HMDB0114202 RDKit 3D PE-NMe2(20:0/22:1(13Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -17.6206 3.4115 1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2608 3.2793 1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7139 1.9094 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3589 1.6935 2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3359 2.7175 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9953 2.4709 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4092 1.1222 1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1660 0.9057 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6157 -0.4373 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4555 -0.7157 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5298 0.3193 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 0.0329 -2.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4337 1.0354 -2.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0614 0.9710 -2.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1417 2.0104 -2.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 3.3840 -2.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 3.8966 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 4.1448 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6993 2.9749 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 3.3659 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 2.1858 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 1.6856 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 2.2358 -1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 0.5397 -0.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 0.0266 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 -0.0132 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -0.7569 -0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -0.8179 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 -0.2383 -1.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 -1.5706 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 -3.0267 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 -3.4481 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 -3.2964 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5946 -3.9300 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0168 -3.3852 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -1.9719 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9834 -1.2824 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 -2.0343 2.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5843 -1.2841 3.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0489 0.1157 3.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1981 0.0888 2.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5515 1.5342 1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6712 1.5380 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1403 2.9228 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 3.7300 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5648 5.0901 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4892 5.9472 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 6.1121 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 -1.2860 -1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.2817 -0.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 -3.6496 -1.5712 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0642 -3.2733 -2.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3226 -4.2164 -2.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -4.8948 -0.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 -5.8652 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -6.9372 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 -7.5305 0.4014 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -8.2950 -0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 -8.3399 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5027 3.2463 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3405 2.6763 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9621 4.4570 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6188 4.0751 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3849 3.3803 2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3987 1.1327 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6893 1.7883 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3816 1.6245 3.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9914 0.6984 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6931 3.6970 1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3021 2.7538 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2794 3.2982 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1683 2.5112 3.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0823 0.3590 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4476 1.0681 2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1546 1.0207 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5646 1.7459 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2159 -1.3008 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0938 -1.7594 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5261 0.1949 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 1.3508 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7937 -0.9582 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3212 -0.0578 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3648 0.8032 -3.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8751 2.0698 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -0.0139 -2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 1.0911 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 1.8040 -4.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 1.7262 -2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5702 3.5097 -3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 4.0696 -3.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 4.9008 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4956 3.2843 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 5.0232 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9558 4.5001 0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2479 2.1010 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 2.8014 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 3.6712 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 4.1716 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 2.3818 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 1.3813 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2313 0.7348 -2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 1.0233 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.4999 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 -1.1913 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 -1.4076 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 -3.2005 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -3.6565 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -4.5966 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 -3.1101 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -3.6794 -2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -2.2210 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 -5.0357 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4784 -3.8892 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2238 -3.4115 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8642 -4.0401 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 -2.0469 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7364 -1.3806 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2415 -0.2456 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 -1.2514 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 -3.0029 2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9223 -2.3236 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3588 -1.8434 3.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7078 -1.1787 4.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 0.5521 4.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2494 0.7687 2.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8656 -0.4008 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0478 -0.4151 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 2.0097 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8933 2.0526 2.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3629 0.9361 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5290 0.9902 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5524 3.3960 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9957 2.7775 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1380 3.7913 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 3.2135 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0107 5.6305 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3724 4.9743 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1685 5.5078 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8898 6.9501 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 5.7190 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1135 7.2062 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 5.6362 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -1.0561 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -1.5898 -2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 -4.8214 -2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 -6.3678 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 -5.3989 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 -7.7435 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -6.5174 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 -8.3132 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7721 -7.8658 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -9.3467 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -9.4000 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -7.9236 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -8.3945 2.0798 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 2 0 22 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 53145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 58150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M END