HMDB0014644 RDKit 3D Cimetidine 33 33 0 0 0 0 0 0 0 0999 V2000 4.7989 1.8802 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 1.2626 0.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 0.0735 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 -0.6351 0.0663 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -1.9092 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -2.9580 1.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -0.6159 0.3036 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.2239 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 1.0657 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.5189 -1.4508 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 0.3444 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 0.2550 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 0.9206 0.8387 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8251 0.5279 1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -0.4116 1.1123 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 -0.5735 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 -1.5110 -1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 1.4622 1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 1.7528 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 2.9658 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -0.1986 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 -1.4684 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 -1.0323 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -0.1140 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 1.8761 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 1.0321 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 0.6678 -2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 -0.6351 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 0.8917 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4158 -0.9025 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 -0.9565 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2796 -2.3172 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -2.0349 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 3 0 3 7 1 0 7 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 1 0 16 17 1 0 16 12 2 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 15 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 M END