beta-Nicotinamide mononucleotide http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=cad7d442-f645-443c-b568-94ab42263d47 41 42 0 1 0 0 0 0 0999 V2000 3.2044 -3.2767 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0655 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -2.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -4.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 -2.6889 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0134 -3.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2764 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 0.7757 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1424 3.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -1.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6835 -0.8121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3745 -1.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8745 -0.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9623 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6346 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 2.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 2.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1219 -1.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4269 0.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 -2.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 -3.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4639 -2.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 -1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2242 -0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 0.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 -3.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -2.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 0.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2774 0.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2774 2.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 3.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 4.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 4.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 4 39 1 0 0 0 0 7 22 2 0 0 0 0 13 8 1 1 0 0 0 8 17 1 0 0 0 0 8 18 2 0 0 0 0 9 22 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 6 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 24 1 0 0 0 0 12 16 1 1 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 2 5 -1 8 1 M END