HMDB0061459 RDKit 3D PC(MonoMe(13,5)/MonoMe(11,5)) 157158 0 0 0 0 0 0 0 0999 V2000 6.6943 -3.0750 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -1.8161 -3.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8207 -0.7949 -4.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8098 0.4998 -3.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.4610 -4.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 2.7733 -3.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 3.7977 -3.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 4.8342 -3.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 6.1691 -3.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 4.3637 -2.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 5.1790 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8137 4.4925 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 3.1942 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 3.2146 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 4.1015 2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7464 4.0602 3.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 4.5112 3.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 4.4078 4.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 4.8328 4.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 3.9820 2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 4.4356 2.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 3.6353 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 2.2022 1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 1.4673 1.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 1.5583 2.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 0.1917 2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -0.2815 2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8263 0.2201 3.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0524 -0.1946 5.0535 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 0.3904 6.5145 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8487 -0.4064 6.9936 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 2.0006 6.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 0.2886 7.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 -1.0259 8.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.1320 9.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -0.6701 8.7676 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.3402 0.1478 9.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -1.7486 8.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 0.1520 7.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9466 0.0435 1.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 -0.8615 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 -2.0514 0.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9639 -0.4172 -0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8948 -1.4143 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 -2.6807 -1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 -3.6542 -2.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 -4.0744 -2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 -4.8774 -1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 -5.3391 -1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 -4.4027 -1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 -3.2957 -2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 -3.5603 -3.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 -2.2422 -4.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6217 -1.4754 -5.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -0.4110 -5.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 0.6631 -6.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 0.4480 -7.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -0.8115 -8.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -0.9709 -9.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 0.2331 -10.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.4884 -4.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.6323 -4.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -2.1910 -3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 3.1562 -2.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 -3.7163 -4.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -2.8083 -5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6422 -3.6674 -4.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 -2.0630 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7555 -1.4347 -3.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -1.2208 -4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -0.6583 -5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 0.2543 -2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 0.8702 -3.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 1.6028 -5.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 1.0291 -4.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 3.8319 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 6.1663 -2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 6.9742 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 6.3181 -4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 5.4578 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0966 6.1253 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 5.2294 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 4.3407 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 2.4266 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 2.8352 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 2.1765 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 3.4893 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 5.1508 2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 3.6444 3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 2.9794 3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 4.5707 4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 3.7591 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 5.5407 2.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 5.1069 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 3.3916 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 5.9023 3.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 4.8156 4.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4163 2.9275 3.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 4.0899 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 5.5332 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 4.3085 3.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5561 4.0279 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 3.7611 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -0.0259 3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 -0.3739 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -1.3919 2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8561 -0.1360 4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8902 1.3440 3.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 2.5720 6.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 -1.4013 8.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 -1.6058 7.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -0.5549 10.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 -2.1873 9.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 0.1570 9.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6262 -0.3389 10.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 1.2004 9.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 -2.3008 7.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 -1.2629 8.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -2.3620 9.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 1.1752 7.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 0.1890 7.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 -0.3636 6.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0488 -0.2496 -0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5598 0.5534 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3221 -0.9698 -2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -1.6147 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7138 -2.4439 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4101 -3.2092 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0436 -4.5412 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7686 -3.1725 -3.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 -4.7185 -3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 -3.1950 -3.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -5.8228 -1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -4.3905 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 -6.0767 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -6.0407 -2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 -3.9481 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 -4.9815 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 -2.4222 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -2.7892 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 -4.1746 -3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -4.0944 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 1.6417 -6.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 0.7620 -6.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.4068 -7.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 1.3278 -8.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -0.8581 -8.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.6594 -7.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -1.8910 -10.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -0.9764 -9.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 1.0551 -10.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -0.0040 -11.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 0.5765 -10.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 0.2232 -4.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -3.2622 -3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -1.6322 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -2.0758 -3.7716 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 58 59 1 0 59 60 1 0 55 61 2 0 61 62 1 0 62 63 1 0 10 64 1 0 64 6 1 0 62 53 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 7 76 1 0 9 77 1 0 9 78 1 0 9 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 28107 1 0 28108 1 0 32109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 37114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 60153 1 0 61154 1 0 63155 1 0 63156 1 0 63157 1 0 M CHG 1 36 1 M END