HMDB0036359 RDKit 3D Pandanamine 46 47 0 0 0 0 0 0 0 0999 V2000 6.0797 -2.2877 1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 -1.1530 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7649 -1.2244 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 0.1199 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 0.5065 -1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 1.8723 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 1.9022 -1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 1.4320 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 1.4776 -0.7297 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 1.0772 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -0.3725 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 -1.3144 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9488 -1.3399 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -0.8468 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3647 -0.8632 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0738 -0.2911 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5402 -0.0841 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 0.1425 1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 0.7270 2.8154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -0.2194 1.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 0.9950 0.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 0.2388 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 0.6616 2.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8562 -1.8587 2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 -2.8910 2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 -2.9445 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -2.1001 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 -0.2859 -2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5588 2.3076 -2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 2.5025 -0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 1.2562 -2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2844 2.9465 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 2.1698 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 0.4428 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 2.1517 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 1.3559 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8475 1.6450 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -0.6734 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -0.5386 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -1.2003 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 -2.3797 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 -1.8095 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 -1.2865 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7663 0.8121 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9443 0.1614 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0556 -0.9394 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 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 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 4 21 1 0 21 22 1 0 22 23 2 0 22 2 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 M END