HMDB0009281 RDKit 3D PE(20:1(11Z)/P-18:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -17.3634 4.2572 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4236 3.0814 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7442 2.7170 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8344 1.5464 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0920 1.0896 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2133 -0.1031 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4720 -0.5743 -2.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1573 -0.6208 -2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2191 -0.2047 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3221 0.9252 -1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3705 1.3542 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4755 0.2613 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6278 -0.2544 -1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7521 0.8388 -1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8835 1.3835 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 0.3328 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 0.9914 1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 0.9829 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.3613 0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -0.5437 0.4826 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5521 -1.1623 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 -2.0243 -0.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4033 -2.7752 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -2.6539 -2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 -3.6444 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -2.7881 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 -2.3583 -1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 -1.5730 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4222 -0.2542 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0588 0.0297 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8801 -0.6702 1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3407 -0.4566 1.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 0.8449 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8118 1.9620 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9012 2.5106 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2564 2.0195 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1626 3.0656 1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 4.2796 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 4.2438 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 3.7248 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5401 2.2810 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9877 1.8998 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1237 0.4391 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 -1.6209 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -2.3568 0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 -3.5663 1.5927 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6079 -3.7426 2.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 -3.0687 2.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -5.0219 0.7467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -6.0177 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 -7.3087 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 -7.7393 0.5254 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2523 4.1055 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8683 5.2225 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7330 4.3189 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9345 2.1767 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6598 3.3403 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5481 2.4528 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1880 3.6228 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4837 0.7422 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1338 1.8712 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4173 1.8918 -1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8129 0.7477 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6271 0.2712 -0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9679 -0.8831 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0611 -0.9095 -2.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7200 -0.9986 -3.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7305 0.0042 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5051 -1.0706 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9698 1.7910 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7817 0.6387 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9432 1.7851 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7712 2.1953 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8795 0.6518 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0507 -0.5946 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2598 -0.6637 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9434 -1.0749 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3405 1.6814 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1021 0.4211 -2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2234 2.1957 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 1.8751 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 -0.4982 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 -0.0924 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 1.4892 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 1.4658 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 0.0313 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 -0.3322 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -1.7174 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 -3.8880 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 -4.5437 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 -3.3956 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 -2.0130 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 -1.8417 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -3.2647 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -2.2173 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 -1.4334 -2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 0.1636 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 0.4799 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 1.1563 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9829 -0.1035 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 -1.7893 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -0.4741 3.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7143 -0.9064 0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7403 -1.1831 2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9955 0.7232 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 1.2297 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8673 2.4688 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 3.3616 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3935 1.0500 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7001 1.8932 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0092 2.5888 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5711 3.4625 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 4.9836 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3494 4.7804 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1719 3.7806 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9186 5.3290 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5349 3.8424 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1019 4.3677 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3266 1.9459 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8925 1.7023 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6098 2.4936 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1127 2.0944 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1946 0.1439 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8000 0.3111 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4950 -0.1953 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 -1.1842 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 -2.2689 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 -3.1679 3.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 -5.7277 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2067 -6.2446 2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -7.1192 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -8.1127 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 -8.6820 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 -7.0691 -0.0173 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 2 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 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 20 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 20 86 1 1 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 48128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 M END