HMDB0061457 RDKit 3D PC(MonoMe(13,5)/DiMe(9,5)) 154155 0 0 0 0 0 0 0 0999 V2000 -9.4563 -2.9854 -2.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4634 -2.0146 -1.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -1.6854 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8284 -0.7209 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4388 -1.2745 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3867 -2.5040 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6424 -3.7878 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4616 -4.5849 1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -6.0586 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1071 -3.7446 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7973 -4.1694 4.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -4.5331 4.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 -5.6040 3.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -5.9067 3.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 -6.9645 2.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6493 -7.2421 2.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -8.2457 1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -7.6711 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -6.3584 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 -6.2049 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 -4.7398 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.0539 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -2.6059 -1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 -2.2221 -0.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9025 -1.6998 -2.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -0.3515 -2.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 0.5444 -3.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.5320 -2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 1.3348 -3.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 1.5087 -3.3459 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6680 2.7316 -4.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 0.2047 -3.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6927 1.7921 -1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 3.0228 -1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 3.3365 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1074 4.6109 0.5051 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9110 5.5281 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 4.4182 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 5.2826 1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 1.8766 -3.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 2.7051 -4.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 2.1854 -5.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 4.1192 -4.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 4.6536 -2.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 3.9091 -1.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 4.4039 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 3.5428 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3331 3.9173 1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 3.2202 2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 3.3884 2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2989 3.1223 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7602 1.9677 0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 2.0548 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 1.0057 -1.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -0.3104 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 -0.8502 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4165 -1.1782 -1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 -0.0964 -2.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 3.3422 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1428 3.8814 -2.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 4.0152 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 5.4438 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 -2.4989 2.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1169 -2.4200 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1259 -3.4362 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9233 -3.7419 -2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4669 -2.4510 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5486 -1.0592 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 -2.5873 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8267 -1.1367 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 -0.4238 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8255 0.2331 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0633 -1.5335 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7239 -0.5145 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9312 -4.1554 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8736 -6.5568 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7255 -6.3798 2.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6816 -6.2817 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4454 -5.0452 4.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1052 -3.3739 4.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 -4.8980 5.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -3.6237 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 -5.2403 2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -6.5424 3.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -6.2839 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -4.9846 3.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 -6.6742 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 -7.8777 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 -7.8032 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -6.3451 2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -8.5603 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -9.1205 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -8.4097 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -7.7218 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -5.6305 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -5.9485 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -6.5988 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -6.6966 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 -4.1825 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 -4.5657 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -4.0878 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -4.5402 -2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -0.3809 -2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -0.0808 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 0.1829 -4.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -0.5430 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 0.8090 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 0.5231 -4.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 3.0552 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 3.8769 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7326 3.4144 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3301 2.5517 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 5.1106 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 5.7331 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 6.4981 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 5.0546 0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 3.3344 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 4.7072 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 5.2671 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 6.3695 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 4.9195 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6394 4.2400 -4.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 4.7700 -4.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 5.7231 -2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 4.6201 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 4.1163 -2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 2.8459 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 4.2045 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 5.4612 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 2.4781 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 3.4566 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 3.7954 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 5.0357 1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 2.0874 2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2216 3.4039 3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 2.8381 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0767 4.4740 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 0.9388 -2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 1.2989 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2115 -1.0764 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 -0.2844 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 -0.1996 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6851 -1.8094 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 -1.7567 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8589 -1.9618 -2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8793 0.9121 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 -0.0686 -3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -0.3270 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 3.9930 -3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7103 3.1276 -3.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 4.8769 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 5.7184 0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2005 5.6070 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8043 6.1346 -0.5709 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 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 59 61 1 0 61 62 1 0 10 63 1 0 63 6 1 0 61 51 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 0 28106 1 0 28107 1 0 32108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 37113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 39121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 58148 1 0 60149 1 0 60150 1 0 60151 1 0 62152 1 0 62153 1 0 62154 1 0 M CHG 1 36 1 M END