HMDB0061150 RDKit 3D Hydroxyl frovatriptan 38 40 0 0 0 0 0 0 0 0999 V2000 -3.0450 -1.1461 -1.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -0.7754 -0.5441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 0.6248 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 0.8887 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 -0.0084 2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 0.3262 1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 -0.4161 2.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -0.2908 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 -0.3376 1.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -0.5613 2.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5668 -0.1739 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 0.0453 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 0.2236 -2.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 0.1643 -2.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 0.4227 -3.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.0913 -1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.0733 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -0.0916 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 0.9003 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7133 -2.0107 -2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 -1.4661 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -0.2747 -2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 -0.9348 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 1.2333 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1427 0.7699 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 1.9363 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4156 -1.0429 1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 0.2720 3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 1.4134 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -0.9228 3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 -0.6812 3.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6468 -0.2191 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 0.4840 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -0.2203 -2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 0.2617 -2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -1.1078 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 1.9225 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3597 0.7746 -1.7627 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 3 1 0 18 6 1 0 17 8 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 14 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 M END