HMDB0284745 RDKit 3D PE(PGD1/DiMe(11,3)) 137138 0 0 0 0 0 0 0 0999 V2000 16.1040 3.4986 1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1802 2.6401 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5587 1.5617 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7357 0.5390 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4825 0.7113 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4233 1.4245 -1.0256 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7755 2.7293 -1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1419 1.1605 -1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 1.3741 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6883 1.0976 -2.0048 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0127 0.5054 -3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4071 1.1667 -4.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7933 -0.9503 -3.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.0982 -2.2065 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5328 -1.4700 -2.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 0.0897 -1.3399 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4955 0.6476 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 1.2348 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 1.7562 -1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 0.6903 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -0.3350 -1.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -1.3786 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 -0.8720 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.3306 -0.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.7780 -0.1146 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -1.3784 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -0.5761 1.7082 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3682 -1.4328 2.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 -2.5521 3.0635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -3.5548 4.1946 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3698 -3.5963 5.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -2.9392 4.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 -5.1277 3.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 -5.2256 2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -6.6084 1.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 -6.9423 1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 -0.1523 2.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 1.1530 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 2.0412 2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 1.5904 2.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 0.5046 3.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 -0.2889 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 0.3353 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 1.2935 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8292 1.9085 -1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2262 1.0936 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1834 0.0074 -2.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5941 0.1599 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0117 0.6043 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5332 0.6247 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3263 1.6625 -0.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5757 1.3546 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7261 2.3010 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3105 2.4726 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4755 3.4315 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6656 -0.0102 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8942 -0.8697 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3628 -0.4694 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9388 -1.8878 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4685 4.3522 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4708 3.8570 2.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9182 2.8624 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8256 2.3203 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4687 3.4426 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4604 1.0354 2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0811 2.0232 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4783 -0.2178 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4780 -0.0976 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7714 1.2533 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -0.2918 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2069 0.8902 -1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0729 3.3581 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1461 0.7754 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8749 1.7541 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1754 2.0853 -2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4581 -1.3861 -4.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7723 -1.4455 -3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 -1.9958 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 -1.9336 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3401 -0.2081 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 1.4686 -0.1673 H 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0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 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 52 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 16 10 1 0 58 50 2 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 6 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 6 13 76 1 0 13 77 1 0 14 78 1 1 15 79 1 0 16 80 1 1 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 6 28 96 1 0 28 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 59135 1 0 59136 1 0 59137 1 0 M END