HMDB0060979 RDKit 3D hydroxyrepaglinide 70 72 0 0 0 0 0 0 0 0999 V2000 5.2460 -3.8554 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 -2.8131 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 -1.6110 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -0.8458 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.1954 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -0.4163 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.7639 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 -0.2612 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -0.6928 2.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 0.4688 0.8907 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 1.0815 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 2.1200 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 3.4203 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 3.7159 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 4.6589 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 1.4261 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 2.6585 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 2.8442 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3163 1.8221 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 0.5793 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 0.3855 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 -0.9089 -0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 -1.8535 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 -2.9808 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -3.6015 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 -2.6460 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6558 -2.2351 -1.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -1.4476 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 0.7460 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.1257 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 0.3439 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 0.7101 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 -0.0618 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 1.9051 1.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -4.2463 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -3.4884 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -4.7451 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -3.2088 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -2.6711 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 -2.1001 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 -0.4266 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 -1.8966 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.6302 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 0.2164 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 1.5606 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4726 2.3317 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 3.5537 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 3.3825 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 3.5113 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 4.8475 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 4.3246 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 5.2467 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 5.3705 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 3.5002 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 3.8493 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3288 1.9592 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 -0.2995 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 -2.3318 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 -1.4388 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -2.5661 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 -3.7407 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -4.2555 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 -4.2701 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 -3.1896 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0585 -2.2356 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 -0.7040 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -1.8323 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 1.3709 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 2.0588 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 2.3716 2.2902 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 11 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 6 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 32 34 1 0 31 4 1 0 21 16 1 0 28 22 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 9 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 15 53 1 0 17 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 23 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 30 69 1 0 34 70 1 0 M END