AQ3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 51 52 0 0 0 0 0 0 0 0999 V2000 3.5000 2.1576 0.0635 O 0 0 0 0 0 4.0691 1.0200 -0.4180 C 0 0 0 0 0 5.3137 1.0700 -1.0245 C 0 0 0 0 0 5.8910 -0.0871 -1.5152 C 0 0 0 0 0 5.2310 -1.2965 -1.4011 C 0 0 0 0 0 3.9891 -1.3543 -0.7963 C 0 0 0 0 0 3.4057 -0.1986 -0.2977 C 0 0 0 0 0 2.1505 -0.2563 0.3197 N 0 0 0 0 0 -7.5751 -1.4706 -1.6586 O 0 0 0 0 0 -6.1974 -1.7800 -0.8849 P 0 0 0 0 0 -6.4983 -2.3141 0.4622 O 0 0 0 0 0 -5.3468 -2.8654 -1.7158 O 0 0 0 0 0 -5.3438 -0.4214 -0.7450 O 0 0 0 0 0 -4.1182 -0.3449 -0.0137 C 0 0 0 0 0 -3.5807 1.0617 -0.0815 C 0 0 0 0 0 -4.2653 2.0393 -0.7791 C 0 0 0 0 0 -3.8039 3.2726 -0.8456 N 0 0 0 0 0 -2.3970 1.3907 0.5580 C 0 0 0 0 0 -1.9421 2.7032 0.4723 C 0 0 0 0 0 -0.7826 3.0711 1.0790 O 0 0 0 0 0 -2.6796 3.6254 -0.2555 C 0 0 0 0 0 -2.1983 5.0497 -0.3573 C 0 0 0 0 0 -1.6220 0.3539 1.3289 C 0 0 0 0 0 -0.6606 -0.3052 0.4342 N 0 0 0 0 0 0.1141 -1.3245 1.1526 C 0 0 0 0 0 -0.6555 -2.6198 1.1726 C 0 0 0 0 0 -0.1383 -3.6991 1.7790 O 0 0 0 0 0 -1.7397 -2.6865 0.6424 O 0 0 0 0 0 1.4543 -1.5393 0.4456 C 0 0 0 0 0 3.7257 2.3502 0.9838 H 0 0 0 0 0 5.8330 2.0127 -1.1158 H 0 0 0 0 0 6.8615 -0.0454 -1.9884 H 0 0 0 0 0 5.6852 -2.1973 -1.7849 H 0 0 0 0 0 3.4742 -2.2997 -0.7088 H 0 0 0 0 0 1.7426 0.5535 0.6652 H 0 0 0 0 0 -8.1408 -2.2451 -1.7791 H 0 0 0 0 0 -5.1142 -2.5814 -2.6100 H 0 0 0 0 0 -4.2988 -0.6145 1.0267 H 0 0 0 0 0 -3.3925 -1.0322 -0.4472 H 0 0 0 0 0 -5.1912 1.7892 -1.2770 H 0 0 0 0 0 -0.8982 3.3933 1.9840 H 0 0 0 0 0 -1.5491 5.1525 -1.2268 H 0 0 0 0 0 -3.0554 5.7155 -0.4625 H 0 0 0 0 0 -1.6432 5.3117 0.5437 H 0 0 0 0 0 -1.0857 0.8348 2.1477 H 0 0 0 0 0 -2.3104 -0.3886 1.7323 H 0 0 0 0 0 -0.0522 0.3711 -0.0029 H 0 0 0 0 0 0.2929 -0.9918 2.1750 H 0 0 0 0 0 -0.6693 -4.5073 1.7664 H 0 0 0 0 0 1.2791 -1.9562 -0.5465 H 0 0 0 0 0 2.0659 -2.2289 1.0267 H 0 0 0 0 0 28 26 2 0 0 0 27 26 1 0 0 0 26 25 1 0 0 0 20 19 1 0 0 0 22 21 1 0 0 0 25 24 1 0 0 0 25 29 1 0 0 0 24 23 1 0 0 0 1 2 1 0 0 0 19 21 2 0 0 0 19 18 1 0 0 0 21 17 1 0 0 0 8 29 1 0 0 0 8 7 1 0 0 0 23 18 1 0 0 0 18 15 2 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 17 16 2 0 0 0 7 6 1 0 0 0 3 4 2 0 0 0 15 16 1 0 0 0 15 14 1 0 0 0 13 14 1 0 0 0 13 10 1 0 0 0 6 5 2 0 0 0 11 10 2 0 0 0 9 10 1 0 0 0 4 5 1 0 0 0 10 12 1 0 0 0 1 30 1 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 5 33 1 0 0 0 6 34 1 0 0 0 8 35 1 0 0 0 9 36 1 0 0 0 12 37 1 0 0 0 14 38 1 0 0 0 14 39 1 0 0 0 16 40 1 0 0 0 20 41 1 0 0 0 22 42 1 0 0 0 22 43 1 0 0 0 22 44 1 0 0 0 23 45 1 0 0 0 23 46 1 0 0 0 24 47 1 0 0 0 25 48 1 0 0 0 27 49 1 0 0 0 29 50 1 0 0 0 29 51 1 0 0 0 M END $$$$