HMDB0013221 RDKit 3D Beta-Cortolone 60 63 0 0 0 0 0 0 0 0999 V2000 -2.7717 -2.2054 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.7513 -0.0001 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4447 -0.3407 1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 0.3179 1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 1.2090 0.6703 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5786 1.5900 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 0.4144 -0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 0.0127 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 1.2085 -1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 1.0718 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 0.5818 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -0.8420 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -1.6861 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -2.7638 0.7593 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -1.2756 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 -0.5390 -0.3515 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8100 -1.3361 -1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 0.7483 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 1.6204 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 1.5073 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 -0.0197 -0.2758 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0618 -0.4081 -1.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 -0.4280 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 0.2523 0.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9358 -0.1499 2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.2239 2.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -2.7534 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -2.6810 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -2.1111 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 -1.2504 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.3109 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4837 -0.4605 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 0.9464 2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 2.1047 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4873 2.3048 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -0.4560 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 1.0148 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 -0.6946 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 2.1484 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 1.4068 -2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 2.0901 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.3939 -2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 1.1874 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -1.3218 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -0.5118 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 -2.1371 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 -1.6861 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 -2.2933 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -0.8310 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 1.1493 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 1.2829 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 2.6704 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 2.0402 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 1.9097 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 -1.2016 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -1.4990 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -0.1644 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.7939 2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 -0.3830 2.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 1.2569 3.4834 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 8 2 1 0 18 11 1 0 12 2 1 0 21 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 6 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 26 60 1 0 M END