HMDB0034593 RDKit 3D (S)-Codamine 50 52 0 0 0 0 0 0 0 0999 V2000 6.9670 0.4277 0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9462 1.3325 0.4603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 0.9720 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -0.3550 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 -0.6976 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 0.2571 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 1.5882 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.9508 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 3.2520 -0.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 -0.1376 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 0.9699 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 0.6772 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2801 0.0999 -1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 -0.1640 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4842 0.1410 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -0.1075 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3486 -0.7021 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 0.7190 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8641 1.0253 1.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3181 1.6173 2.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 0.9798 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 -1.3800 -0.5338 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 -2.1352 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 -2.2750 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -2.0825 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 1.0108 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -0.2194 1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2733 -0.2027 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -1.1164 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 2.3554 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 3.5385 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -0.2759 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 1.3317 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1971 1.8258 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 -0.1529 -2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 -0.6216 -2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8118 -1.6335 -2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4264 -0.8695 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1391 0.0251 -2.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 0.9415 2.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 2.6111 2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0691 1.6555 3.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 1.4294 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -1.6251 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 -2.5406 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -3.0412 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 -2.0419 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -3.3436 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 -2.8317 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 -2.1821 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 10 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 8 3 1 0 21 12 1 0 25 5 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 23 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 25 50 1 0 M END