HMDB0038516 RDKit 3D Linatine 35 35 0 0 0 0 0 0 0 0999 V2000 2.8880 -1.0886 -0.9084 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 0.1089 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 1.3952 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 1.6562 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 0.7812 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.0639 -1.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 0.8466 0.6992 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 0.0789 0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 -0.9570 1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0968 -1.7463 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 -1.2986 -0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 0.1450 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 0.9547 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9557 1.5059 0.7757 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 1.1105 -1.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -0.0105 0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 0.9681 1.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -1.2334 1.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 -1.8949 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.3576 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 0.1375 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 1.5888 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 2.2090 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9422 1.7816 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 2.7041 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 1.5740 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 -1.6776 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -0.5606 2.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 -1.5135 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.8470 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9809 -1.2947 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 -1.8875 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 0.4504 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6556 1.3140 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 -1.8785 1.2603 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 2 0 5 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 2 0 13 15 1 0 2 16 1 0 16 17 2 0 16 18 1 0 12 8 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 15 34 1 0 18 35 1 0 M END