HMDB0001032 RDKit 3D Dehydroepiandrosterone sulfate 53 56 0 0 0 0 0 0 0 0999 V2000 -3.5475 -0.4532 -1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3419 0.5452 -0.6798 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5573 1.7536 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0913 1.4550 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 0.6524 -0.1252 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3561 -0.5598 0.2015 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -1.3071 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -1.7385 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -0.9883 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -1.4544 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 -0.4351 0.2590 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6290 0.0046 -0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.4515 -0.1262 S 0 0 0 0 0 6 0 0 0 0 0 0 6.0877 -1.6994 0.7291 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0591 -0.7949 -1.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 0.7986 0.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 0.7122 0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 1.3450 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9177 0.3267 -0.4126 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2052 0.3632 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 -0.0302 0.5520 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7110 -0.9905 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0269 -0.2602 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6835 0.8942 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 1.8394 -0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -1.2757 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 0.0429 -2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 -0.8153 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 2.6114 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 2.0389 -2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 0.9252 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 2.4160 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.3035 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -1.2015 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -2.2237 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -0.6651 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 -2.6982 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -1.6249 -1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 -2.4681 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 -0.9659 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2035 1.0614 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 0.4346 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 1.4998 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2754 1.9325 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 2.0586 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2925 0.1829 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.4107 -2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 -0.3963 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 0.7869 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -1.1153 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -1.9760 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 0.1201 1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -0.9264 0.2952 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 1 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 2 0 13 15 2 0 13 16 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 6 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 21 2 1 0 24 2 1 0 19 5 1 0 19 9 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 1 6 34 1 6 7 35 1 0 7 36 1 0 8 37 1 0 10 38 1 0 10 39 1 0 11 40 1 1 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 1 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 M END