HMDB0061541 RDKit 3D PE(MonoMe(13,5)/MonoMe(13,5)) 153154 0 0 0 0 0 0 0 0999 V2000 5.2623 -1.7809 1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 -2.7088 2.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 -4.0238 1.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 -5.0074 2.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -6.2830 1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -6.0632 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 -5.7842 -0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 -5.6734 -1.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -5.3722 -3.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -5.8896 -1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -5.8868 -1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -4.5080 -2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 -4.7199 -2.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 -3.4117 -3.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -3.8061 -3.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8949 -2.9211 -4.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5133 -1.7253 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1446 -1.9391 -2.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2049 -2.0385 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -0.7320 -0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 0.2450 -1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 0.1246 -2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 1.4724 -3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 2.3783 -2.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 1.7286 -3.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 2.9835 -4.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 3.2964 -5.1824 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0200 2.3656 -6.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 2.9927 -7.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 2.1966 -8.6566 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2630 1.1658 -9.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 3.3673 -9.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 1.5461 -8.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 0.8442 -7.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 0.2895 -7.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -0.4584 -6.1132 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 3.3754 -4.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 4.5563 -4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 5.5251 -5.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 4.8777 -4.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 3.8088 -3.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 3.4393 -2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 2.3824 -1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 2.0281 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 1.4629 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 1.0930 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 2.2729 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.6784 3.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 2.7535 4.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 3.7300 3.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 3.1786 3.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 2.6494 4.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 3.4106 5.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 2.7419 6.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 3.2150 7.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6265 3.7989 8.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 2.8104 9.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 3.4339 10.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 4.6550 10.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 1.4746 6.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 1.4094 5.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 0.1680 4.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -6.1175 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -0.7450 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -1.8281 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 -1.9828 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 -2.8986 3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -2.3115 2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 -3.7694 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 -4.3863 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 -5.1672 3.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 -4.5500 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7176 -7.0105 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 -6.7781 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5663 -5.6672 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 -5.4966 -3.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -4.2803 -3.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 -5.9872 -4.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7952 -6.3625 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -6.5008 -2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -3.7821 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -4.1487 -3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5571 -5.2406 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8154 -5.3632 -3.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -2.7385 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -2.9815 -4.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 -4.4980 -3.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7131 -4.6157 -4.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 -2.5093 -5.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 -3.5511 -4.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 -1.4368 -4.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8173 -0.8958 -3.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7463 -2.8909 -2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9303 -1.1682 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 -2.8879 -1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9245 -2.3473 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6088 -0.1826 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 -0.9245 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 1.1498 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7674 0.7859 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.0916 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -0.5928 -3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 3.0628 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 3.7467 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 4.2958 -5.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 2.4581 -6.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.3545 -6.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 4.0567 -9.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 1.4813 -6.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 0.0334 -7.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 -0.4197 -8.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 1.1150 -7.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 -0.0892 -5.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 -0.4387 -5.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 5.2725 -4.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 5.8028 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 2.9001 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 4.1008 -3.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 4.3446 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 3.0967 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 1.4997 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 2.7872 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5455 1.3406 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 2.9704 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9763 2.1324 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 0.5280 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 0.3470 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 0.6813 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 2.7573 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 2.9632 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 0.9303 3.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 1.2492 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 3.3578 4.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 2.2554 5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 4.6017 4.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 4.2458 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 3.9604 3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 2.3217 2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 2.3477 7.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0981 3.9615 7.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 4.0720 9.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0887 4.7132 8.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 1.8886 9.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 2.4760 8.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 2.6924 10.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 3.6653 11.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 4.4691 9.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 5.4883 9.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 4.9821 10.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 0.6319 7.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 0.0906 4.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 -0.7021 5.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 0.0743 3.6271 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 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 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 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 54 60 2 0 60 61 1 0 61 62 1 0 10 63 1 0 63 6 1 0 61 52 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 7 75 1 0 9 76 1 0 9 77 1 0 9 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 26103 1 0 26104 1 0 27105 1 6 28106 1 0 28107 1 0 32108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 60150 1 0 62151 1 0 62152 1 0 62153 1 0 M END