HMDB0113900 RDKit 3D PE-NMe2(14:1(9Z)/18:2(9Z,12Z)) 121120 0 0 0 0 0 0 0 0999 V2000 5.8786 -1.8662 -1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2453 -3.0117 -2.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -4.2315 -1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -4.0172 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2466 -3.0938 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -3.4975 2.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -4.8415 2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0144 -4.8413 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -6.2532 4.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 -7.0911 3.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -6.8620 2.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -5.5814 2.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4823 -4.8282 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 -3.5803 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -3.7224 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -2.3280 0.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 -1.2744 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 0.0920 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 0.4792 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 0.0019 -1.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0319 0.5402 -2.5656 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2252 1.4232 -2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 1.3630 -3.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4538 -0.7852 -3.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 -0.6986 -4.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -1.8695 -5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -3.1165 -5.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -4.1901 -5.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -3.1143 -5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 0.5371 1.6219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 1.6250 2.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 2.1944 2.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2742 2.0016 3.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 3.1180 4.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 3.2033 5.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 3.3212 4.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 4.5524 4.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 4.6904 3.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6871 3.5680 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 3.7881 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5743 3.9416 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0135 3.9508 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5982 3.6791 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 4.5606 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 5.9453 -1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 6.1750 -2.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5577 5.2546 -3.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 5.4797 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7328 5.2099 -5.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -0.9995 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 -1.4334 -2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 -2.2107 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -2.5891 -2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 -3.2762 -3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -4.7151 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -4.9782 -2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0207 -3.5300 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -4.9860 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -2.0126 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -2.7472 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -5.1821 3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -5.6289 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -4.3984 4.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -4.1745 3.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -6.7277 4.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 -6.1963 5.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 -7.1335 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 -8.1699 3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1974 -7.7169 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 -7.1640 3.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 -4.8713 3.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -5.7155 2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -4.5404 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 -5.4363 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -1.4923 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -1.3200 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 0.7658 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 -0.0318 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 1.5641 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 2.0640 -3.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.2347 -5.2088 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -3.5807 2.6083 3.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 3.5812 1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7714 3.8224 3.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7214 4.1016 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5466 3.0866 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3514 4.8354 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 2.6756 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 4.2549 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 6.2923 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3996 6.6737 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 5.9912 -2.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9337 7.2419 -2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6302 5.5078 -3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 4.2013 -3.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 4.7376 -5.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 6.5140 -5.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 4.2380 -4.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 6.0355 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 5.0877 -6.3811 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 27 28 1 0 27 29 1 0 18 30 1 0 30 31 1 0 31 32 2 0 31 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END