9CJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 48 0 0 0 0 0 0 0 0999 V2000 -0.3957 -1.0692 -0.2249 O 0 0 0 0 0 -0.6666 -1.9942 0.5123 C 0 0 0 0 0 -2.0995 -2.2598 0.8935 C 0 0 0 0 0 -2.9925 -1.2419 0.2318 C 0 0 0 0 0 -3.5207 -1.4954 -1.0203 C 0 0 0 0 0 -4.3405 -0.5634 -1.6294 C 0 0 0 0 0 -4.6333 0.6242 -0.9882 C 0 0 0 0 0 -3.2870 -0.0581 0.8797 C 0 0 0 0 0 -4.1044 0.8814 0.2682 C 0 0 0 0 0 -4.3916 2.0490 0.9015 O 0 0 0 0 0 -5.2450 2.9668 0.2144 C 0 0 0 0 0 0.3156 -2.7882 0.9852 N 0 0 0 0 0 1.6356 -2.6015 0.5549 C 0 0 0 0 0 2.1037 -1.3235 0.2918 C 0 0 0 0 0 3.4169 -1.1398 -0.1346 C 0 0 0 0 0 4.2551 -2.2469 -0.2960 C 0 0 0 0 0 5.5373 -2.0749 -0.7119 O 0 0 0 0 0 3.7766 -3.5200 -0.0303 C 0 0 0 0 0 2.4758 -3.6968 0.3975 C 0 0 0 0 0 3.9225 0.2239 -0.4180 C 0 0 0 0 0 4.5578 0.4652 -1.5570 N 0 0 0 0 0 5.0258 1.6606 -1.8543 C 0 0 0 0 0 4.8735 2.7223 -0.9845 C 0 0 0 0 0 4.2095 2.5190 0.2316 C 0 0 0 0 0 3.7224 1.2417 0.5131 C 0 0 0 0 0 4.0265 3.6313 1.1927 C 0 0 0 0 0 3.4486 3.4371 2.2425 O 0 0 0 0 0 4.4999 4.8579 0.9010 O 0 0 0 0 0 -2.3834 -3.2600 0.5653 H 0 0 0 0 0 -2.2065 -2.1884 1.9756 H 0 0 0 0 0 0.1075 -3.4883 1.6225 H 0 0 0 0 0 -3.2924 -2.4237 -1.5234 H 0 0 0 0 0 -2.8768 0.1387 1.8598 H 0 0 0 0 0 -4.7503 -0.7643 -2.6079 H 0 0 0 0 0 -5.2735 1.3524 -1.4645 H 0 0 0 0 0 -5.3924 3.8550 0.8282 H 0 0 0 0 0 -4.7846 3.2526 -0.7321 H 0 0 0 0 0 -6.2071 2.4934 0.0216 H 0 0 0 0 0 1.4511 -0.4722 0.4178 H 0 0 0 0 0 2.1088 -4.6902 0.6074 H 0 0 0 0 0 4.4245 -4.3759 -0.1546 H 0 0 0 0 0 3.2009 1.0442 1.4382 H 0 0 0 0 0 5.5372 1.8121 -2.7933 H 0 0 0 0 0 5.2618 3.6973 -1.2384 H 0 0 0 0 0 4.3558 5.5511 1.5590 H 0 0 0 0 0 6.1702 -1.9487 0.0084 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 12 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 8 2 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 9 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 19 2 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 15 20 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 18 19 1 0 0 0 20 21 2 0 0 0 20 25 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 17 46 1 0 0 0 3 29 1 0 0 0 3 30 1 0 0 0 12 31 1 0 0 0 5 32 1 0 0 0 8 33 1 0 0 0 6 34 1 0 0 0 7 35 1 0 0 0 11 36 1 0 0 0 11 37 1 0 0 0 11 38 1 0 0 0 14 39 1 0 0 0 19 40 1 0 0 0 18 41 1 0 0 0 25 42 1 0 0 0 22 43 1 0 0 0 23 44 1 0 0 0 28 45 1 0 0 0 M END $$$$