HMDB0000416 RDKit 3D 17-Hydroxypregnenolone sulfate 60 63 0 0 0 0 0 0 0 0999 V2000 -6.0315 -1.3045 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 -0.1870 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 0.6268 0.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 -0.0645 -1.0852 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6533 -1.1122 -2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8035 1.2877 -1.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 1.9870 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 0.8389 -0.9508 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4522 1.1381 -0.1613 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4766 1.9972 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 1.9763 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 1.0755 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 1.1653 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 -0.2064 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7323 -0.2223 0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5231 -0.5331 -0.8308 S 0 0 0 0 0 6 0 0 0 0 0 0 7.4760 0.5411 -1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -0.7849 -1.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -1.9436 -0.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.2046 1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -1.3548 0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -0.0266 0.9070 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1830 0.2574 2.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -0.1997 0.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6533 -1.2146 0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 -1.3705 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -0.0507 -0.1646 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9561 0.5408 1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -2.1197 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8433 -1.6847 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1031 -0.9758 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -1.9465 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 1.8781 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 1.0970 -2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 2.5499 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7363 2.6811 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 0.2835 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 1.6591 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 3.0419 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4182 1.6708 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 2.7783 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 1.3527 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 1.9540 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 -0.4132 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7593 -2.0401 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -2.1924 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6222 -0.9037 2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -1.8213 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 -2.0270 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.7272 2.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 0.9486 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 -0.7083 2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -0.5710 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 -1.0788 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 -2.2066 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -2.0705 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 -1.7903 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 1.5545 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 0.5202 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -0.1683 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 6 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 14 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 27 4 1 0 27 8 1 0 24 9 1 0 22 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 6 9 38 1 1 10 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 6 25 54 1 0 25 55 1 0 26 56 1 0 26 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 M END