HMDB0010322 RDKit 3D 17-alpha-Estradiol-3-glucuronide 64 68 0 0 0 0 0 0 0 0999 V2000 -5.9802 0.1583 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0432 0.4231 -0.0967 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1308 1.5387 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 1.4325 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 0.0984 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 -0.1326 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 0.4534 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 0.2477 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 -0.5592 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 -0.7995 -0.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 -0.2944 -0.3940 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1694 0.3745 -1.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 1.2138 -0.5846 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9108 1.8944 -1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 1.6319 -2.7242 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8574 2.8143 -1.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 0.5843 0.5149 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8452 1.5019 1.5646 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 -0.6958 1.0365 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2897 -1.6135 1.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -1.3854 0.1820 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5083 -2.2922 0.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 -1.1560 -1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 -0.9394 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -1.6454 -1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 -1.2177 -1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -1.0622 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4595 -0.8501 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 -0.9346 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1816 0.4261 2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 0.7639 1.0548 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0542 -0.1607 0.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5448 -0.5837 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 1.1296 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 -0.1508 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 2.4658 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 1.7861 -1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 2.1650 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 1.7380 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2493 0.0572 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 1.0897 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 0.7625 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 0.3580 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 2.0270 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 3.6918 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8174 0.4173 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7837 1.0531 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 -0.5640 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -1.6665 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7617 -1.9168 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -1.7728 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -1.8042 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -1.4930 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3599 -2.7242 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -2.0133 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 -0.2459 -1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 -1.9649 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -1.7014 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6759 -1.1623 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3552 -1.6983 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4039 1.1861 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8661 0.3394 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3441 1.7972 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4242 -0.4202 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 28 2 1 0 31 2 1 0 27 5 1 0 24 6 1 0 21 11 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 7 41 1 0 8 42 1 0 11 43 1 1 13 44 1 1 16 45 1 0 17 46 1 6 18 47 1 0 19 48 1 1 20 49 1 0 21 50 1 6 22 51 1 0 23 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 30 61 1 0 30 62 1 0 31 63 1 1 32 64 1 0 M END