HMDB0284842 RDKit 3D PE(DiMe(11,5)/18:3(10,12,15)-OH(9)) 135135 0 0 0 0 0 0 0 0999 V2000 11.7514 -7.5155 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4738 -6.3320 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5209 -5.4124 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8215 -4.1619 -1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8888 -3.2211 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 -2.0275 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 -0.8227 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5996 0.3995 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 1.5706 -1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7174 2.8756 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8828 3.4518 -0.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 2.7336 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 4.0845 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6959 4.0175 2.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 3.5913 1.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 3.5090 3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 2.4731 4.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 1.1115 3.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.8260 2.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 0.6827 3.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 0.7224 1.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 0.4631 1.2614 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6490 -0.7991 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -1.2195 0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 -0.7630 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 0.2007 -1.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -1.3928 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 -0.4435 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 0.8898 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 0.8829 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9257 0.3989 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8484 1.2635 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2602 0.9421 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8865 -0.2928 -0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4864 -1.6167 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4837 -2.6235 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8211 -2.1605 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7555 -1.4898 -0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7813 -1.2813 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0171 -0.5519 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1479 -1.5036 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8193 -2.4234 -1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9364 -3.3894 -1.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4974 -4.2483 -3.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4958 -1.8706 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3440 -1.9121 2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2506 -2.4329 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5322 -3.1758 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 1.6956 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 1.9319 -0.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 3.3557 -1.4071 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5131 4.4294 -1.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 2.9998 -3.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 3.8019 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 5.1634 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 5.5787 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 7.0158 0.2282 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7960 -7.3993 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 -7.4780 -2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 -8.4756 -0.6842 H 0 0 0 0 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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 1 0 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 47 37 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 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 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 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 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 44120 1 0 46121 1 0 46122 1 0 46123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 53129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 M END