HMDB0004026 RDKit 3D 21-Hydroxypregnenolone 56 59 0 0 0 0 0 0 0 0999 V2000 -2.2315 1.4999 1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 0.1776 0.4812 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -0.4773 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -0.4263 0.3061 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1085 0.5978 -0.5820 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8587 0.8220 -1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 1.0863 -1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 0.6359 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 0.9707 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 -0.3373 -0.1864 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8479 -0.4451 0.9741 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 -1.5179 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 -1.5431 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -0.2096 0.5230 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4627 0.3534 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 0.1576 -0.7898 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1247 0.9122 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 0.2688 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 -0.3362 -0.0856 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5678 0.0488 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.6933 1.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -0.3395 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8127 -1.0666 -0.9438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 2.1602 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 2.1482 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 1.3537 2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -0.8479 2.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 -1.8435 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 -1.3448 2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 0.4014 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 -1.4282 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 1.5661 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 1.7278 -2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.0208 -2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 1.7141 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 1.5470 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 1.6027 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 -0.4090 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 -1.1717 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 -2.4271 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -1.6433 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -1.9207 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -2.3073 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 0.5471 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 1.3100 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 -0.4478 2.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2565 -0.9135 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 0.7478 -2.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 1.9773 -1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5933 -0.5752 -2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 0.9933 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -1.4631 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4722 0.5998 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 -0.9090 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6774 -1.4284 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 6 6 33 1 1 7 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 11 39 1 6 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 16 45 1 0 16 46 1 0 16 47 1 0 17 48 1 6 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 6 23 54 1 0 23 55 1 0 24 56 1 0 M END