HMDB0304704 RDKit 3D lupinine 42 45 0 0 0 0 0 0 0 0999 V2000 3.2906 2.6740 -0.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 1.4552 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2643 0.5113 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -0.7626 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 -1.1544 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 -0.5817 0.3326 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4619 -1.1521 0.5118 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2706 -0.2341 1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5685 1.0419 0.7109 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6726 1.6958 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.8680 0.1823 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 0.7563 -0.4094 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8626 1.4069 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9168 0.4931 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -0.6681 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 -1.3921 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5936 -0.6012 -0.7087 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -1.2276 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 0.2829 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 1.0347 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 -1.5913 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.6598 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 -2.2563 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -0.6523 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 -0.7864 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 -2.1274 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -0.6683 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.0389 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 1.7419 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 2.0251 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 2.6559 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 1.3106 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6615 2.2556 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 1.9194 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 0.1080 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8683 1.0432 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1664 -0.1893 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8589 -1.2841 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 -2.2134 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -1.9607 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -0.8376 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.3178 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 11 2 1 0 17 12 1 0 11 6 1 0 18 7 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 1 7 26 1 1 8 27 1 0 8 28 1 0 9 29 1 1 10 30 1 0 10 31 1 0 12 32 1 6 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 M END