HMDB0005886 RDKit 3D 19-Noretiocholanolone 48 51 0 0 0 0 0 0 0 0999 V2000 -3.0215 -1.2204 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 -0.2512 -0.2300 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2539 -0.9262 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.4231 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -0.3600 -0.5194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3338 -0.9797 -0.1321 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1771 -1.1097 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -1.2268 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -0.2734 -0.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1951 1.0384 -0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.4549 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9574 -0.1587 0.9477 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7302 1.3083 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.6125 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.4043 0.6437 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9077 0.8951 0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7377 1.7121 1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 1.8013 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 0.5031 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 0.1127 -1.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -2.2359 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1148 -1.3359 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.9288 1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -1.8192 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -0.1959 -2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -1.7919 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 -2.3261 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2132 0.3713 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 -1.9883 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -0.2580 -2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -2.0228 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 -0.9915 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 -2.2610 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2245 -0.5723 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 1.2894 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 -1.4803 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 0.3078 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 -0.3886 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.9598 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9037 1.4913 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 1.9086 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 2.4672 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -0.1887 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 1.4595 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 2.7118 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 1.2203 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 2.0098 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 2.5848 -0.5549 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 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 16 2 1 0 19 2 1 0 15 5 1 0 12 6 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 6 6 29 1 1 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 1 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 1 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 1 16 44 1 6 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 M END