HMDB0253162 RDKit 3D Hexoprenaline 62 63 0 0 0 0 0 0 0 0999 V2000 6.4880 -3.0531 2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1246 -1.8341 1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 -1.0961 1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 0.1083 1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 0.5953 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 1.8904 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3195 2.5689 -0.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 1.5403 -1.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4547 0.8306 -1.9714 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 1.2621 -1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 1.5139 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2342 1.9371 -0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 0.9131 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -0.3930 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -0.2165 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 0.3243 1.5666 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 -0.1845 1.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1756 -0.3298 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -1.1846 -0.7249 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6073 -0.7330 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -0.9538 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5107 -1.3070 1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2689 -1.4430 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 -1.7995 0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6335 -1.2071 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3683 -1.3341 -1.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3058 -0.8506 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5053 -0.1420 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 -1.3386 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9192 -2.0868 -0.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9584 -3.4070 2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 -1.4183 2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 0.7148 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 2.5367 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 3.4707 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4586 1.0235 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 2.5281 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.1735 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 0.5150 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 2.1815 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 2.3490 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 0.6550 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 2.1230 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 2.8798 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 1.2443 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.6884 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 -1.1647 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 -0.6974 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 0.3517 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -1.2347 1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 1.3402 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -1.2144 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 0.4451 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 0.7239 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -0.8462 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 -0.8691 2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9959 -1.4902 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1063 -1.8821 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9732 -1.1770 -2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8644 -0.6801 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 0.2131 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4437 -1.7260 -0.8018 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 6 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 1 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 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 5 28 1 0 28 29 2 0 29 30 1 0 29 2 1 0 27 20 1 0 1 31 1 0 3 32 1 0 4 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 21 56 1 0 22 57 1 0 24 58 1 0 26 59 1 0 27 60 1 0 28 61 1 0 30 62 1 0 M END