HMDB0002226 RDKit 3D Adrenic acid 60 59 0 0 0 0 0 0 0 0999 V2000 8.1368 -2.4675 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7115 -2.0995 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -0.6649 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 -0.5903 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4916 0.8359 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 0.8054 1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 1.1055 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 1.4983 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 2.8658 -0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 3.2374 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0306 2.3381 -1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 2.3957 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 1.3906 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 0.0503 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 -1.0800 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 -1.1281 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 0.0273 -1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -0.1449 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2824 -0.2801 0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6286 -0.4559 1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3514 -1.6747 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6731 -1.7917 1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4768 -2.7218 1.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0365 -0.8179 2.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0726 -3.0675 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2982 -3.0968 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3266 -1.5774 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 -2.7410 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 -2.1791 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -0.0001 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8317 -0.4014 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 -0.9170 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 -1.2736 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2592 1.5039 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 1.2400 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 0.5142 2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 1.0569 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 1.3179 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 0.7788 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 3.6629 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 4.3105 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 2.6700 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 1.3323 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 3.3754 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 1.5781 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 -0.1926 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 0.0111 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -2.1116 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -2.1477 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 1.0101 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.1424 -2.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 -1.0493 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0168 0.7021 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8201 0.6340 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 -1.1242 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4536 -0.5734 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2615 0.4741 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4593 -1.7259 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7516 -2.5583 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3977 0.0738 2.1103 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 24 60 1 0 M END