HMDB0114721 RDKit 3D PE-NMe2(9D3/9D5) 135136 0 0 0 0 0 0 0 0999 V2000 -3.8577 3.5034 -6.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 2.7434 -5.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 3.5842 -4.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 4.1153 -4.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 4.9511 -2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 4.2059 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 4.2824 -1.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 3.4688 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 3.3204 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 3.9549 2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 3.6478 2.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 4.1763 4.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.1052 5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 2.9677 5.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 2.1291 4.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 1.2866 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 0.2117 3.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -0.0662 5.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -0.4931 2.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -1.5758 3.2318 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4521 -2.7045 2.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -3.0218 2.6651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 -3.8882 1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -4.4654 0.9641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -4.1876 2.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7992 -4.6619 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 -5.0132 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 -5.3665 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 -4.3053 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8448 -3.1663 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 -2.2508 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5441 -1.4597 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.5361 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -0.6823 -1.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 0.3272 -2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 0.5550 -3.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 0.3289 -4.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 0.5914 -5.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1284 1.2358 -1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 2.5368 -2.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 0.6733 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9197 1.3076 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -1.1696 2.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.1845 2.9412 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 -1.8430 2.4460 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6765 -3.0085 2.8873 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3851 -0.4743 3.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -1.7255 0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -2.8813 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 -2.7095 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 -2.4666 -1.9147 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 -1.1654 -1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 -2.5804 -3.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2734 2.8038 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 1.7812 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 3.2668 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 2.8292 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 4.2949 -7.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 3.8575 -6.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 2.7654 -7.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 1.8618 -5.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 2.3437 -5.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 2.9820 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6821 4.4529 -4.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 3.3001 -4.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0667 4.7453 -4.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 5.8174 -3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7556 5.2980 -2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 2.2377 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 3.7987 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 5.0587 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 3.5943 2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 2.5055 3.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 3.8888 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 3.6595 4.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 5.2401 4.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 4.8646 4.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 4.7530 6.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 3.3611 6.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 2.2287 6.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 2.8472 4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 1.5221 5.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2713 1.7641 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 0.6272 3.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.8515 4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -2.2886 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -3.5602 2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -3.2645 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 -4.9261 3.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -3.9623 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2806 -5.6220 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -6.0014 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 -4.2575 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9551 -5.6801 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 -6.2851 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 -3.9344 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 -4.8209 -1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9171 -3.6108 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 -2.5603 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 -2.6293 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5739 -1.4326 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 -1.9977 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 -0.7578 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 1.5629 -3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 -0.1707 -3.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 0.9657 -4.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 -0.7246 -4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8046 0.1788 -5.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 0.1287 -6.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 1.6822 -5.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 3.2897 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 2.5852 -2.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6567 2.8480 -3.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 0.8448 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 2.3612 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8486 1.3304 -0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -1.1241 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -0.1806 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 -0.2735 2.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 -3.1311 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7822 -3.7016 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3646 -1.8333 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1687 -3.6155 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -0.7167 -2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -1.1819 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7326 -0.5004 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5791 -2.3560 -3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8817 -3.6275 -3.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 -1.8180 -3.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 1.2222 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2521 2.2017 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 1.0061 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 3.6330 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0842 2.8401 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 1.8443 -1.8055 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 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 1 0 36 37 1 0 37 38 1 0 35 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 20 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 51 52 1 0 51 53 1 0 8 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 6 2 0 41 33 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 4 65 1 0 4 66 1 0 5 67 1 0 5 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 1 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 1 0 40111 1 0 40112 1 0 40113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 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