J0A Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 55 0 0 0 0 0 0 0 0999 V2000 -3.2255 -3.7083 -0.1544 C 0 0 0 0 0 -3.9579 -2.5319 -0.5017 O 0 0 0 0 0 -3.2862 -1.3505 -0.4568 C 0 0 0 0 0 -1.9695 -1.3371 -0.0987 C 0 0 0 0 0 -1.2721 -0.1213 -0.0526 C 0 0 0 0 0 0.0897 -0.0698 0.3197 C 0 0 0 0 0 0.8290 -1.2894 0.7068 C 0 0 0 0 0 2.1661 -1.3255 0.5504 C 0 0 0 0 0 2.7965 -0.1002 -0.0105 C 0 0 0 0 0 2.4567 0.0039 -1.4989 C 0 0 0 0 0 4.2942 0.0947 0.1729 C 0 0 0 0 0 5.0044 -0.4501 -0.9407 O 0 0 0 0 0 6.3440 -1.0736 -0.5753 S 0 0 0 0 0 6.9944 -1.3749 -1.8032 O 0 0 0 0 0 6.9164 -0.2397 0.4230 O 0 0 0 0 0 6.0257 -2.5259 0.1535 N 0 0 0 0 0 4.4966 1.6306 0.2434 C 0 0 0 0 0 3.0765 2.2614 0.1957 C 0 0 0 0 0 2.1852 1.1312 0.7155 C 0 0 0 0 0 0.7441 1.1663 0.3349 C 0 0 0 0 0 0.0717 2.3288 0.0097 C 0 0 0 0 0 -1.2472 2.3019 -0.3414 C 0 0 0 0 0 -1.9436 1.0826 -0.3817 C 0 0 0 0 0 -3.3012 1.0365 -0.7466 C 0 0 0 0 0 -3.9521 -0.1608 -0.7860 C 0 0 0 0 0 -5.2635 -0.2024 -1.1443 O 0 0 0 0 0 -6.2282 -0.0582 0.0234 S 0 0 0 0 0 -7.5259 -0.3231 -0.4932 O 0 0 0 0 0 -5.6601 -0.7842 1.1059 O 0 0 0 0 0 -6.2194 1.5350 0.4742 N 0 0 0 0 0 -2.8564 -3.6189 0.8667 H 0 0 0 0 0 -3.8782 -4.5778 -0.2314 H 0 0 0 0 0 -2.3830 -3.8258 -0.8358 H 0 0 0 0 0 -1.4655 -2.2604 0.1497 H 0 0 0 0 0 0.3028 -2.1414 1.1125 H 0 0 0 0 0 2.7476 -2.1956 0.8156 H 0 0 0 0 0 1.3757 0.0721 -1.6208 H 0 0 0 0 0 2.9264 0.8943 -1.9179 H 0 0 0 0 0 2.8256 -0.8804 -2.0178 H 0 0 0 0 0 4.6251 -0.3737 1.0997 H 0 0 0 0 0 6.6594 -3.2565 0.0772 H 0 0 0 0 0 5.2064 -2.6456 0.6584 H 0 0 0 0 0 4.9950 1.8994 1.1745 H 0 0 0 0 0 5.0856 1.9698 -0.6088 H 0 0 0 0 0 3.0176 3.1309 0.8492 H 0 0 0 0 0 2.8069 2.5299 -0.8262 H 0 0 0 0 0 2.2881 1.0236 1.7951 H 0 0 0 0 0 0.5960 3.2722 0.0341 H 0 0 0 0 0 -1.7563 3.2212 -0.5889 H 0 0 0 0 0 -3.8256 1.9474 -0.9976 H 0 0 0 0 0 -5.6578 2.1695 0.0016 H 0 0 0 0 0 -6.7760 1.8346 1.2101 H 0 0 0 0 0 14 13 2 0 0 0 16 13 1 0 0 0 10 9 1 0 0 0 13 12 1 0 0 0 13 15 2 0 0 0 12 11 1 0 0 0 8 9 1 0 0 0 8 7 2 0 0 0 9 11 1 0 0 0 9 19 1 0 0 0 7 6 1 0 0 0 11 17 1 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 4 3 2 0 0 0 4 5 1 0 0 0 17 18 1 0 0 0 6 5 2 0 0 0 6 20 1 0 0 0 19 20 1 0 0 0 19 18 1 0 0 0 3 25 1 0 0 0 5 23 1 0 0 0 20 21 2 0 0 0 25 26 1 0 0 0 25 24 2 0 0 0 23 24 1 0 0 0 23 22 2 0 0 0 21 22 1 0 0 0 26 27 1 0 0 0 30 27 1 0 0 0 27 28 2 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 8 36 1 0 0 0 10 37 1 0 0 0 10 38 1 0 0 0 10 39 1 0 0 0 11 40 1 0 0 0 16 41 1 0 0 0 16 42 1 0 0 0 17 43 1 0 0 0 17 44 1 0 0 0 18 45 1 0 0 0 18 46 1 0 0 0 19 47 1 0 0 0 21 48 1 0 0 0 22 49 1 0 0 0 24 50 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 M END $$$$