HMDB0001930 RDKit 3D Ranitidine 43 43 0 0 0 0 0 0 0 0999 V2000 6.1069 1.3083 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 0.9256 0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 -0.3613 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 -0.7231 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 0.1918 -1.7152 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7746 1.1799 -2.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5732 0.0091 -1.6066 O 0 0 0 0 0 1 0 0 0 0 0 0 3.7029 -1.3063 0.4667 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 -1.7645 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -0.6874 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -0.1422 1.1203 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 1.1268 0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 0.5310 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 0.5386 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0496 -0.1089 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4852 -0.4794 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 -1.1907 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9118 -0.3898 0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9277 0.6790 1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5272 -0.1321 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.0703 0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 1.9857 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6866 0.4060 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 1.8430 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 1.5918 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 -1.7137 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.6435 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 -2.5826 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 -2.2059 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -1.0932 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 0.1409 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 2.0272 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 1.4142 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 0.9546 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -0.2845 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6811 -1.7280 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -2.0150 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1565 1.4444 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9162 1.1897 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 0.2203 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 0.9153 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1003 -0.8044 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -0.4469 -0.7048 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 5 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 16 21 1 0 21 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 M CHG 2 5 1 7 -1 M END