HMDB0114663 RDKit 3D PE-NMe2(11D3/11M5) 144145 0 0 0 0 0 0 0 0999 V2000 -4.5990 -4.3984 5.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -3.7586 5.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5025 -3.5167 4.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -4.7709 3.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -4.4357 2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 -3.6119 1.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 -3.3552 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -2.5433 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0653 -1.9999 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -2.3254 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3618 -1.4790 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -0.0373 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 0.7209 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 0.7472 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 1.6711 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 1.8491 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 2.8120 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 2.4120 1.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6884 3.5307 2.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.1661 4.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 2.8119 4.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 2.2815 6.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 2.9814 4.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 2.5145 5.4903 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2328 1.3190 4.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 0.4342 4.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -0.6905 3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 -1.0325 3.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -1.5707 3.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 -1.8931 1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 -2.7057 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5603 -2.9033 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -3.6340 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 -3.7954 -2.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 -4.4487 -3.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -4.6260 -4.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -3.3070 -5.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -3.4830 -6.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 -2.1785 -7.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -1.3585 -8.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -0.3173 -8.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 0.8070 -9.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.9707 -8.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 3.1951 -9.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 -0.4235 -7.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 0.5291 -7.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -1.6098 -6.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -2.1353 -6.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 3.6176 5.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5176 3.2822 6.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 4.6328 6.8963 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6821 4.2155 7.7704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 5.8813 7.6494 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 5.1896 5.3793 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 4.2465 4.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 4.7021 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 3.7310 2.8854 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8135 4.2045 1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 2.4260 2.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 -2.9841 0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -5.4640 5.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 -4.2498 6.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0202 -3.8436 4.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -4.3774 6.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 -2.7524 6.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -2.8195 4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 -3.0596 4.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -5.3916 4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -5.3949 3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -5.3765 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -3.9291 2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -3.7388 2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8933 -2.7437 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0795 -1.6706 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -1.1628 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 -1.7561 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 -1.8042 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 0.1463 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 0.4785 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 1.7945 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 0.4243 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -0.2729 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 1.0168 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 1.2219 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 2.6471 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 2.2253 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 0.8866 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 3.8218 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 3.0541 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 2.0938 2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 1.5339 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 4.4590 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 3.7555 2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 4.0696 4.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 2.3788 4.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 2.1084 6.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 1.6184 3.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 0.7901 5.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -2.4675 4.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 -1.0616 3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7424 -2.2951 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -0.8986 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -3.6489 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7731 -2.0812 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 -3.4942 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -1.9195 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 -2.9913 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -4.6016 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -4.3973 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 -2.7439 -2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3266 -3.8498 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 -5.4559 -2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1297 -5.3382 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8787 -5.0750 -5.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 -2.8652 -4.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -2.6371 -5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 -4.2514 -6.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -3.8411 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 0.5234 -9.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 1.0972 -9.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 1.5976 -7.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 2.1149 -7.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 3.5598 -8.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 4.0247 -8.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.0634 -10.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 1.1215 -6.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 1.1881 -8.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 -0.0217 -7.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4664 -2.1207 -6.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -1.4436 -5.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 -3.1795 -5.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 4.4835 6.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0038 4.0362 4.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9472 6.7684 7.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 4.2166 5.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5176 3.2430 4.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 4.8818 2.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0113 5.6607 3.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 3.4335 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2636 5.1125 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9238 4.4054 1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 2.4540 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 1.7278 3.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1677 1.9540 1.8113 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 10 60 1 0 60 6 1 0 47 39 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 1 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 46126 1 0 46127 1 0 46128 1 0 48129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 53134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 59144 1 0 M END