HMDB0284848 RDKit 3D PE(DiMe(11,5)/PGD1) 143144 0 0 0 0 0 0 0 0999 V2000 17.0831 -0.0034 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5001 1.4253 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8447 2.3677 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3877 2.6129 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5486 1.4033 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0830 1.7164 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 1.4780 0.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 1.8793 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 1.6979 1.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0919 0.5542 1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2118 0.4029 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 1.3624 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 1.4726 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 0.2004 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6706 -0.4818 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 0.2679 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 -0.6115 -1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 -1.9211 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -1.7959 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 -0.7494 0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -2.9534 0.9784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 -3.1239 2.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 -2.9640 1.5674 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3955 -4.0472 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 -3.6885 -0.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 -4.8201 -1.8307 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8749 -4.0837 -3.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 -5.7470 -1.9357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 -5.8035 -1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 -5.3835 -2.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.3213 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 -7.6584 -2.4681 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -1.7455 0.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 -1.0290 1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1885 -1.5706 2.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0053 0.2310 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 0.6719 1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4887 -0.1051 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6626 -1.5235 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -2.1793 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1991 -2.0245 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1199 -0.9202 0.6407 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9775 0.1648 1.6184 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9717 -0.0495 2.5461 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9609 1.4829 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9885 1.1890 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7105 2.0091 -1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -0.2105 -0.6794 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.8483 -0.2778 -0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6513 0.7871 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0966 0.6348 -1.3465 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.5276 -0.6514 -1.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8920 1.6127 -0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5306 3.0293 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3620 3.9869 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0142 5.4185 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8589 6.3734 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.4182 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9426 3.0262 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 2.3266 -1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7958 2.7967 -2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5934 -0.3432 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0263 -0.6673 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5511 -0.3492 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6111 1.4544 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4312 1.8428 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4189 3.3339 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9637 1.9344 -1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0558 3.4671 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2719 3.0474 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7555 0.7356 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7113 0.8176 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4978 2.6864 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5107 1.5557 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7565 -0.3684 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4339 0.4308 2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 -0.6268 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8584 0.3704 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5446 0.9792 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 2.3883 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 1.8668 1.8790 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0 0 0 0 0 0 0 0 0 0 0 0 12.1881 2.2996 -3.4646 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 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 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 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 43 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 48 42 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 0 22 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 1 43118 1 1 44119 1 0 45120 1 0 45121 1 0 48122 1 6 49123 1 0 50124 1 0 51125 1 6 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M END