HMDB0256554 RDKit 3D Pimonidazole 36 37 0 0 0 0 0 0 0 0999 V2000 -5.6698 1.2900 -0.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 1.0410 -0.0012 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7024 2.1312 0.2000 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0722 -0.3061 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -1.3748 -0.0164 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 -2.5083 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -2.1243 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.7675 0.5795 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.0490 0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 0.1118 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 0.7858 -1.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 0.7708 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5052 1.0280 -0.6609 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 1.6681 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 0.6191 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 -0.5493 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.2144 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 0.1668 -1.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -3.5388 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -2.7934 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 0.9640 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.5711 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -0.9499 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 0.2489 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 1.7237 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 0.1136 1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 2.1182 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 2.5229 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 1.0715 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 0.2633 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 -0.7331 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 -1.4682 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 0.5767 -2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -1.1348 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -0.7871 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 0.6545 -2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 8 4 1 0 18 13 1 0 6 19 1 0 7 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 M CHG 2 2 1 3 -1 M END