HMDB0041809 RDKit 3D 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 30 30 0 0 0 0 0 0 0 0999 V2000 3.5745 -0.7126 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 0.4925 0.3446 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 0.6784 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 0.7329 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 -0.5011 -0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -0.4429 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -1.6901 -1.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -0.2604 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 0.9330 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 1.1272 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 0.1203 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 -1.0409 1.2716 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -1.2396 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 1.5560 0.2722 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 1.4310 0.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -1.5408 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 -0.9200 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -0.6057 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 -0.1901 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 1.6111 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 0.9286 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 1.6552 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -0.5554 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -1.4225 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 0.3191 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 -2.3563 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 1.7623 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3957 2.0750 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1497 0.2641 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -2.2083 0.5193 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 13 30 1 0 M END