HMDB0015550 RDKit 3D Amyl Nitrite 19 18 0 0 0 0 0 0 0 0999 V2000 -2.8819 0.2995 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.8604 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 -0.3493 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 0.1440 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 -0.9244 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -1.0333 -0.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 0.0628 -0.2691 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 0.4596 0.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9161 -0.4082 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -0.3102 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 1.0780 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 1.5419 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2204 1.3311 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.8877 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -0.9546 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 0.3321 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 1.1140 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -1.8566 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -0.4992 1.6821 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 2 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 5 19 1 0 M END