F1I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 53 0 0 0 0 0 0 0 0999 V2000 2.6843 3.5702 -0.7523 C 0 0 0 0 0 4.7692 -2.9800 1.2138 C 0 0 0 0 0 2.5921 2.1641 -0.9874 O 0 0 0 0 0 4.0143 -0.8450 0.4918 C 0 0 0 0 0 4.7960 -0.2917 1.4960 C 0 0 0 0 0 3.3164 1.3543 -0.1704 C 0 0 0 0 0 3.2735 -0.0214 -0.3423 C 0 0 0 0 0 0.2950 -1.6852 -1.8680 C 0 0 0 0 0 -1.0444 -2.0704 -1.2351 C 0 0 0 0 0 2.4244 -0.6190 -1.4342 C 0 0 0 0 0 0.3849 0.3590 -0.5699 C 0 0 0 0 0 -0.9510 0.0349 0.1011 C 0 0 0 0 0 -7.7287 0.0716 0.9712 C 0 0 0 0 0 -5.4025 -0.6830 0.4581 C 0 0 0 0 0 -6.4153 0.4499 0.2832 C 0 0 0 0 0 -4.1093 -0.3102 -0.2201 C 0 0 0 0 0 -1.8083 -0.7998 -0.8546 C 0 0 0 0 0 -4.0076 0.7570 -0.7874 O 0 0 0 0 0 -8.9296 1.4142 0.7637 S 0 0 0 0 0 -3.0652 -1.1624 -0.1953 N 0 0 0 0 0 1.0773 -0.8898 -0.9136 N 0 0 0 0 0 3.9778 -2.1931 0.3222 O 0 0 0 0 0 4.8367 1.0792 1.6647 C 0 0 0 0 0 4.0999 1.9024 0.8345 C 0 0 0 0 0 2.3431 3.7930 0.2586 H 0 0 0 0 0 3.7204 3.8914 -0.8659 H 0 0 0 0 0 2.0594 4.1004 -1.4713 H 0 0 0 0 0 4.4449 -2.8049 2.2402 H 0 0 0 0 0 4.6504 -4.0354 0.9709 H 0 0 0 0 0 5.8184 -2.7002 1.1130 H 0 0 0 0 0 5.3725 -0.9333 2.1457 H 0 0 0 0 0 0.8475 -2.5894 -2.1266 H 0 0 0 0 0 0.1153 -1.0992 -2.7687 H 0 0 0 0 0 -1.6316 -2.6482 -1.9500 H 0 0 0 0 0 -0.8664 -2.6690 -0.3421 H 0 0 0 0 0 2.3582 0.0801 -2.2671 H 0 0 0 0 0 2.8753 -1.5509 -1.7764 H 0 0 0 0 0 0.2057 0.9363 -1.4770 H 0 0 0 0 0 1.0040 0.9397 0.1137 H 0 0 0 0 0 -0.7710 -0.5308 1.0158 H 0 0 0 0 0 -1.4715 0.9613 0.3425 H 0 0 0 0 0 -8.1232 -0.8412 0.5238 H 0 0 0 0 0 -7.5479 -0.0935 2.0335 H 0 0 0 0 0 -5.2217 -0.8481 1.5204 H 0 0 0 0 0 -5.7970 -1.5959 0.0107 H 0 0 0 0 0 -6.5960 0.6150 -0.7792 H 0 0 0 0 0 -6.0208 1.3628 0.7295 H 0 0 0 0 0 -2.0214 -0.2192 -1.7532 H 0 0 0 0 0 -10.0155 0.9514 1.4073 H 0 0 0 0 0 -3.1465 -2.0153 0.2576 H 0 0 0 0 0 5.4453 1.5081 2.4468 H 0 0 0 0 0 4.1341 2.9736 0.9689 H 0 0 0 0 0 1 3 1 0 0 0 2 22 1 0 0 0 3 6 1 0 0 0 4 5 2 0 0 0 4 7 1 0 0 0 4 22 1 0 0 0 5 23 1 0 0 0 6 7 2 0 0 0 6 24 1 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 8 21 1 0 0 0 9 17 1 0 0 0 10 21 1 0 0 0 11 12 1 0 0 0 11 21 1 0 0 0 12 17 1 0 0 0 13 15 1 0 0 0 13 19 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 18 2 0 0 0 16 20 1 0 0 0 17 20 1 0 0 0 23 24 2 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 5 31 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 12 40 1 0 0 0 12 41 1 0 0 0 13 42 1 0 0 0 13 43 1 0 0 0 14 44 1 0 0 0 14 45 1 0 0 0 15 46 1 0 0 0 15 47 1 0 0 0 17 48 1 0 0 0 19 49 1 0 0 0 20 50 1 0 0 0 23 51 1 0 0 0 24 52 1 0 0 0 M END $$$$