HMDB0255917 RDKit 3D Octylguanidine 33 32 0 0 0 0 0 0 0 0999 V2000 5.0237 0.0931 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -0.4857 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 -0.6024 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 0.7466 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 0.6158 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 0.0364 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 -0.0199 -1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 -0.5986 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 0.2201 0.3264 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 0.1963 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 1.0206 1.8527 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 -0.6580 0.1774 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9567 -0.5012 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 0.0796 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 1.1369 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 0.1286 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 -1.5020 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.3502 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -0.9595 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 1.1166 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 1.4181 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -0.0930 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 1.5769 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -1.0091 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 0.6001 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 -0.6606 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4897 1.0197 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -0.5357 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 -1.6564 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 0.5611 2.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5647 2.0497 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 -0.3504 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3646 -1.6336 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 M END