HMDB0114302 RDKit 3D PE-NMe2(20:3(8Z,11Z,14Z)/18:1(11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 3.7574 -0.3569 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 -1.3917 -2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 -1.4819 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -1.9533 -2.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 -3.4161 -2.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6201 -4.2671 -3.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -5.2079 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -5.7691 -2.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8506 -5.5246 -3.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 -5.1242 -2.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -4.8657 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1418 -3.5281 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 -2.6810 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1712 -3.0446 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -3.1217 2.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -3.4374 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -2.3079 2.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -2.7596 3.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -1.8306 3.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 -1.1258 2.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -0.4234 3.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.9999 1.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 -0.1626 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 0.0480 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 -0.9895 -1.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -2.1202 -1.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 -3.2059 -2.9746 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7935 -4.4637 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -2.5211 -3.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 -3.5154 -4.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -4.6613 -5.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 -4.9216 -6.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 -6.1149 -6.9961 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -7.2744 -6.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 -6.2185 -8.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 0.6140 -1.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5215 1.9505 -1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 2.6740 -1.5367 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 2.6073 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 4.0888 -1.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 4.7398 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 4.7279 0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 3.4255 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 3.5986 2.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 4.2668 3.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 3.4589 3.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 4.2260 5.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 3.4599 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 3.8381 5.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 5.1736 5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 5.0721 4.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 6.4549 3.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 6.3887 2.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2949 5.6706 3.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2954 5.7051 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 0.6448 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 -0.5614 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 -0.2809 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -2.3244 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -1.0551 -3.6228 H 0 0 0 0 0 0 0 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0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 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 2 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END