HMDB0114415 RDKit 3D PE-NMe2(22:0/18:0) 151150 0 0 0 0 0 0 0 0999 V2000 -5.5681 -5.2073 6.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 -3.7880 6.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7436 -3.3951 7.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 -1.9286 7.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7452 -1.4107 9.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 -0.0247 9.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9942 1.0621 8.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8925 1.2058 7.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5835 2.5421 7.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5477 2.8115 5.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2144 1.7711 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1566 2.0964 3.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7389 2.2284 2.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 1.0071 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4251 -0.2327 2.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4652 -1.3512 2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 -2.6697 1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 -2.5329 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2071 -3.8136 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 -4.9136 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -4.7020 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0926 -3.6039 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 -3.4411 1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.6559 -1.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.5613 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -0.8037 -1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 0.4437 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 0.3274 -0.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.9294 -0.6204 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9013 2.7083 -1.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 2.6563 0.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 1.9875 -0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 3.2666 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8771 3.3774 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 3.0891 1.1448 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5432 3.2274 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 3.7488 2.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 -0.3609 -2.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 -0.8124 -3.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0052 -1.6642 -4.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 -0.2346 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5353 1.0982 -5.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4409 0.7929 -6.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 2.0598 -6.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 1.8436 -7.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 1.1004 -7.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 0.8620 -7.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 0.0732 -7.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.7149 -6.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 -0.2068 -5.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 0.3187 -4.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7809 -0.6684 -3.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4513 -0.2200 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4763 -1.2280 -2.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1784 -0.8442 -0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1934 -0.7282 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8761 -0.3508 1.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5195 -5.8010 7.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 -5.6107 5.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5412 -5.3070 5.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6619 -3.1412 5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 -3.6476 6.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -4.0290 8.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 -3.4720 7.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5743 -1.4277 7.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -2.0125 7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3358 -2.1251 10.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8692 -1.5891 9.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2414 0.1057 9.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5667 0.1219 10.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5205 2.0355 9.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0781 1.2438 9.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4158 0.4152 6.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8517 1.2362 7.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 3.3424 7.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6097 2.5216 7.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1183 3.7690 5.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5305 3.0304 5.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6584 0.7990 4.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3005 1.6582 4.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6918 3.0435 3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6424 1.2863 2.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2238 3.1219 3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8207 2.3733 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 1.2177 2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 0.7548 4.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4189 -0.5254 2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4379 -0.1071 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -1.4836 3.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -1.1176 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8825 -2.9529 2.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 -3.4770 2.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7888 -1.8565 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 -2.0704 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 -4.2181 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 -3.5909 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0711 -5.0777 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 -5.8889 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -5.6459 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 -4.5508 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.0050 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -0.9936 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -1.5197 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 0.9369 -2.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.1787 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 3.6426 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 4.0521 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 3.5451 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 2.7608 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 4.4480 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7602 4.2617 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8462 2.5293 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 3.0229 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 3.4636 3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 4.8496 2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 3.3259 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 0.0031 -3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 -0.9561 -5.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 1.7656 -4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4361 1.5235 -5.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 0.2030 -5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 0.1897 -6.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7621 2.6872 -7.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 2.6775 -5.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 1.2235 -8.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4776 2.8441 -8.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.0764 -6.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 1.6730 -6.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 0.3647 -8.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 1.8573 -8.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -0.9524 -7.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 -0.0675 -7.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 1.6687 -6.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 0.9450 -5.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 -0.3667 -6.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 -1.1953 -5.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2804 1.2588 -4.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.5448 -3.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 -0.7892 -4.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -1.6535 -3.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 0.7679 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 -0.1178 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 -1.3161 -2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 -2.2307 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9569 -1.5747 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 0.1465 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4913 0.0873 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 -1.6481 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 0.1606 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 0.3674 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 -1.2486 2.2653 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 1 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 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 25102 1 0 26103 1 0 27104 1 0 27105 1 0 31106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 36111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 37116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 57151 1 0 M END