HMDB0255646 RDKit 3D Nitroethane 10 9 0 0 0 0 0 0 0 0999 V2000 1.0721 -0.3892 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0341 0.6458 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -0.0802 0.1084 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3660 -1.3240 0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 0.6254 0.1620 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8365 -1.1039 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 0.0504 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -0.9851 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.3227 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 1.2380 0.9745 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 3 5 1 0 1 6 1 0 1 7 1 0 1 8 1 0 2 9 1 0 2 10 1 0 M CHG 2 3 1 5 -1 M END