HMDB0009047 RDKit 3D PE(18:1(11Z)/24:1(15Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -5.4090 -8.9371 -3.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9947 -8.4790 -5.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0914 -7.4602 -4.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6172 -6.1932 -4.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7944 -5.2531 -4.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4271 -3.9410 -3.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9833 -4.1314 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8093 -3.8147 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7646 -3.2060 -2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -4.1276 -2.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -3.4594 -3.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -4.1524 -3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 -4.5100 -2.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -3.5714 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 -2.6856 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 -1.6299 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -0.5880 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 0.4037 -1.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 0.3665 -1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 1.3813 -2.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 2.3770 -3.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 3.4185 -2.1227 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4343 4.1095 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 4.5725 -3.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 5.3805 -3.5985 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0350 6.8452 -3.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 5.4022 -5.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 4.8135 -2.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 4.0657 -3.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 3.5840 -2.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 2.7970 -3.5311 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 2.8892 -0.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 3.4275 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 4.3913 -0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8814 3.0427 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 1.8954 1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 1.5942 3.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 0.4882 3.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 0.4456 4.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 0.3759 3.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 0.2770 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 1.4430 5.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 2.7855 4.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 3.3464 3.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 2.7159 2.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.5336 2.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 0.9262 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 1.8645 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 1.6484 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8593 0.4751 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 0.9022 1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 1.5851 2.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 2.0693 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6405 3.0571 2.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8339 4.2559 2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7034 5.2197 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9398 6.4332 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1802 -9.4249 -3.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5534 -9.6292 -3.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 -8.0659 -3.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3965 -9.3489 -5.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -8.0670 -5.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4851 -7.2345 -5.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9372 -7.8330 -4.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 -5.7943 -4.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2236 -6.4225 -3.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6033 -5.7638 -3.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1681 -5.0022 -5.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3667 -3.2952 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -3.3685 -4.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7098 -4.5864 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 -4.0203 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -2.3005 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 -2.8448 -3.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8393 -5.0648 -2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -4.1995 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 -2.3658 -3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -3.5483 -4.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -5.0851 -4.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -3.5420 -4.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -5.1904 -2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 -5.3106 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 -3.0420 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1217 -4.2560 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -2.2214 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -3.3545 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -1.0131 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -1.9784 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 -0.9731 -2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 -0.0445 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 2.9137 -4.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8006 1.9394 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5223 4.2538 -2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 4.8890 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 3.3723 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 4.5209 -5.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 4.6177 -4.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 3.1629 -3.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 2.9228 -1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 4.4688 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 3.2786 -4.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 1.8299 -3.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8905 2.5704 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 3.8609 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.3063 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 1.0268 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 2.5240 3.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8217 1.4170 2.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -0.5150 3.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9734 0.2849 4.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7984 -0.4968 5.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 1.2476 5.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 1.1020 2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -0.6289 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -0.6025 4.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -0.0707 3.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 1.3921 6.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 1.2311 5.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 3.0702 3.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2347 3.4933 5.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 4.4138 3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 3.5786 4.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 3.4615 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 2.3051 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 0.8528 3.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 2.0570 3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 0.7530 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 -0.0689 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 2.7865 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 2.4178 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 0.0790 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -0.2951 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7769 1.5128 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -0.0422 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 0.8164 3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 2.3889 2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3673 2.5781 4.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4422 1.2131 3.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0831 2.5988 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 3.3856 3.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4664 4.8016 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9756 3.9990 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5815 5.5714 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 4.6769 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 6.8198 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9955 7.2623 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8928 6.2246 0.8615 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 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 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END