HMDB0255094 RDKit 3D N-Butyl-N-(4-hydroxybutyl)nitrosamine 30 29 0 0 0 0 0 0 0 0999 V2000 -4.4102 0.2638 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 0.8430 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 0.2102 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 0.2114 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -0.3610 -0.0298 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -0.3605 -1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -0.7343 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 0.2613 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -0.0379 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 -1.2508 0.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 -0.8802 1.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 -0.9124 2.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 0.1950 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2597 0.9733 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 -0.7207 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 1.9479 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 0.7544 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 0.7978 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -0.8242 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 1.2749 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -0.3458 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 0.7097 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 -0.9438 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -1.7633 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 -0.7039 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 1.2968 -0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 0.3247 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 0.7731 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9899 0.1020 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 -1.1006 1.9236 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 1 0 5 11 1 0 11 12 2 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 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 M END