HMDB0062657 RDKit 3D Epiandrosterone sulfate 55 58 0 0 0 0 0 0 0 0999 V2000 -3.6767 -0.2247 1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -0.2397 -0.2217 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8454 -1.4923 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -1.6555 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 -0.4472 -0.3813 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3065 0.7536 0.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4608 1.9877 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 1.6243 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5106 0.6154 0.3809 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8798 0.4196 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 -0.3266 -0.1157 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9412 -0.5326 0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0933 0.2723 -0.5435 S 0 0 0 0 0 6 0 0 0 0 0 0 5.5747 0.5115 -1.9228 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 1.6192 0.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 -0.5921 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -1.6409 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -1.4548 -0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.6656 0.1638 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6875 -1.5312 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 0.9151 -0.6542 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3780 2.0951 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 1.6559 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 0.1541 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5809 -0.4732 -1.4176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 0.7919 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -0.9305 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 -0.5183 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 -1.5265 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 -2.3521 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.9522 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -2.5065 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 -0.3035 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 0.5040 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 2.1735 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 2.8036 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 1.1746 2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 2.4888 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 1.0899 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 1.4486 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9146 -0.0682 1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 0.3003 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6835 -0.9635 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 -2.3098 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -2.1342 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -2.4435 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 -0.9725 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 -1.2178 2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 -2.5605 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -1.6788 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 0.7992 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 2.9164 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 2.5112 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1302 2.1221 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4533 1.9675 0.0712 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 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 1 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 6 6 34 1 1 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 6 10 40 1 0 10 41 1 0 11 42 1 6 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 6 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 M END