HMDB0114436 RDKit 3D PE-NMe2(22:0/24:1(15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -4.5821 -3.1717 -6.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -1.6467 -6.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 -1.3079 -5.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 -1.9955 -5.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.8343 -4.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 -2.6061 -4.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -2.1312 -5.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 -3.0383 -5.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 -4.3695 -5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -5.4117 -5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 -5.4570 -3.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 -5.8135 -2.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 -7.0818 -2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 -7.4030 -1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -6.2754 -0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 -6.7526 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 -5.6180 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 -4.5617 1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 -3.4371 2.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -2.3858 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -3.0002 3.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 -2.1464 4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -1.4919 4.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -0.4163 3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 0.1352 2.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 0.1004 2.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 1.1480 1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 2.1471 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6753 2.7382 3.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 3.6779 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4633 3.9117 2.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 4.3838 4.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 4.8535 5.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 5.8920 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 5.4972 3.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 6.6079 2.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 6.8917 3.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6662 7.9629 3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 7.6211 2.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 6.2952 2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 6.3168 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9694 5.1074 3.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 4.5808 2.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 4.1211 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 3.0239 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 2.6425 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 2.1354 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6039 0.9285 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7597 0.3573 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0207 1.1008 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0551 2.4238 -1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5532 2.4326 -3.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.4042 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1622 -0.1042 0.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 -0.9817 -0.8441 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8813 -0.2711 -2.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -2.4160 -1.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -1.4981 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8037 -2.5128 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -2.9965 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -1.9243 -0.8178 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8974 -0.9043 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2565 -1.3735 -2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7405 -3.6469 -5.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 -3.5596 -7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4412 -3.4049 -7.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4853 -1.1910 -6.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -1.2795 -7.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -0.2132 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3859 -1.7981 -4.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -1.5862 -6.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -3.0717 -5.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 -2.1454 -3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 -0.7603 -4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -2.4463 -3.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -3.6901 -4.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -2.1948 -6.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -1.0703 -5.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -2.5929 -6.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -2.9815 -4.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -4.4003 -6.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -6.3808 -5.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 -4.6150 -3.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 -6.3357 -4.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -5.8907 -1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 -4.9899 -2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 -7.0488 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 -7.9623 -3.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -7.4940 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 -8.3733 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 -5.4519 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -5.9142 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -7.5393 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -7.1520 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -6.0503 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0264 -5.1904 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 -4.1480 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -5.0707 2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8099 -3.7483 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 -2.8927 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -1.5302 2.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4361 -2.1568 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -3.5426 4.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -3.8387 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 -2.7346 5.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 -1.3466 5.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 -1.1646 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -2.3274 3.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4746 1.5014 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 1.6828 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 2.9826 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7351 3.7286 4.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6746 5.2714 4.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 5.2768 6.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 3.9610 5.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 6.8271 4.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 6.1570 5.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 4.5664 3.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 5.3296 2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 6.3083 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 7.5001 2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 5.9785 4.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 7.3446 4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 8.8916 3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 8.1362 4.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 7.6886 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 8.4040 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4127 5.4617 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 6.1764 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 6.6205 4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 7.1895 3.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 5.2470 4.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 4.2831 3.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 3.7547 2.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5964 5.4217 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 3.6081 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0618 4.9071 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 2.2112 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 3.4002 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0551 1.8468 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 3.5197 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 1.8117 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 2.9850 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9214 1.0843 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 0.1704 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3889 -0.0331 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0157 -0.6127 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8473 0.4720 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4027 1.2851 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2029 2.6246 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7756 3.2906 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 1.8934 -3.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3188 2.0942 -4.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3197 3.5132 -3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -0.3639 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 1.1870 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -3.1483 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 -2.1855 -2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0901 -3.3869 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5109 -3.8340 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0915 -3.3614 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9026 -0.4548 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6022 -1.3426 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2484 -0.0729 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -0.6767 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -2.2228 -2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.7770 -2.1806 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 1 0 7 8 1 0 8 9 1 0 9 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 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 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 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 23107 1 0 23108 1 0 27109 1 0 28110 1 0 28111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 52154 1 0 53155 1 0 53156 1 0 57157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 62162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END