HMDB0114735 RDKit 3D PE-NMe2(9M5/13D5) 150151 0 0 0 0 0 0 0 0999 V2000 -6.4766 2.8314 8.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4519 2.6787 9.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 1.2603 9.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0099 0.2764 10.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 -1.1465 10.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8715 -1.6102 9.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 -2.8550 8.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -2.9139 7.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 -4.0810 7.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 -1.7138 7.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -1.2974 5.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 -1.9545 4.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 -1.5613 3.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 -1.9651 2.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -1.5604 1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8332 -2.1100 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8869 -3.5555 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 -4.2285 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -4.1613 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 -4.7094 1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -3.4988 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7764 -3.4491 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 -4.8119 1.1116 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5963 -4.4382 2.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -3.8851 3.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 -3.3226 4.3192 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4518 -3.7217 3.9865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -3.9447 5.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 -1.6284 4.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -1.1221 5.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.3955 5.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 1.0026 4.6132 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 0.9030 4.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 2.3669 4.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 -5.3424 -0.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -6.4722 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 -7.2299 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 -6.8270 -2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -5.7847 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 -6.0443 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -5.0063 -5.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -3.6702 -4.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -2.5252 -5.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -1.2906 -5.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 0.0231 -5.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 0.3514 -7.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 1.7671 -7.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 2.0210 -7.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 3.5013 -8.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 4.3193 -6.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 5.0593 -6.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 5.6018 -5.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 6.5073 -4.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 7.9220 -4.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 8.6559 -5.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 10.0785 -5.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4666 10.9624 -6.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 5.1810 -4.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2572 5.5585 -3.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 4.3626 -5.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 3.6818 -5.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7242 -0.9862 7.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3869 2.2619 9.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6583 3.9079 8.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0464 2.3611 7.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 3.4109 9.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8944 2.9613 10.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 1.0114 9.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2367 1.2662 10.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5284 0.4766 11.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7843 0.2839 9.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 -1.2913 11.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4178 -1.7990 10.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -3.6309 9.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5561 -4.5603 7.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 -3.8212 6.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 -4.8368 6.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -1.7203 5.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -0.2008 5.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6986 -3.0451 4.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8005 -1.6811 5.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3778 -1.9681 2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6705 -0.4484 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -3.0359 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 -1.4036 3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -1.7351 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -0.4401 1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 -1.7314 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 -1.6286 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -4.1544 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7057 -3.7049 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 -5.3326 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.8575 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 -2.9382 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 -2.8585 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -5.3594 1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 -3.7085 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 -5.3442 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -3.7466 5.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -1.3744 5.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -1.5189 6.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 0.7785 6.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 0.7159 5.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 0.4234 3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 0.4329 5.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 1.9406 4.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 2.9470 3.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 2.4182 3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2204 2.8165 5.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 -7.8473 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -6.7803 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -4.7699 -2.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -5.9267 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 -7.0150 -4.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.1291 -4.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -5.0626 -5.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 -5.2005 -6.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.6477 -4.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 -3.4031 -3.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -2.7175 -6.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -2.6521 -6.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 -1.3346 -4.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -1.4067 -4.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 0.1625 -5.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 0.8233 -5.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 0.3067 -6.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 -0.3538 -7.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 2.0667 -8.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 2.4831 -6.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 1.6688 -6.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 1.4954 -8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 3.8247 -8.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 3.6075 -8.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 6.3673 -5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 6.1263 -3.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 8.4667 -4.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 8.0684 -3.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 8.1921 -6.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 8.7860 -6.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 9.9646 -4.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 10.4737 -4.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 11.8094 -6.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 11.4325 -6.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 10.4409 -7.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 6.3482 -3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 6.0311 -2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 4.6767 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 3.5505 -6.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 2.6849 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 4.2264 -4.7457 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 23 35 1 0 35 36 1 0 36 37 2 0 36 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 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 52 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 10 62 1 0 62 6 1 0 60 50 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 7 74 1 0 9 75 1 0 9 76 1 0 9 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 22 94 1 0 22 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 33104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 34109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 57144 1 0 59145 1 0 59146 1 0 59147 1 0 61148 1 0 61149 1 0 61150 1 0 M END