HMDB0244655 RDKit 3D 2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-m... 68 72 0 0 0 0 0 0 0 0999 V2000 -7.3813 -3.2432 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8636 -1.9353 0.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 -1.7433 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -2.8474 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2908 -2.6602 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -1.4139 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -1.1971 0.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -2.1530 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 -3.4019 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 -1.6925 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -2.4582 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -2.0675 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6997 -0.8843 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 -0.3689 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 0.9609 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 1.4472 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 0.6710 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0637 1.1931 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1849 0.5381 0.3289 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2082 1.3544 0.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7803 2.5234 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6594 3.7080 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4429 2.4435 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -0.6396 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -1.1527 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 -2.5724 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -0.1148 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 -0.5191 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -0.3220 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 -0.4660 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8663 0.6200 0.4062 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4511 1.9643 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 2.3105 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 2.3255 -0.5937 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9861 3.4618 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1848 1.0773 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1618 0.6112 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0175 -3.7233 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4638 -3.2955 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8868 -3.8412 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -3.8466 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7246 -3.5708 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 -0.1702 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 -3.3943 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -2.6755 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 1.5856 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8482 2.4875 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1847 3.9640 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 4.6042 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 3.4846 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -1.3112 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 -3.2144 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -2.7575 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6435 -2.7842 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 0.8288 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 0.0907 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1836 0.6620 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4301 1.9680 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5278 2.6187 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 1.5429 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 3.3082 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9550 3.2124 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9346 3.9496 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1689 4.1996 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3411 0.3279 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1467 1.2785 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 1.4077 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4823 -0.2933 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 17 24 1 0 24 25 2 0 25 26 1 0 13 27 1 0 27 28 2 0 6 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 30 3 1 0 37 31 1 0 28 10 1 0 25 14 1 0 23 18 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 5 42 1 0 7 43 1 0 11 44 1 0 12 45 1 0 15 46 1 0 16 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 32 58 1 0 32 59 1 0 33 60 1 0 33 61 1 0 35 62 1 0 35 63 1 0 35 64 1 0 36 65 1 0 36 66 1 0 37 67 1 0 37 68 1 0 M END