HMDB0039035 RDKit 3D Necatorine 28 31 0 0 0 0 0 0 0 0999 V2000 5.8328 0.0066 0.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 0.2500 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 1.5390 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 1.7314 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 0.6336 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4421 -0.6217 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -1.7234 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -1.5780 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -2.7161 0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 -0.3284 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -0.1422 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5544 -1.2032 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -0.9169 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 0.3696 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 1.4303 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 1.1712 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 2.2022 -0.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 2.0393 -0.1045 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 0.8078 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 -0.7595 0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 2.3998 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 2.7336 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -2.7221 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 -3.6498 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -2.2234 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -1.7645 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4648 0.5732 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 2.4615 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 2 1 0 19 5 1 0 19 10 1 0 16 11 1 0 3 21 1 0 4 22 1 0 7 23 1 0 9 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 M END