HMDB0000194 RDKit 3D Anserine 33 33 0 0 0 0 0 0 0 0999 V2000 -4.0174 0.1847 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8596 0.9779 -0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 2.2739 -1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 2.6732 -0.6568 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9451 1.6258 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 0.5680 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 -0.8012 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 -1.1138 1.0234 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8234 -0.9534 0.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 -0.3110 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 0.1299 1.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 -0.1546 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 0.5722 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6497 1.8663 0.9378 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 -2.5614 1.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 -3.3869 1.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -2.9287 2.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 -0.8912 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 0.5576 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 0.3523 -0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4304 2.8976 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 1.6951 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 -1.0993 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -1.4820 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 -0.5106 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -1.3248 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 0.3895 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -1.1959 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 -0.0345 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 0.7147 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 2.3165 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 2.4509 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -3.4970 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 8 15 1 0 15 16 2 0 15 17 1 0 6 2 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 7 23 1 0 7 24 1 0 8 25 1 1 9 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 17 33 1 0 M END