HMDB0061612 RDKit 3D PS(MonoMe(11,5)/MonoMe(11,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -0.2314 1.6574 6.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 1.8296 6.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 3.1338 7.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 3.4069 7.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 3.5364 6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 2.4221 5.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 1.3627 5.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 0.5282 4.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -0.7459 3.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 1.0935 3.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 0.5246 2.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -0.6204 2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -1.2973 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 -1.8646 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -2.8570 1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 -4.0426 1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -4.8797 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 -6.0618 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 -5.6453 2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 -4.8602 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 -5.7212 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -6.9740 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 -5.2694 -0.7776 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -6.1741 -1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -5.5636 -2.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 -5.1674 -2.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7272 -4.0961 -1.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2806 -3.7138 -0.8522 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.2779 -3.6324 -1.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7889 -4.8289 0.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2316 -2.1987 -0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -1.5472 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 -0.1824 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6562 0.3252 -0.5826 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 -0.2697 1.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 -0.6724 2.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 0.0778 2.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -4.5558 -3.4963 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -4.7706 -4.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 -5.9210 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H 0 0 0 0 0 0 0 0 0 0 0 0 2.3568 3.8671 -3.0942 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 2 0 7 8 1 0 8 9 1 0 8 10 2 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 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 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 53 59 2 0 59 60 1 0 60 61 1 0 10 62 1 0 62 6 1 0 60 51 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 7 74 1 0 9 75 1 0 9 76 1 0 9 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 26101 1 0 26102 1 0 30103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 34108 1 0 37109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 61142 1 0 61143 1 0 61144 1 0 M END