HMDB0031481 RDKit 3D xi-3-Heptanol 24 23 0 0 0 0 0 0 0 0999 V2000 3.4892 0.3210 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1152 0.3743 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 -0.8628 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 -1.0237 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9525 0.0695 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 1.3256 0.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 -0.3543 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 0.6499 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 -0.5700 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 0.2501 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 1.2269 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 0.4124 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 1.3208 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -1.7281 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -0.9581 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -1.2064 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3987 -1.9675 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 0.0998 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 1.8558 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -0.5727 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 -1.3048 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3706 1.5403 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 0.1655 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 0.9366 -0.9687 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 5 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 M END