HMDB0261913 RDKit 3D PE(PGD1/20:0) 142142 0 0 0 0 0 0 0 0999 V2000 -9.5985 -4.4482 -3.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5291 -2.9133 -3.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1470 -2.4842 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0676 -3.1301 -4.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7124 -2.7168 -3.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5869 -3.3279 -4.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -2.8770 -3.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0773 -3.4172 -4.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 -2.9010 -5.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -3.4746 -6.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -3.1298 -5.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -1.6472 -5.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -1.3277 -5.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 -1.7420 -3.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -1.5494 -2.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -0.1859 -2.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 0.9371 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 1.1468 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 1.2443 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 0.0655 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -1.0979 0.4958 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8436 0.1243 2.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -1.0642 2.6532 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0120 -1.2368 4.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -1.2399 4.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -1.4317 5.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -1.6130 6.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -1.4463 5.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -1.0285 4.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 -1.8892 3.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 -1.4611 2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -0.0742 1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 0.2228 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 1.5378 0.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1525 1.7435 -0.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4563 0.5503 -1.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 2.2956 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 2.6167 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 2.7921 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 2.6751 1.2497 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8594 3.9433 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 4.6988 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 5.9511 0.2691 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1510 5.5519 -1.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 6.9263 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 7.4592 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 8.1946 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 8.7170 3.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 9.4609 4.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -1.0402 2.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -2.2883 3.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 -2.5371 3.2112 P 0 0 0 0 0 5 0 0 0 0 0 0 8.7421 -1.7167 2.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5096 -2.1121 4.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -4.1674 2.9389 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 -4.9333 2.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7211 -6.3500 2.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -7.2498 2.0946 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3388 -4.9110 -4.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 -4.7686 -2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6119 -4.7564 -3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6695 -2.5695 -4.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3495 -2.4954 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -1.3847 -3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9798 -2.8245 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1767 -4.2208 -4.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2234 -2.7897 -5.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -1.5880 -3.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6602 -3.0278 -2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7065 -4.4424 -4.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6727 -3.0899 -5.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 -1.7597 -3.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 -3.2924 -2.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 -3.1611 -3.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 -4.5313 -4.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -3.3106 -6.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 -1.8180 -5.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -3.0427 -7.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -4.5688 -6.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.5190 -6.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5376 -3.6638 -5.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.1863 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -1.2021 -6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 -0.3022 -5.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -1.9771 -5.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.1830 -3.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -2.8185 -3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -2.0993 -1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -2.2265 -3.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.1318 -3.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 -0.2756 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 1.8763 -2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 1.1214 -3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 0.3946 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 2.1113 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 2.0855 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 1.5740 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -1.9769 2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -0.3652 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 -2.1639 4.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 -0.7955 6.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -2.4805 6.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -1.0301 5.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 0.0206 4.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 -2.9431 3.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -1.9797 3.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 -2.1700 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 -1.5445 2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 -0.0373 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 0.6807 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1296 0.1151 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -0.5803 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.6165 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 2.5041 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 0.7422 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6532 3.2491 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1662 1.6355 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.4927 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 4.2220 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 4.4395 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 6.4053 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1331 4.6037 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 7.7400 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 6.4341 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 8.1432 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 6.6543 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 7.6471 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 9.1198 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 7.9142 4.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 9.4928 3.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 9.3329 5.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 8.9538 4.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 10.5210 4.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 -0.2598 3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -0.9858 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1620 -2.7852 5.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 -4.8717 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8227 -4.5545 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2689 -6.6692 3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 -6.3539 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8995 -7.3136 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -8.1718 1.7739 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 2 0 20 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 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 35 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 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 23 98 1 6 24 99 1 0 24100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 6 35114 1 6 36115 1 0 37116 1 0 37117 1 0 40118 1 1 41119 1 0 42120 1 0 43121 1 1 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 54136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 M END