.9170 -1.4309 C 0 0 0 0 0 -0.7043 2.3033 -0.9742 C 0 0 0 0 0 -1.6560 1.3114 -0.6709 C 0 0 0 0 0 -2.9364 1.6272 -0.1966 C 0 0 0 0 0 -1.2880 -0.0483 -0.8517 C 0 0 0 0 0 -2.2157 -1.0603 -0.5525 C 0 0 0 0 0 -3.4547 -0.7224 -0.0931 C 0 0 0 0 0 -4.3513 -1.7018 0.1967 O 0 0 0 0 0 -3.9265 -3.0511 -0.0036 C 0 0 0 0 0 -3.8177 0.6220 0.0815 C 0 0 0 0 0 -5.0602 0.9271 0.5401 O 0 0 0 0 0 -5.1525 1.0252 2.0565 S 0 0 0 0 0 -6.5332 1.1459 2.3673 O 0 0 0 0 0 -4.3271 -0.0087 2.5760 O 0 0 0 0 0 -4.4457 2.4560 2.4993 N 0 0 0 0 0 3.7472 -4.4804 1.3064 H 0 0 0 0 0 2.4676 -3.3387 0.8278 H 0 0 0 0 0 3.8050 -3.6962 -0.2906 H 0 0 0 0 0 2.7184 -1.9535 -0.7163 H 0 0 0 0 0 7.0743 -1.5928 1.4481 H 0 0 0 0 0 7.4755 0.1396 1.3735 H 0 0 0 0 0 7.6006 -0.7371 2.9175 H 0 0 0 0 0 5.4296 3.3154 -0.5923 H 0 0 0 0 0 4.0922 3.6730 0.5261 H 0 0 0 0 0 5.7520 4.1715 0.9340 H 0 0 0 0 0 3.6877 2.1953 -0.9008 H 0 0 0 0 0 2.5327 1.1067 -2.7326 H 0 0 0 0 0 2.1286 -0.6245 -2.6558 H 0 0 0 0 0 0.3042 -1.3638 -1.4737 H 0 0 0 0 0 1.2541 2.6737 -1.6653 H 0 0 0 0 0 -0.9407 3.3495 -0.8479 H 0 0 0 0 0 -3.2239 2.6578 -0.0521 H 0 0 0 0 0 -1.9480 -2.0979 -0.6822 H 0 0 0 0 0 -3.6615 -3.1976 -1.0510 H 0 0 0 0 0 -3.0577 -3.2557 0.6221 H 0 0 0 0 0 -4.7353 -3.7313 0.2650 H 0 0 0 0 0 -4.0739 3.0426 1.8226 H 0 0 0 0 0 -4.4032 2.7063 3.4360 H 0 0 0 0 0 1 2 1 0 0 0 24 23 1 0 0 0 2 3 1 0 0 0 4 3 2 0 0 0 4 12 1 0 0 0 13 12 1 0 0 0 13 14 1 0 0 0 21 22 2 0 0 0 21 20 1 0 0 0 15 14 2 0 0 0 15 20 1 0 0 0 23 22 1 0 0 0 3 5 1 0 0 0 12 11 2 0 0 0 14 16 1 0 0 0 22 25 1 0 0 0 20 18 2 0 0 0 7 6 1 0 0 0 5 6 1 0 0 0 5 8 2 0 0 0 11 8 1 0 0 0 8 9 1 0 0 0 25 26 1 0 0 0 25 19 2 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 16 17 2 0 0 0 9 10 1 0 0 0 26 27 1 0 0 0 28 27 2 0 0 0 27 30 1 0 0 0 27 29 2 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 4 34 1 0 0 0 7 35 1 0 0 0 7 36 1 0 0 0 7 37 1 0 0 0 10 38 1 0 0 0 10 39 1 0 0 0 10 40 1 0 0 0 11 41 1 0 0 0 13 42 1 0 0 0 13 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 17 46 1 0 0 0 19 47 1 0 0 0 21 48 1 0 0 0 24 49 1 0 0 0 24 50 1 0 0 0 24 51 1 0 0 0 30 52 1 0 0 0 30 53 1 0 0 0 M END $$$$