HMDB0008972 RDKit 3D PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -13.1134 6.3881 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5632 5.0172 0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7458 4.0637 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0916 2.9456 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0764 2.5199 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7821 2.3347 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1246 1.2103 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6467 -0.0093 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6840 -0.3929 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 -1.5621 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2869 -2.6082 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2765 -3.1778 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0398 -2.8566 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3918 -1.7219 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8277 -0.8671 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 -0.5780 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 -1.0327 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 0.2034 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 -0.0779 1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.8490 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -1.2531 2.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 -1.1851 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -1.9247 -0.4256 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4991 -1.3108 -1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -0.0455 -1.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 0.2443 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -0.6997 0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 1.6275 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5523 1.7970 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6182 0.9202 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 1.0155 1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5024 2.3834 1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7749 2.6587 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 1.9834 1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1855 0.5425 1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1072 0.0244 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0168 0.8385 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4682 0.6167 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3899 1.4388 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1223 2.9023 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1155 3.7183 -1.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5105 3.3988 -1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 -3.3433 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -3.3205 -1.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 -4.6872 -2.6508 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9458 -4.6894 -4.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -4.5388 -2.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 -6.1565 -2.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 -6.4627 -0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 -7.9503 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -8.0880 0.6773 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2816 6.2638 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9564 6.9034 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7796 7.0363 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9011 4.7919 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5819 5.2193 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4930 4.3239 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3318 2.3152 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4474 1.6474 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8844 3.2809 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3181 3.1873 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1623 1.1592 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6251 0.0387 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7006 -0.7673 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4501 0.3384 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4369 -1.7446 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2736 -2.5480 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6176 -3.5349 1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6325 -4.0761 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3902 -3.4501 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 -2.0525 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0544 -1.0282 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5215 -0.5137 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2048 0.0552 -1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 -1.8061 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -1.4585 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 0.7270 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 0.9337 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 -0.5979 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.8993 2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 -2.1263 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -1.9890 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 -1.3321 -2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 1.8798 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 2.3057 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 1.5760 2.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 2.8719 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3603 -0.1258 2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8844 1.2737 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 0.3162 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9427 0.6300 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 3.1304 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6621 2.7093 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5481 2.5150 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9989 3.7881 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 2.5685 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 2.1500 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -0.1966 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1777 -1.0815 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 1.8935 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 0.4515 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6313 0.7529 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6922 -0.4617 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1810 1.1779 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4619 1.1949 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 3.1170 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0596 3.2672 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8781 4.7963 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9463 3.4695 -2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9561 2.6558 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4328 2.9895 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0858 4.3276 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -3.8682 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1738 -3.7735 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -3.6834 -3.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.0948 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6497 -5.9548 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -8.4817 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -8.3778 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 -7.6115 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 -7.5969 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 1 0 35 36 2 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 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 23 81 1 1 24 82 1 0 24 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 47115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 M END