HMDB0009056 RDKit 3D PE(18:1(9Z)/16:1(9Z)) 123122 0 0 0 0 0 0 0 0999 V2000 9.4426 6.4475 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 6.6681 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3227 5.3034 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 4.6855 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7761 3.3602 -1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9705 2.3523 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 2.1176 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1605 0.9453 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6615 -0.2646 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 -0.8068 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3776 -1.1774 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 -1.7571 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8537 -0.8284 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 0.4342 -1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 0.1123 -0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -0.5570 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 -0.6321 -2.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 -1.1630 -0.9807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -1.8274 -1.5144 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4008 -1.3023 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -1.3548 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 -0.6440 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 0.1571 0.8971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -0.7800 2.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 -1.8432 3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -1.7097 2.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.4854 2.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 -0.3746 2.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4533 -1.5550 2.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -1.5518 2.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1211 -1.5004 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7784 -0.5413 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3545 0.5848 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8347 0.6907 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3931 0.8948 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8957 2.1694 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4596 2.4293 -2.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9545 2.5302 -2.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3878 3.6322 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9068 4.9872 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 -3.3426 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -3.9376 -1.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -5.6151 -1.6573 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2355 -6.3209 -2.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 -5.9906 -0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 -6.2492 -1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -6.4021 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 -6.9783 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -6.1515 0.4941 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 7.2383 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6472 6.4900 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4301 5.4382 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6013 7.2480 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 7.1862 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4016 4.6625 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3017 5.4793 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3353 4.6074 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1748 5.3539 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 3.0009 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7829 3.4724 -2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4798 1.4724 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7334 2.8137 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2929 2.9816 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 0.8502 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8123 -1.1022 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6048 -0.1614 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9787 -1.7403 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3398 -0.0555 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6778 -1.8924 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9949 -0.2612 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -2.6734 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 -2.1128 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7236 -0.5553 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -1.3646 -3.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9918 1.0735 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8285 1.0329 -2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 1.0530 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 -0.5240 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 -1.7239 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -0.2337 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 -1.8187 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 0.1891 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -1.0184 3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 -2.8152 2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1638 -2.0000 4.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1027 -2.6348 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -1.8347 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -0.6042 4.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 0.4425 2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1053 0.5482 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 -0.2322 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -2.4708 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3466 -1.7031 3.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2676 -2.5953 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4531 -0.8879 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7316 -2.2930 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9124 -0.5624 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 1.5180 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0178 0.6981 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1564 1.5898 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3379 -0.1634 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5106 0.9389 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2081 0.0157 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7802 2.0519 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0463 2.9930 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0113 3.3342 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2051 1.5480 -2.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3326 2.7816 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3894 1.5815 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5127 3.6570 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1619 3.3480 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4266 5.0292 -2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7020 5.7695 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1204 5.2795 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -3.6011 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -3.7025 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -6.5269 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 -5.4047 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -7.0623 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -7.1307 1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -8.0001 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 -6.7483 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7209 -5.4150 -0.2095 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 2 0 16 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 1 0 30 31 1 0 31 32 2 0 32 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 19 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 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 5 60 1 0 6 61 1 0 6 62 1 0 7 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 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 19 79 1 6 20 80 1 0 20 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 45117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 M END