HMDB0015133 RDKit 3D Frovatriptan 35 37 0 0 0 0 0 0 0 0999 V2000 -3.3976 2.3111 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 1.4644 -1.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5027 0.3291 -0.9362 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9199 -0.5932 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 -1.9487 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -1.6772 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1558 -2.5128 0.4253 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -1.8389 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6317 -2.2107 0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 -1.2973 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 0.0036 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 0.9483 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 2.2584 -0.3108 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 0.5799 0.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 0.3602 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 -0.5487 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 -0.4252 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 0.7375 -0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9314 1.8608 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 3.2718 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 2.5540 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 1.1798 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 -0.2176 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 -0.2549 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0002 -0.6807 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -2.7493 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 -2.0939 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 -3.5226 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -3.2292 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -1.5994 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 2.6210 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 2.8977 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 1.3768 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 1.5564 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 1.0894 -1.6716 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 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 3 1 0 17 6 2 0 16 8 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 6 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 M END