HMDB0061526 RDKit 3D PE(MonoMe(11,5)/DiMe(11,5)) 144145 0 0 0 0 0 0 0 0999 V2000 14.5880 7.4825 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9613 6.0883 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9151 5.1959 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4106 3.7764 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2297 3.1728 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7507 1.7738 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5316 0.6407 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6709 -0.4211 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9854 -1.8659 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4032 0.1660 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1686 -0.6960 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0147 -1.3180 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8653 -2.2501 1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5757 -1.5066 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4442 -2.4965 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1405 -1.8757 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1618 -1.3171 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 -0.7672 -1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 0.3539 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.6892 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.5038 -0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.3569 0.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 -0.7761 -1.3229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -1.9834 -0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 -1.9667 0.4189 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7487 -3.3737 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4084 -4.1599 0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1772 -5.7565 1.1614 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5082 -6.4894 1.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -5.8864 2.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 -6.5605 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 -7.3864 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -8.0820 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -8.9610 -2.6558 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -1.0436 0.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 0.0474 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 0.3607 2.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 0.8912 1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7869 0.0419 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -1.1992 1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 -2.2309 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2337 -1.8831 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -1.4515 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5224 -1.1881 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4517 -0.7656 1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1020 0.5158 2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1988 1.6979 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5994 1.8709 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4494 2.6229 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6458 2.6450 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7932 3.3908 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9550 4.7107 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1506 4.5982 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3514 5.9986 -1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5680 6.6205 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6040 1.8652 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6721 1.4971 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2851 1.3738 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7913 0.5223 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4880 1.4383 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9334 8.1687 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6659 7.8634 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5869 7.4874 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8365 5.7491 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9529 6.1054 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 5.5868 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8828 5.1680 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0607 3.1608 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4105 3.8232 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1930 3.1439 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4481 3.7374 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6094 0.5930 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1566 -2.3985 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8862 -2.0208 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1634 -2.3702 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3665 -1.4317 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 0.0072 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7731 -0.4869 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9640 -1.7843 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9748 -3.1113 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7594 -2.6951 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4783 -0.6793 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6738 -1.0609 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -3.0358 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 -3.3033 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 -2.6134 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9435 -1.0871 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 -2.1462 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 -0.5331 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1067 -1.5999 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -0.4001 -2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 0.1822 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 1.2712 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 0.8837 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 1.5654 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.8399 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 -2.2147 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -1.7037 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -3.7900 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -3.3890 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 -5.6722 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -8.1213 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -6.7645 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 -8.6003 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 -7.2638 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -8.4794 -3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 -9.3997 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3008 0.9868 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 1.8466 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 0.6809 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 -0.2205 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2178 -1.7023 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7115 -0.8957 1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 -2.7022 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 -3.1014 1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6469 -2.7879 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1489 -1.0356 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2068 -2.2866 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7916 -0.5036 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8675 -2.0814 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3084 -0.3835 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3734 -1.5965 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5112 -0.7231 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1344 0.4778 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8614 0.6970 2.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8752 2.6102 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5383 1.5875 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7184 2.7750 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6297 3.6041 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7712 5.3153 1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0375 5.3444 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0241 3.9907 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1829 4.2363 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5725 5.8514 -2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4415 6.5853 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3660 7.0388 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9724 7.4256 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3492 5.8145 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6027 2.0733 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6486 1.6230 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5778 0.4193 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8080 -0.5470 -1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4319 0.7347 -2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7677 0.8192 -1.7380 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 10 60 1 0 60 6 1 0 58 48 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 7 72 1 0 9 73 1 0 9 74 1 0 9 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 55138 1 0 57139 1 0 57140 1 0 57141 1 0 59142 1 0 59143 1 0 59144 1 0 M END