HMDB0061396 RDKit 3D PC(DiMe(11,3)/MonoMe(11,5)) 148149 0 0 0 0 0 0 0 0999 V2000 -0.2355 -1.6396 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -2.3948 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.8900 -1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -3.8728 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 -4.2527 -2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 -4.7729 -3.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -6.0186 -3.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -5.8621 -4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 -6.9580 -5.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 -4.5307 -4.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 -3.7478 -5.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 -3.5825 -4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2447 -2.7154 -5.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -1.2728 -5.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.7500 -4.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 0.6840 -4.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 1.1793 -3.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 0.4486 -3.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 0.6255 -2.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 1.9789 -2.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 2.8819 -1.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 2.4117 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 4.2680 -1.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 5.0850 -1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 6.1301 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 5.7848 0.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 5.0723 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 4.6252 -0.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 4.7833 1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 4.0351 2.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1653 3.8481 3.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5984 3.1684 5.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 1.7770 4.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 1.1445 5.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -0.2943 5.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 -0.9334 6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -2.3489 6.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -2.7109 4.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -2.8061 3.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -2.0859 3.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2153 -2.6603 2.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 -2.2281 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5349 -1.9286 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -0.8172 3.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 -3.9192 3.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 -4.9955 2.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 -4.0486 3.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -5.2261 4.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 5.6802 -1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 4.6268 -2.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3991 5.0791 -3.1051 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6614 6.5554 -3.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 4.4065 -4.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 4.3786 -2.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0933 5.2477 -1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2481 4.8283 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 3.6123 0.2970 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7590 3.0641 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 2.5873 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 3.7024 1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -3.9386 -4.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -1.9096 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -1.8314 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 -0.5298 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 -1.7201 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 -3.2554 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 -3.4833 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -2.1148 -2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -3.4128 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 -4.7559 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 -3.3660 -3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -5.0621 -2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -6.9572 -3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -7.6206 -4.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -7.5669 -5.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 -6.6033 -5.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 -4.3409 -6.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -2.7614 -6.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -4.6330 -4.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -3.3524 -3.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -3.0816 -6.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 -2.6604 -4.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 -0.6978 -5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 -1.2885 -6.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 -1.4352 -4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 -0.7765 -3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 0.8954 -5.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 1.3714 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0937 1.0239 -2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.2559 -3.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 0.8072 -4.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 -0.6599 -3.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -0.1437 -3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5695 0.2382 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 1.8159 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 2.4022 -3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 4.4037 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 6.7730 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 6.8950 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1571 5.7632 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5998 4.2092 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 4.4920 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 3.0172 2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5093 4.8647 4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9979 3.2400 3.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 3.7337 5.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2753 3.2272 5.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 1.8201 3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 1.1250 4.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 1.6976 6.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 1.1023 6.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -0.8080 5.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 -0.1195 4.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 -0.3091 6.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -0.8270 7.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0317 -2.6193 6.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 -3.0361 6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 -3.5924 4.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -1.8393 4.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3002 -3.0644 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -1.3712 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 -2.8652 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1952 -1.6021 1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 -0.0151 2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1755 -1.2085 4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -0.4520 3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -4.7679 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -5.9694 2.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 -4.9894 3.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9575 -5.2259 5.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -6.1532 4.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 -5.2255 5.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 6.1515 -2.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 6.4414 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 4.9590 -5.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4152 6.1965 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 5.5488 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 5.6619 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 4.7849 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 2.5053 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 3.8502 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7412 2.2783 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9415 2.9914 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 2.1695 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0701 1.7273 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6268 4.1174 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7022 2.6522 2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8929 4.2696 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 10 61 1 0 61 6 1 0 47 39 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 7 73 1 0 9 74 1 0 9 75 1 0 9 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 M CHG 1 57 1 M END