HMDB0038437 RDKit 3D 9-(Methylthio)nonanenitrile 31 30 0 0 0 0 0 0 0 0999 V2000 -4.9877 -0.7189 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 0.2786 -0.8447 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 0.9300 0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 1.7563 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 0.9443 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -0.2009 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.9809 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 -0.1936 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -1.1588 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 -0.4935 -0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.6068 -1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 1.4918 -2.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4226 -0.9092 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6504 -0.1559 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 -1.6626 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 1.6139 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 0.1344 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 2.2604 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 2.5514 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9783 0.5098 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 1.6091 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -0.8780 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 0.1060 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -1.4609 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -1.8436 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 0.1640 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 0.6794 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 -1.5713 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 -1.9393 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -1.2620 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -0.2067 0.3625 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 10 11 1 0 11 12 3 0 1 13 1 0 1 14 1 0 1 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 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 M END