HMDB0255494 RDKit 3D N-(4-Methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine 59 60 0 0 0 0 0 0 0 0999 V2000 -5.6458 -0.2668 2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 0.4445 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 0.7983 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 -0.2560 -0.2524 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 -1.2362 -1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0255 -0.7825 -2.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 0.2239 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 -0.3793 0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 0.7570 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 0.7157 0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 1.3233 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 1.2478 2.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0864 0.5593 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 0.4593 2.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 1.0900 4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -0.0576 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -0.7512 0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -1.3796 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -2.0995 -1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 -1.1912 -1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 -0.5459 -2.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 0.3137 -2.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 0.5362 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 -0.1071 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -0.9515 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.0210 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9073 0.2944 2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 -1.3157 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5671 -0.3228 2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4519 1.4047 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 -0.1254 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 1.4602 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8283 1.4811 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 -2.0567 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 -1.8192 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -0.3910 -2.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2014 -1.6685 -3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6933 1.2555 -3.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5162 -0.0254 -4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 0.1630 -2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 -1.3760 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 -0.3681 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 0.7710 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1642 1.7130 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.8636 2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 1.7421 3.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.1247 4.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 1.1795 4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 0.5357 4.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9363 -2.1021 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5628 -0.6193 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 -2.9374 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -2.5499 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -0.7181 -3.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7345 0.8309 -3.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1854 1.2127 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 0.0859 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 -1.4576 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -0.4768 -0.6235 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 4 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 16 26 2 0 26 10 1 0 25 20 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 11 45 1 0 12 46 1 0 15 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 M END