HMDB0114694 RDKit 3D PE-NMe2(11M5/9D5) 144145 0 0 0 0 0 0 0 0999 V2000 -4.1250 6.4176 -4.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 6.3308 -3.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 4.8907 -2.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 4.7824 -1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 3.3726 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 2.5417 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 2.3207 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 1.5139 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5485 1.0231 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 1.2651 -2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 0.4200 -3.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -1.0535 -3.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6206 -1.3768 -2.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3778 -2.8092 -2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 -3.0879 -2.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -2.2102 -1.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 -2.3771 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 -3.7827 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -4.1352 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -3.2011 1.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -3.5733 1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 -4.5526 1.0235 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -2.8395 2.4383 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 -3.2475 2.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -2.3369 3.3040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4535 -2.3611 4.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -1.9644 4.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 -1.9593 6.1697 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7740 -3.2823 6.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -1.7307 7.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 -0.6809 6.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -0.9663 6.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 0.2145 6.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 1.3896 7.5345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 1.8672 6.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 2.4419 7.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9435 -1.0125 2.8241 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -0.2284 2.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1379 -0.7490 2.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 1.1798 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 1.7326 1.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 3.0947 1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 3.6680 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9207 3.3115 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 2.2144 -2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1564 0.8208 -2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -0.1595 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -0.3978 -2.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 -1.4412 -3.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -1.4428 -3.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 -2.4062 -4.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 -1.7838 -5.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -1.4710 -6.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 -0.8441 -7.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.4646 -7.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -0.3569 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 0.0679 -3.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 0.2907 -2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 1.5143 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 1.8885 -2.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 5.4661 -5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 6.3915 -4.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 7.2653 -5.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 6.9669 -3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 6.6928 -2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5005 4.3080 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 4.5333 -3.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 5.3991 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 5.1673 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1986 2.9204 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9314 3.3203 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 2.7432 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 0.0156 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2329 0.9875 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9745 1.7167 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7605 0.6587 -4.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 0.6072 -3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5156 -1.6405 -3.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6882 -1.2302 -2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 -1.2117 -3.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -0.6768 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7279 -3.4482 -3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9305 -3.1064 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 -4.1440 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 -2.8719 -3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 -1.1651 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1941 -2.5071 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -1.6289 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -2.2212 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -3.9280 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -4.4751 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -4.2604 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 -5.1461 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 -3.3369 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 -2.1282 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 -3.1639 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -4.2902 2.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 -2.7276 3.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 -3.3654 5.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 -1.5963 5.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 -1.3049 8.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -1.1393 8.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -1.8743 6.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 0.4548 5.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 0.0036 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 1.4828 7.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 1.5143 5.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.9854 6.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 2.8392 6.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 2.0180 7.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 3.2671 8.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 1.2782 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 1.7448 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.0067 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 1.7277 2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 3.7583 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3015 3.3650 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7966 4.8213 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 3.7814 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 4.2552 -2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 3.5855 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 2.5491 -3.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 2.2663 -2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 0.8003 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 0.3408 -3.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9164 -1.1396 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 0.0249 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 -3.2712 -4.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -2.6568 -4.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -2.5642 -6.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 -0.9212 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 -2.4051 -6.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 -0.8238 -5.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -0.6163 -7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -1.5153 -8.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 1.0336 -8.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 1.1118 -6.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 0.3030 -7.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 1.0062 -3.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 0.2348 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -0.7757 -3.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 2.2922 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 1.3048 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 1.8941 -0.9614 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 7 8 1 0 8 9 1 0 8 10 2 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 10 60 1 0 60 6 1 0 58 48 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 7 72 1 0 9 73 1 0 9 74 1 0 9 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 35106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 55138 1 0 57139 1 0 57140 1 0 57141 1 0 59142 1 0 59143 1 0 59144 1 0 M END