HMDB0030339 RDKit 3D Pipernonaline 52 54 0 0 0 0 0 0 0 0999 V2000 -4.3271 1.2874 1.9772 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0022 0.6140 0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 0.8011 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 0.3699 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 0.5709 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 1.3329 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 0.9146 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.4276 1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 -0.4596 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7804 -0.6962 1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 -0.7356 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 -0.9936 1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -1.0509 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 -0.8474 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5368 -0.5864 -0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 -0.5365 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0022 -0.4255 -2.2691 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 -0.1167 -2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7646 -0.8361 -1.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0371 -0.0787 0.3156 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3918 0.0605 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4122 0.1904 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8198 0.6566 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6501 -0.1849 -1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0502 -0.9642 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 1.4563 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 -0.2376 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 1.1206 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.4294 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 1.4887 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 2.3882 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 1.6459 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 0.9956 2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 -0.6194 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 -1.2653 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -0.2817 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 -0.8642 2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 -1.1638 2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 -1.2547 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -0.3338 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9464 -0.4065 -3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5104 0.9689 -1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6424 -0.8542 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4417 0.9160 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9744 -0.7429 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1420 0.9675 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 0.5336 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5735 1.7402 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8614 0.5000 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9018 -0.8689 -2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -1.7866 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -1.4709 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 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 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 2 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 16 11 1 0 25 20 1 0 19 14 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 M END