HMDB0015087 RDKit 3D Naratriptan 48 50 0 0 0 0 0 0 0 0999 V2000 4.4799 -1.0804 1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.3719 0.3018 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 -1.2118 -1.1046 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3308 -2.4646 -0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -0.4178 -1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2368 -1.6712 -2.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 -0.5496 -2.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 0.4263 -1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 1.5263 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 2.4596 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 2.2944 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 3.0821 0.8964 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 2.5232 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 1.3128 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 0.5452 0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 0.8519 1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 -0.1808 2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 -0.5919 0.9576 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -0.8574 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 -1.3965 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 -0.8586 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 1.2009 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 0.2587 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 -0.4305 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -2.0910 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -1.0344 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 -0.4935 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 -2.3761 -2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -2.3454 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -1.0413 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -0.0475 -3.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 1.6423 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 3.3234 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 3.9785 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 2.9019 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 1.0668 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.8157 2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 1.8481 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 -1.1196 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 0.1508 2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 -1.2026 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 0.1027 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 -1.5230 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0282 -1.4108 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6265 -2.4412 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -1.5710 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -0.9222 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 -0.6091 -1.3908 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 3 5 2 0 3 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 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 14 22 1 0 22 23 2 0 23 8 1 0 22 11 1 0 21 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 23 48 1 0 M END