HMDB0114691 RDKit 3D PE-NMe2(11M5/13D5) 156157 0 0 0 0 0 0 0 0999 V2000 -3.5529 -7.2739 6.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -6.6547 7.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -6.5461 7.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -5.6864 6.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -5.5000 5.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 -4.6207 4.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -5.0739 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -3.9616 2.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -4.0304 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 -2.8750 3.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 -1.4300 3.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -0.8484 2.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 0.6494 2.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 1.3017 2.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 2.7624 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 3.5019 1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 3.3837 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 4.3355 -1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 4.4359 -2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 3.3194 -3.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 2.8581 -4.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 3.2772 -5.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6081 1.9896 -3.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 1.4838 -4.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 0.6529 -5.5610 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2890 0.2859 -6.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.3981 -6.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 1.0399 -7.6289 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3573 -0.4249 -8.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 1.9374 -9.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 1.2769 -6.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 2.2645 -5.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 2.3697 -5.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 3.3735 -3.9852 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8461 4.6779 -4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 3.2608 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -0.4890 -5.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -0.5705 -5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 0.5109 -6.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 -1.6169 -5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 -2.7801 -4.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 -2.9915 -3.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 -2.8131 -1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -1.7301 -1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 -0.9337 -1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 -0.0126 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 0.8572 -0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 0.0676 -1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4839 0.9390 -1.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 1.9750 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8679 1.7516 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 1.1873 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 1.9720 2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 1.2845 3.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 1.8597 4.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 1.8737 5.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 2.5121 6.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1363 3.9284 6.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 4.8066 5.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -0.0387 3.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -1.2375 4.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3121 -0.0875 1.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 -1.3566 1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 -3.3319 4.6382 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -6.5294 5.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0053 -8.1265 5.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 -7.6453 6.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 -7.2181 8.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 -5.6300 7.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 -6.0317 8.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -7.5380 7.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -4.7173 6.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -6.2452 5.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -6.4768 5.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8317 -5.0034 6.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -6.0897 3.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 -4.2207 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 -3.1292 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1244 -4.8937 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -0.8494 3.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -1.2149 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 -1.3304 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -0.9431 3.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 1.0229 3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 0.9627 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 0.7826 1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 1.0563 3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 3.1282 3.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2235 3.1575 2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 4.6020 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 3.3022 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 3.7908 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 2.3782 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6916 4.0838 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 5.3289 -0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 5.2882 -2.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.9243 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 3.5453 -3.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 2.4451 -2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 0.7974 -3.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.2735 -4.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 1.3281 -6.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 -0.4129 -5.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.2551 -7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 2.7755 -8.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 1.9355 -4.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4165 3.2608 -6.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2945 1.4070 -4.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7576 2.6906 -5.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 4.7879 -5.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3353 5.4070 -3.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7992 5.0062 -4.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 3.5715 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9063 3.9552 -3.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 2.2425 -3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 -1.0501 -5.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 -1.9728 -6.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 -3.4238 -4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -3.5326 -4.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -4.1256 -2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 -2.5027 -2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 -3.4442 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -3.6732 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -0.9337 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 -2.0647 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -0.2693 -2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -1.5242 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 0.5846 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8671 -0.7281 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 1.6622 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 1.3820 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -0.5522 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -0.6746 -2.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 1.4270 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3165 0.2083 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 2.6912 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 2.7479 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 2.7793 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 1.1896 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 2.8671 5.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 1.2784 5.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 0.8385 5.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 2.3700 4.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 2.5513 6.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 1.9394 7.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 3.9857 6.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 4.3457 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 4.3449 4.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 5.7829 5.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 5.0134 4.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 -2.0089 3.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 -1.5957 4.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 -1.0657 4.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3517 -1.9164 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6381 -1.9963 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -1.1647 0.2253 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 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 54 60 2 0 60 61 1 0 60 62 1 0 62 63 1 0 10 64 1 0 64 6 1 0 62 52 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 7 76 1 0 9 77 1 0 9 78 1 0 9 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 24100 1 0 24101 1 0 25102 1 6 26103 1 0 26104 1 0 30105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 35110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 36115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 59150 1 0 61151 1 0 61152 1 0 61153 1 0 63154 1 0 63155 1 0 63156 1 0 M END