HMDB0009542 RDKit 3D PE(22:1(13Z)/24:1(15Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -3.6448 -2.7280 -5.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 -3.2525 -4.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6196 -2.1416 -3.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7173 -1.2818 -2.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5117 -0.1530 -2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6172 0.6871 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3488 1.8371 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4435 1.2998 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1342 2.4199 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2196 2.6019 2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6045 1.6735 3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6903 1.0223 4.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0859 0.0799 5.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2167 -0.9536 4.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6635 -1.9642 5.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 -2.9170 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 -3.9931 5.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 -4.8578 4.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 -5.4974 3.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 -6.3071 2.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -5.4022 2.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -4.2455 1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 -3.4127 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -2.2157 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -2.0890 0.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -1.2072 0.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -0.0412 -0.1738 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0561 0.0648 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 1.1909 -1.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0244 1.3964 -2.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 0.5901 -2.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 2.5048 -3.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 2.5719 -4.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 2.8849 -3.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 2.8286 -4.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5266 1.5012 -4.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 0.6006 -5.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4803 -0.7291 -5.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6987 -1.4081 -4.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.7703 -4.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 -3.3093 -3.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2161 -3.3745 -2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -3.9249 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 -3.3705 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 -2.0103 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 -1.9603 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 -0.6314 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 0.2539 2.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 0.5515 2.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7991 -0.5242 3.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 -0.0497 3.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 -1.1116 4.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 1.1801 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3224 2.3449 0.0429 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3283 3.6855 1.0803 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3259 3.3831 2.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 3.8823 1.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 5.0611 0.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 6.1915 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 7.4487 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 7.3836 -1.3613 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -3.4490 -5.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 -1.8007 -5.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 -2.5223 -4.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -3.9030 -4.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4017 -3.9245 -3.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0069 -1.5164 -4.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4251 -2.5677 -3.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -0.9026 -3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3856 -1.9250 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9752 0.4486 -2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3409 -0.5791 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 0.0948 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 1.1341 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 2.3341 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7617 2.5674 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0611 0.5280 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2162 0.8227 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6422 3.2033 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7673 3.4767 2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9502 2.3195 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9475 0.9473 2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3706 0.4557 3.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3357 1.7804 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 0.6741 5.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8630 -0.3764 5.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -0.5141 3.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7567 -1.5278 3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -2.5516 5.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1427 -1.3683 6.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -2.2794 4.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2432 -3.3062 3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -3.4994 6.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -4.6320 6.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 -4.2274 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 -5.6636 5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4987 -6.2413 3.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2001 -4.8059 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2845 -7.0653 3.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 -6.8267 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 -5.1718 3.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 -6.0607 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -4.6210 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -3.6171 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -3.0186 2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -4.0092 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 -0.0797 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2328 -0.8780 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 0.2541 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 2.3392 -4.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 3.4775 -3.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5186 1.7986 -5.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 3.5249 -5.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 3.8920 -3.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 2.1601 -2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 3.5018 -5.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 3.4023 -3.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5843 1.6928 -4.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 1.0661 -3.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 1.0521 -6.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 0.2877 -4.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -0.5516 -6.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -1.2856 -6.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4123 -0.7657 -3.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -1.4900 -3.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5362 -3.4189 -5.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -2.8491 -5.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 -4.3558 -3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2639 -2.6786 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 -2.4483 -2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -4.0639 -2.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8784 -4.9655 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 -3.9350 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -1.5461 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5822 -1.3647 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -2.5793 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5155 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -0.6441 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 -0.0121 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 1.2726 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 -0.0952 3.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 0.8605 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0605 1.4936 3.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6878 -1.5263 2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 -0.5067 4.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3295 0.8598 4.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.1033 2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 -0.6376 4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3412 -1.8930 3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5716 -1.5581 4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 1.0368 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 1.2374 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 3.1568 2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 6.0683 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 6.3146 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 7.7033 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 8.2731 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 7.7915 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 6.4105 -1.7160 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 1 0 8 9 1 0 9 10 2 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 1 0 38 39 1 0 39 40 1 0 40 41 1 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 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 22103 1 0 22104 1 0 23105 1 0 23106 1 0 27107 1 6 28108 1 0 28109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 57153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 M END