HMDB0029876 RDKit 3D Paucine 36 36 0 0 0 0 0 0 0 0999 V2000 6.2278 -1.1615 0.3478 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 -0.3218 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 0.0839 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.9508 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 0.2808 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2221 1.1668 -1.1469 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 0.8740 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.2832 -0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 1.7815 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 1.6727 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0601 0.7093 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7212 0.0306 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5087 -0.9965 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 -1.3407 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4813 -2.3512 1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 -0.6630 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2857 -1.0394 -1.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 0.3291 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4029 -0.9063 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 -1.1254 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6446 0.5430 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 -0.9561 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 0.6887 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.7980 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 1.2029 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 1.8795 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 0.0727 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -0.6823 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.1983 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 2.6702 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 2.5217 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 0.2760 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 -1.5105 2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -2.6271 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 -0.5959 -1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 0.8230 -1.9108 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 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 18 11 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 M END