HMDB0285093 RDKit 3D PE(PGD2/DiMe(9,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -11.8561 -6.2794 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4401 -6.7243 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4379 -5.6642 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7111 -4.3784 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6953 -3.3010 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0301 -2.0441 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4939 -1.4710 1.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0699 -0.3668 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7861 0.5805 2.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2352 1.9073 2.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9258 2.0206 1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7074 1.3594 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 1.6134 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0595 3.0543 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 3.2712 -0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 2.4836 -2.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 2.8454 -2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 3.7210 -3.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 2.2593 -2.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 2.6689 -2.6968 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2449 1.5930 -3.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 0.7107 -2.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 -0.3407 -2.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8475 -0.4165 -3.6697 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -1.3098 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0861 -0.8614 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 0.4291 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 0.9306 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.1831 2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3723 0.9871 1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2675 0.0457 2.3993 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5489 0.3294 3.8336 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4324 0.5535 4.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -1.0320 4.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 -1.9271 3.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 -2.8295 4.1561 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9617 -1.4083 2.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0571 -2.1244 1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -2.7662 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -3.4968 -0.3379 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4667 -3.9253 -1.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 -2.7238 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2851 -3.3948 -1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 -4.7568 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7571 -5.3539 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9818 -4.4344 -1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0826 3.4586 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 4.5675 -1.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 5.4952 -0.0649 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3328 5.2803 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 4.9043 0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0898 7.1291 -0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 7.5598 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 9.0378 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 9.7212 0.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1151 -0.1834 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0960 0.9563 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1104 -1.2251 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0399 -1.4839 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9570 -5.9674 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 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37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 37 31 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 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 6 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 6 32101 1 6 33102 1 0 34103 1 0 34104 1 0 37105 1 6 38106 1 0 39107 1 0 40108 1 1 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END