HMDB0114666 RDKit 3D PE-NMe2(11D3/9D3) 135136 0 0 0 0 0 0 0 0999 V2000 -11.8373 -5.1567 -3.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5071 -4.2232 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3297 -4.7351 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0129 -3.8281 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9938 -2.9681 -0.3287 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9164 -2.2811 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9245 -1.2371 1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8752 -1.7812 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1438 -2.9448 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -2.4864 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5941 -1.3392 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 -1.5506 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -2.5484 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 -2.0712 -0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -0.6889 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 -0.4897 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0554 0.9784 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 1.5806 1.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 1.7629 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 3.1752 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 3.6280 0.3965 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4463 5.1428 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 5.5526 1.5287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 7.2138 1.7635 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8732 7.5619 2.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 7.7418 2.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 7.9771 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 8.5625 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 9.2180 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 10.1781 -1.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 11.2995 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 10.5913 -2.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 3.3310 0.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 2.6801 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 2.2385 1.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 2.5404 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 2.8078 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 1.7689 -1.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 0.3960 -1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3037 0.4836 -2.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0061 -0.8728 -2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2162 -1.9904 -2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -3.3362 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 -3.8465 -1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 -4.7239 -0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 -4.9929 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -5.9350 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 -5.2293 2.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 -6.2633 3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 -4.2566 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 -4.2434 1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2748 -3.5182 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4126 -2.5984 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9202 -2.6838 1.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1669 -2.1150 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6195 -3.6765 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7814 -4.4188 1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9097 -4.6068 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7627 -5.7412 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9806 -5.8659 -3.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4200 -4.0920 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2728 -3.2285 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4629 -4.7617 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4901 -5.7832 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4289 -0.3800 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4984 -0.8128 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 -1.0387 2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3191 -2.2155 2.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8761 -3.7587 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3716 -3.2849 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 -3.3769 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3335 -2.1954 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 -0.8785 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 -0.5068 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -1.9792 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.5891 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 -2.5232 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -3.5604 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 -2.7721 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 -2.1687 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 -0.4283 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 0.0425 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 -0.9021 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 -0.9532 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 3.6971 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 3.5125 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 3.2537 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 5.3458 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 5.6008 -0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 8.7199 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 9.3669 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 7.7919 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 8.4493 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 9.7269 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 11.2301 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5382 11.2040 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 12.2721 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 9.7603 -2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 11.3323 -2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 11.0830 -3.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8069 3.3927 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 1.6229 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 2.9584 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 3.7915 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 1.9198 -3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 1.7579 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 -0.3732 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 0.1868 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 1.1913 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 0.7331 -3.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 -0.7599 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 -1.0309 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -2.1060 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 -1.7425 -3.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 -3.3140 -3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 -4.0604 -3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 -6.6027 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -6.6017 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -4.6650 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 -4.4857 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4094 -5.9372 4.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 -7.1785 2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 -6.5759 4.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6177 -3.6508 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0165 -3.7401 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2522 -5.2624 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5635 -2.6182 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3760 -3.0262 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 -1.6023 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8403 -1.0386 2.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5586 -2.5873 3.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2361 -2.0872 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1920 -3.9340 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6133 -4.4569 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4998 -5.4822 1.7191 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 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 2 0 17 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 21 33 1 0 33 34 1 0 34 35 2 0 34 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 1 0 46 50 2 0 50 51 1 0 50 52 1 0 52 53 1 0 6 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 4 2 0 52 44 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 3 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 20 85 1 0 20 86 1 0 21 87 1 1 22 88 1 0 22 89 1 0 26 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 32100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 51124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 55130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 M END