CDV Converted by convert_cif2sdf.py 2024/03/29 11:09:15 23 22 0 0 0 0 0 0 0 0999 V2000 4.0135 -0.5595 0.4628 N 0 0 0 0 0 2.8724 0.0059 0.9028 C 0 0 0 0 0 2.9117 0.8682 1.7584 O 0 0 0 0 0 1.6868 -0.3852 0.3952 N 0 0 0 0 0 0.4464 0.2287 0.8728 C 0 0 0 0 0 -0.6961 -0.7835 0.7708 C 0 0 0 0 0 -1.9918 -0.1413 1.2712 C 0 0 0 0 0 -0.8686 -1.2136 -0.6855 C 0 0 0 0 0 0.1255 1.4344 0.0285 C 0 0 0 0 0 -0.4739 2.3670 0.5094 O 0 0 0 0 0 0.5051 1.4722 -1.2586 O 0 0 0 0 0 4.8665 -0.2780 0.8293 H 0 0 0 0 0 3.9821 -1.2484 -0.2195 H 0 0 0 0 0 1.6553 -1.0742 -0.2872 H 0 0 0 0 0 0.5698 0.5345 1.9113 H 0 0 0 0 0 -0.4637 -1.6556 1.3826 H 0 0 0 0 0 -2.8057 -0.8628 1.1986 H 0 0 0 0 0 -1.8684 0.1644 2.3098 H 0 0 0 0 0 -2.2244 0.7298 0.6595 H 0 0 0 0 0 -1.1011 -0.3414 -1.2963 H 0 0 0 0 0 0.0546 -1.6702 -1.0416 H 0 0 0 0 0 -1.6824 -1.9350 -0.7581 H 0 0 0 0 0 0.2986 2.2467 -1.8003 H 0 0 0 0 0 1 2 1 0 0 0 1 12 1 0 0 0 1 13 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 14 1 0 0 0 5 6 1 0 0 0 5 9 1 0 0 0 5 15 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 16 1 0 0 0 7 17 1 0 0 0 7 18 1 0 0 0 7 19 1 0 0 0 8 20 1 0 0 0 8 21 1 0 0 0 8 22 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 23 1 0 0 0 M END $$$$