HMDB0285010 RDKit 3D PE(DiMe(9,3)/20:4(5Z,8Z,11Z,13E)+=O(15)) 125125 0 0 0 0 0 0 0 0999 V2000 17.2066 -2.2061 3.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8584 -2.0311 2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3965 -0.5794 2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0373 -0.5480 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4761 0.8501 1.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1776 0.8095 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8605 1.7044 0.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2350 -0.2682 1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0574 -0.3146 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 -1.3762 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -1.5050 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -0.5144 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 -1.2529 -1.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 -1.3555 -2.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 -0.6936 -2.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -1.7577 -2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 -2.1301 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -1.6160 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 -0.3427 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 0.8518 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 0.8752 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 1.2929 1.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 0.4349 -0.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 0.3974 -0.9132 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3490 -1.0113 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 -0.8056 -1.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -1.8346 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -3.0050 -1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 -1.6549 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5827 -0.2409 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 0.4794 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7117 1.9185 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 2.1625 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1150 1.5773 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4893 1.9611 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6113 1.5301 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7361 0.0666 1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5317 -0.7615 0.5315 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4062 -1.9714 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1331 -3.2099 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2258 -3.6032 1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2652 -2.5120 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4602 -1.9760 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9857 -3.1425 2.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0285 -0.6717 2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0140 -0.2343 3.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 1.2738 -1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 2.6216 -1.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 3.6416 -2.7879 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1538 4.2869 -2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 2.7791 -4.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 4.8179 -3.3087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 4.5083 -2.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 5.5453 -3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 6.8537 -2.8108 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9068 -2.5685 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5416 -1.2763 3.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1222 -3.0190 3.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8037 -2.3881 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0775 -2.5886 3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3173 -0.1527 3.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0598 0.0600 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3655 -1.2365 2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0964 -1.0012 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1798 1.4432 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 1.3076 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4089 -1.0475 2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8661 0.4675 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4014 -2.1295 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3366 -2.3373 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6595 0.0419 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3219 0.2408 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 -1.7639 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3039 -1.9363 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 0.0072 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 -0.0935 -3.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 -2.3789 -3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -3.0641 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -1.4933 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 -2.4402 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.2951 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -0.2062 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 1.7773 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 0.9827 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 0.8143 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 -1.6203 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -1.5108 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6925 -2.2133 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -2.1450 -2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 0.2730 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6305 -0.1245 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 0.4578 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7944 0.0141 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 2.4184 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 2.4619 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3193 3.2553 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4226 1.8165 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 0.4687 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 1.9693 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6481 1.6379 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5267 3.0984 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5714 1.9314 0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4566 2.0296 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5138 -3.0899 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3953 -4.0544 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7886 -3.8985 2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7214 -4.5005 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8540 -1.5023 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0848 -2.6142 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7592 -2.7077 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9813 -2.8669 3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6409 -3.2962 3.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8254 -4.0546 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0018 -0.5686 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0651 0.8509 3.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2024 -0.8300 4.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 1.0763 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 0.9947 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 2.2571 -4.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 4.5141 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 3.4851 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 5.2537 -2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 5.5125 -4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1734 7.0868 -3.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3528 6.8942 -1.7886 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 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 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 45 37 2 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 42110 1 0 44111 1 0 44112 1 0 44113 1 0 46114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 51119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 M END