0DB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 67 70 0 0 0 0 0 0 0 0999 V2000 1.9733 0.5062 2.1954 C 0 0 0 0 0 2.8896 0.4421 0.9709 C 0 0 0 0 0 4.0325 -0.5384 1.2410 C 0 0 0 0 0 4.9351 -0.6024 0.0360 C 0 0 0 0 0 6.0093 0.2610 -0.0700 C 0 0 0 0 0 4.6912 -1.5280 -0.9618 C 0 0 0 0 0 6.8366 0.2034 -1.1758 C 0 0 0 0 0 5.5195 -1.5865 -2.0678 C 0 0 0 0 0 6.5907 -0.7185 -2.1757 C 0 0 0 0 0 2.7720 0.9368 3.3986 C 0 0 0 0 0 3.6987 1.7010 3.2670 O 0 0 0 0 0 2.4553 0.4701 4.6164 O 0 0 0 0 0 0.8522 1.5166 1.9399 C 0 0 0 0 0 -0.0762 0.9815 0.8478 C 0 0 0 0 0 -1.2770 1.9271 0.6672 C 0 0 0 0 0 0.6641 0.9466 -0.5047 C 0 0 0 0 0 -1.2241 2.4334 -0.7882 C 0 0 0 0 0 -0.4163 1.3460 -1.5403 C 0 0 0 0 0 -0.5575 -0.4000 1.2105 C 0 0 0 0 0 -0.3079 -0.8621 2.3041 O 0 0 0 0 0 -1.2648 -1.1229 0.3193 N 0 0 0 0 0 -1.7319 -2.4654 0.6720 C 0 0 0 0 0 -0.6393 -3.4663 0.3976 C 0 0 0 0 0 0.4213 -3.0951 -0.0466 O 0 0 0 0 0 -2.9638 -2.8132 -0.1672 C 0 0 0 0 0 -4.0971 -1.8884 0.1974 C 0 0 0 0 0 -5.0732 -2.1323 1.0862 C 0 0 0 0 0 -4.3376 -0.5493 -0.3460 C 0 0 0 0 0 -5.9229 -1.0615 1.1512 N 0 0 0 0 0 -5.5018 -0.0765 0.2866 C 0 0 0 0 0 -3.6816 0.2492 -1.2844 C 0 0 0 0 0 -5.9845 1.1891 -0.0317 C 0 0 0 0 0 -4.1742 1.4889 -1.5835 C 0 0 0 0 0 -5.3212 1.9607 -0.9591 C 0 0 0 0 0 -0.8439 -4.7692 0.6461 O 0 0 0 0 0 1.5426 -0.4769 2.3780 H 0 0 0 0 0 2.3178 0.1055 0.1066 H 0 0 0 0 0 3.3006 1.4323 0.7722 H 0 0 0 0 0 4.6043 -0.2018 2.1053 H 0 0 0 0 0 3.6225 -1.5288 1.4407 H 0 0 0 0 0 6.2017 0.9815 0.7114 H 0 0 0 0 0 3.8548 -2.2059 -0.8777 H 0 0 0 0 0 7.6761 0.8777 -1.2578 H 0 0 0 0 0 5.3292 -2.3097 -2.8469 H 0 0 0 0 0 7.2368 -0.7647 -3.0392 H 0 0 0 0 0 3.0410 0.7135 5.3459 H 0 0 0 0 0 0.2845 1.6674 2.8582 H 0 0 0 0 0 1.2833 2.4645 1.6186 H 0 0 0 0 0 -2.2072 1.3861 0.8409 H 0 0 0 0 0 -1.1972 2.7671 1.3583 H 0 0 0 0 0 1.4829 1.6664 -0.5101 H 0 0 0 0 0 1.0370 -0.0576 -0.7102 H 0 0 0 0 0 -2.2293 2.5147 -1.2006 H 0 0 0 0 0 -0.7098 3.3934 -0.8400 H 0 0 0 0 0 0.0430 1.7580 -2.4382 H 0 0 0 0 0 -1.0503 0.4941 -1.7847 H 0 0 0 0 0 -1.4647 -0.7529 -0.5553 H 0 0 0 0 0 -1.9927 -2.4936 1.7300 H 0 0 0 0 0 -2.7274 -2.6985 -1.2242 H 0 0 0 0 0 -3.2585 -3.8436 0.0306 H 0 0 0 0 0 -5.1732 -3.0400 1.6629 H 0 0 0 0 0 -6.7043 -1.0052 1.7234 H 0 0 0 0 0 -2.7884 -0.1105 -1.7729 H 0 0 0 0 0 -6.8769 1.5643 0.4468 H 0 0 0 0 0 -3.6661 2.1062 -2.3088 H 0 0 0 0 0 -5.6981 2.9430 -1.2057 H 0 0 0 0 0 -0.1134 -5.3731 0.4549 H 0 0 0 0 0 1 2 1 0 0 0 1 10 1 0 0 0 1 36 1 0 0 0 2 3 1 0 0 0 2 37 1 0 0 0 2 38 1 0 0 0 3 4 1 0 0 0 3 39 1 0 0 0 3 40 1 0 0 0 4 5 2 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 5 41 1 0 0 0 6 8 2 0 0 0 6 42 1 0 0 0 7 9 2 0 0 0 7 43 1 0 0 0 8 9 1 0 0 0 8 44 1 0 0 0 9 45 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 46 1 0 0 0 13 14 1 0 0 0 13 47 1 0 0 0 13 48 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 19 1 0 0 0 15 17 1 0 0 0 15 49 1 0 0 0 15 50 1 0 0 0 16 18 1 0 0 0 16 51 1 0 0 0 16 52 1 0 0 0 17 18 1 0 0 0 17 53 1 0 0 0 17 54 1 0 0 0 18 55 1 0 0 0 18 56 1 0 0 0 19 20 2 0 0 0 21 22 1 0 0 0 21 57 1 0 0 0 22 23 1 0 0 0 22 25 1 0 0 0 22 58 1 0 0 0 23 24 2 0 0 0 23 35 1 0 0 0 25 26 1 0 0 0 25 59 1 0 0 0 25 60 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 27 61 1 0 0 0 28 30 2 0 0 0 28 31 1 0 0 0 29 30 1 0 0 0 29 62 1 0 0 0 30 32 1 0 0 0 31 33 2 0 0 0 31 63 1 0 0 0 32 34 2 0 0 0 32 64 1 0 0 0 33 34 1 0 0 0 33 65 1 0 0 0 34 66 1 0 0 0 35 67 1 0 0 0 1 13 1 0 0 0 19 21 1 0 0 0 M END $$$$