J4S Converted by convert_cif2sdf.py 2024/05/03 11:07:26 44 46 0 0 0 0 0 0 0 0999 V2000 0.8885 -0.0607 -0.3434 N 0 0 0 0 0 0.0072 1.0188 0.1080 C 0 0 0 0 0 0.1564 2.2051 -0.8083 C 0 0 0 0 0 0.9237 2.1545 -1.7472 O 0 0 0 0 0 -3.5940 0.4666 1.0914 C 0 0 0 0 0 -2.2837 0.8994 1.1073 C 0 0 0 0 0 -1.4223 0.5429 0.0850 C 0 0 0 0 0 -1.8689 -0.2486 -0.9580 C 0 0 0 0 0 -3.1776 -0.6871 -0.9845 C 0 0 0 0 0 -4.0471 -0.3361 0.0463 C 0 0 0 0 0 -5.4554 -0.8049 0.0237 C 0 0 0 0 0 -5.9077 -1.6065 -1.0215 C 0 0 0 0 0 -7.2198 -2.0407 -1.0393 C 0 0 0 0 0 -8.0849 -1.6798 -0.0183 C 0 0 0 0 0 -7.6382 -0.8822 1.0242 C 0 0 0 0 0 -6.3259 -0.4482 1.0510 C 0 0 0 0 0 2.1772 -0.0884 0.0503 C 0 0 0 0 0 3.0816 -1.2028 -0.4092 C 0 0 0 0 0 4.4804 -0.9985 0.1762 C 0 0 0 0 0 5.5801 -1.9657 -0.2663 C 0 0 0 0 0 5.0021 -2.0600 1.1473 C 0 0 0 0 0 -8.4848 -0.5331 2.0180 F 0 0 0 0 0 -9.3668 -2.1068 -0.0388 F 0 0 0 0 0 -7.6589 -2.8185 -2.0534 F 0 0 0 0 0 -0.5621 3.3241 -0.5855 N 0 0 0 0 0 2.6077 0.7830 0.7754 O 0 0 0 0 0 -0.4221 4.4387 -1.4473 O 0 0 0 0 0 0.5433 -0.7583 -0.9230 H 0 0 0 0 0 0.2777 1.3080 1.1233 H 0 0 0 0 0 -4.2659 0.7461 1.8890 H 0 0 0 0 0 -1.9301 1.5187 1.9185 H 0 0 0 0 0 -1.1927 -0.5233 -1.7541 H 0 0 0 0 0 -3.5245 -1.3047 -1.7988 H 0 0 0 0 0 -5.2346 -1.8877 -1.8179 H 0 0 0 0 0 -5.9784 0.1724 1.8641 H 0 0 0 0 0 2.6819 -2.1593 -0.0701 H 0 0 0 0 0 3.1397 -1.1983 -1.4977 H 0 0 0 0 0 4.7654 0.0370 0.3626 H 0 0 0 0 0 5.3068 -2.7481 -0.9753 H 0 0 0 0 0 6.5893 -1.5665 -0.3722 H 0 0 0 0 0 5.6297 -1.7224 1.9720 H 0 0 0 0 0 4.3482 -2.9040 1.3689 H 0 0 0 0 0 -1.1752 3.3646 0.1643 H 0 0 0 0 0 -0.9771 5.1933 -1.2077 H 0 0 0 0 0 23 14 1 0 0 0 24 13 1 0 0 0 14 13 2 0 0 0 14 15 1 0 0 0 22 15 1 0 0 0 13 12 1 0 0 0 15 16 2 0 0 0 12 11 2 0 0 0 16 11 1 0 0 0 11 10 1 0 0 0 10 5 2 0 0 0 10 9 1 0 0 0 5 6 1 0 0 0 9 8 2 0 0 0 6 7 2 0 0 0 8 7 1 0 0 0 20 21 1 0 0 0 20 19 1 0 0 0 7 2 1 0 0 0 21 19 1 0 0 0 19 18 1 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 26 17 2 0 0 0 17 18 1 0 0 0 17 1 1 0 0 0 3 4 2 0 0 0 3 25 1 0 0 0 25 27 1 0 0 0 1 28 1 0 0 0 2 29 1 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 12 34 1 0 0 0 16 35 1 0 0 0 18 36 1 0 0 0 18 37 1 0 0 0 19 38 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 21 41 1 0 0 0 21 42 1 0 0 0 25 43 1 0 0 0 27 44 1 0 0 0 M END $$$$