F3E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 23 0 0 0 0 0 0 0 0999 V2000 -3.8071 -0.4561 0.0017 C 0 0 0 0 0 2.5480 -0.5288 0.0022 C 0 0 0 0 0 2.2493 1.7572 0.0076 C 0 0 0 0 0 0.8784 1.5714 0.0054 C 0 0 0 0 0 0.3829 0.2647 0.0075 C 0 0 0 0 0 -1.0781 0.0131 0.0052 C 0 0 0 0 0 -1.5636 -1.2932 0.0074 C 0 0 0 0 0 -2.9243 -1.5217 0.0051 C 0 0 0 0 0 -3.3314 0.8430 -0.0055 C 0 0 0 0 0 -1.9721 1.0825 -0.0032 C 0 0 0 0 0 3.4162 -1.6069 -0.0054 N 0 0 0 0 0 3.0459 0.6999 0.0050 N 0 0 0 0 0 1.2432 -0.7506 -0.0001 N 0 0 0 0 0 -4.8710 -0.6395 0.0005 H 0 0 0 0 0 2.6652 2.7533 0.0063 H 0 0 0 0 0 0.2063 2.4173 0.0028 H 0 0 0 0 0 -0.8750 -2.1257 0.0099 H 0 0 0 0 0 -3.3017 -2.5337 0.0074 H 0 0 0 0 0 -4.0249 1.6703 -0.0120 H 0 0 0 0 0 -1.6018 2.0972 -0.0055 H 0 0 0 0 0 3.0656 -2.5120 -0.0130 H 0 0 0 0 0 4.3742 -1.4587 -0.0042 H 0 0 0 0 0 12 3 2 0 0 0 12 2 1 0 0 0 3 4 1 0 0 0 11 2 1 0 0 0 2 13 2 0 0 0 4 5 2 0 0 0 13 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 10 9 2 0 0 0 8 1 2 0 0 0 9 1 1 0 0 0 1 14 1 0 0 0 3 15 1 0 0 0 4 16 1 0 0 0 7 17 1 0 0 0 8 18 1 0 0 0 9 19 1 0 0 0 10 20 1 0 0 0 11 21 1 0 0 0 11 22 1 0 0 0 M END $$$$