HMDB0031202 RDKit 3D Solamine 44 43 0 0 0 0 0 0 0 0999 V2000 -5.9376 0.4619 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6832 -0.0913 0.4324 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8105 -1.5044 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 0.6086 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9121 0.0409 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 0.1760 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 -0.4358 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 -0.3126 0.5058 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8568 1.0237 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 1.4546 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 0.5464 -0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 0.5646 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9122 -0.3531 0.3267 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 -1.7269 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2197 -0.0067 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7653 -0.2998 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1719 1.3730 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8225 0.7314 1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 -1.7235 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 -1.9778 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7552 -2.0317 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9808 0.5410 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0676 1.6922 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 -0.9333 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 0.7791 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -0.3315 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 1.2288 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 0.0268 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 -1.5245 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -1.0294 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 1.7564 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 1.1379 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 1.5783 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 2.4597 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 0.9435 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -0.5125 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 0.3021 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.6182 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 -2.3265 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -2.0359 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 -2.0633 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3723 0.9929 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8555 -0.0599 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 -0.7578 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 12 13 1 0 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 M END