HMDB0013811 RDKit 3D 1-Nitroheptane 26 25 0 0 0 0 0 0 0 0999 V2000 -3.4851 0.1384 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 0.0504 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 0.1813 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 -0.8481 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -0.7150 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 0.6058 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 0.7541 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.2162 0.9362 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8769 -0.9662 1.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -0.2882 0.7752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 0.9852 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 0.3702 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3987 -0.8157 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4781 0.9066 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 -0.8688 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 1.2033 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 0.0734 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 -0.7430 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.8867 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.7987 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -1.5429 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 0.6526 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 1.4661 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0088 0.6140 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 1.7973 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1814 -0.1093 -0.1467 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 2 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 M CHG 1 8 1 M END