HMDB0009724 RDKit 3D PE(24:0/20:0) 157156 0 0 0 0 0 0 0 0999 V2000 18.0860 3.6747 -3.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1763 3.4202 -1.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3131 1.9710 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4170 1.6976 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6022 0.2437 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7335 -0.0531 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2725 0.1305 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7723 -0.8424 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2707 -0.6051 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 -1.6229 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 -1.5426 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7920 -0.4139 -2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9385 0.9760 -1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4660 1.4577 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 1.3049 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7712 1.9560 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 1.9287 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 0.5437 1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 0.5225 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 0.8430 1.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 2.0928 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 2.5049 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 1.6327 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 0.3866 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 -0.6304 -1.1857 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 0.3152 0.8151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -0.6591 1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 -0.9896 1.1466 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2577 -1.9131 2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 -3.1703 2.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 -4.1282 3.4148 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9068 -3.9510 3.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -3.5482 4.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 -5.7162 3.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 -6.4166 4.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5483 -7.8590 4.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -8.5106 5.6511 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -1.5417 -0.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -0.9028 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 0.1719 -0.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -1.5279 -2.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 -2.3461 -2.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -1.4095 -2.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6428 -2.1009 -1.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7719 -1.1203 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0285 -0.1015 -2.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9292 1.0248 -2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3346 0.8130 -2.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5338 0.2811 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9267 0.1228 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7721 1.2892 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1489 2.2319 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8642 1.5599 -2.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1096 0.8555 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0966 1.7873 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3506 1.0046 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3177 1.9280 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7335 2.5613 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8115 3.4457 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0101 3.0752 -2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3452 4.7662 -3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5543 3.4005 -3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1025 3.6078 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4229 4.0472 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3645 1.7421 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0036 1.3156 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3716 1.8999 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6666 2.3689 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3901 -0.3741 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6548 0.1102 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8957 -1.1110 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0376 0.6240 2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7192 -0.0902 2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0143 1.1782 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8694 -1.8716 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 -0.6556 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 0.4442 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 -0.7777 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0336 -2.6545 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 -1.5806 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1029 -2.4808 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 -1.7681 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -0.6062 -2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2746 -0.4781 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9325 1.4343 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2693 1.5736 -2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6148 2.5829 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0443 1.1199 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4471 1.9314 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 0.2628 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 3.0163 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3634 1.3975 1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 2.4519 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 2.6053 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 0.0291 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 -0.0940 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 -0.5607 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 1.0711 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 -0.0626 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 0.9170 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 2.0871 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 2.9327 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 3.5380 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 2.7538 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 2.1816 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 1.3119 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -1.6378 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.3496 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -0.0408 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -1.4231 3.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 -2.0003 2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -2.9521 4.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -5.9331 5.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -6.3049 4.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -8.4343 3.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -7.8856 4.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 -8.2325 6.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 -9.5290 5.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -2.2625 -2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 -0.7889 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 -3.1695 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 -2.7556 -3.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0923 -0.9694 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 -0.5977 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6141 -2.8179 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9485 -2.6539 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6738 -1.8407 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6643 -0.8086 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0014 0.3495 -2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 -0.5838 -3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9894 1.5520 -3.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4575 1.8588 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9792 1.6790 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7952 -0.0063 -2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9541 0.9313 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0315 -0.7021 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9064 -0.4642 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4691 -0.5907 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7256 0.9054 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2853 1.8703 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9163 2.9672 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3788 2.9360 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1433 2.3113 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1735 0.7871 -2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5957 0.4003 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8691 -0.0028 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3430 2.5924 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6621 2.1555 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7833 0.4816 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0732 0.2108 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2462 1.3848 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5979 2.7329 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4101 1.8321 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9004 3.2722 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0763 4.2545 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4663 3.8221 2.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6864 2.7816 2.0345 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 1 0 18 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 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 22103 1 0 22104 1 0 23105 1 0 23106 1 0 27107 1 0 27108 1 0 28109 1 6 29110 1 0 29111 1 0 33112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 59157 1 0 M END