HMDB0008886 RDKit 3D PE(14:1(9Z)/P-18:1(9Z)) 116115 0 0 0 0 0 0 0 0999 V2000 -14.7262 4.3068 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1036 2.9315 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0679 3.0580 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3521 1.7294 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3766 2.0344 1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0678 1.9017 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3898 1.4085 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4122 2.3400 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 2.7891 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4325 1.6967 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7485 0.8506 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8396 1.5958 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 0.6032 -1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -0.3585 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.4385 -0.7553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.0079 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 -0.6268 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6262 -1.7645 -0.4161 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3968 -2.9040 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -3.6286 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 -4.8879 -0.7913 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6945 -4.2878 -1.9526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -5.5725 0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 -6.0278 -1.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 -7.2611 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 -8.2871 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 -9.5995 -1.9292 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 -2.2617 0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 -3.2781 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 -2.9792 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -1.6175 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 -1.2631 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 -1.3669 1.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.8899 2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1952 -1.4600 2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9884 -1.1856 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 0.2758 1.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 0.8990 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5702 0.3184 1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3147 0.6695 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 2.1440 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1631 2.8641 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 4.3296 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9085 4.6054 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3208 4.0846 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 4.4495 -2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6826 4.3076 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0372 5.1014 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9288 4.4434 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8776 2.2054 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6193 2.6345 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3348 3.8360 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5131 3.3876 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8898 1.3241 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0792 0.9836 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8250 2.4258 2.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5554 2.1992 2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7564 0.5210 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0687 0.9578 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 1.8971 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9797 3.2461 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6046 3.4177 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6733 3.4964 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0707 1.0099 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6879 2.0901 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1879 0.0697 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 0.3104 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 2.0956 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 2.3607 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 1.0977 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 0.0823 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 0.1325 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -0.9523 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 -1.3234 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 -3.7064 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -2.6675 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5981 -4.8325 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 -7.2191 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 -7.5134 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 -8.3464 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 -7.9669 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 -9.6669 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -10.3010 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -4.2902 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -3.7992 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1647 -1.5504 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.8503 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 -2.1785 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -0.3400 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 -0.8062 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 -2.4631 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 0.2609 2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -1.0526 3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8023 -0.9977 3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 -2.5583 2.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0127 -1.6520 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 -1.6105 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 0.8456 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.0053 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0894 0.7811 2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 -0.7543 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 0.1189 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6549 0.2742 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 2.2448 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4172 2.5575 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2041 2.4668 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7323 2.6504 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6568 4.9081 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1814 4.7720 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9389 5.7200 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 4.1498 -1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8985 4.5702 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3940 2.9885 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5004 5.4422 -2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5502 3.6666 -2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 4.3958 -1.9966 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 2 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 2 0 14 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 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 2 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 17 72 1 0 17 73 1 0 18 74 1 6 19 75 1 0 19 76 1 0 23 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 M END