HMDB0036405 RDKit 3D 7-Epizucchini factor A 109115 0 0 0 0 0 0 0 0999 V2000 6.1542 1.8654 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.6441 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 -0.0279 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 -0.3944 0.7644 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -1.0310 1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8052 -1.3201 2.7277 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4577 -1.3457 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7877 -1.0096 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -1.2905 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9751 -1.9357 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6683 -2.2797 1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4274 -1.9927 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -0.2029 -1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -0.4789 -1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9179 -0.8658 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3983 -2.2128 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 -1.1313 -1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -1.1063 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -0.1822 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.9910 1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 0.5498 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2194 1.3289 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 1.9209 -1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 1.8334 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 0.8808 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 1.7098 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 0.1638 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 1.1784 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 1.6029 -0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 2.8170 -1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2366 0.5078 -1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -0.5824 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8632 -0.1253 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2063 -0.4394 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0371 -1.2832 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6295 -1.8271 1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3796 -1.5583 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8431 -0.9736 -1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1170 -1.2022 -1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9797 -2.0479 -1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2845 -2.3232 -1.6094 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5213 -2.6530 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2475 -2.4074 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 1.3222 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 1.5019 1.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7752 2.0447 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 1.9065 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7098 1.6721 1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8474 0.4180 1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 0.4571 2.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 2.4394 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 2.4703 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1578 1.5470 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 -0.8098 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0378 0.7870 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 -0.4996 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2808 -1.0270 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9604 -2.1778 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -2.7813 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1846 -2.2636 2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8465 -1.1517 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 0.2308 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 -1.4151 -2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 0.2894 -2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 -2.6096 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 -2.1021 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 -2.9947 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5865 -0.4952 -2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -2.1748 -2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 -2.1517 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4194 -0.8238 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 -1.9027 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -1.4722 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -0.4855 2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 2.9796 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 1.3705 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 2.8718 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.7155 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 2.2212 1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 1.2184 2.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.5755 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -0.3862 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 2.0142 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 1.5860 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 2.4753 -2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 3.7157 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 3.0373 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4084 0.0753 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 0.8833 -2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -1.2225 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 -1.2362 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -0.7024 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1775 -0.2989 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4809 -0.7315 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5179 -2.2492 -2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0465 -2.6044 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1553 -3.3226 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8601 -2.8609 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1281 2.4977 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 0.6503 2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4748 1.4642 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 2.1020 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4796 3.1045 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0017 1.4981 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 3.0285 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 2.5115 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 1.6358 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 -0.5126 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 1.3656 3.2159 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 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 22 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 2 0 33 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 28 2 1 0 47 29 1 0 12 7 1 0 27 15 1 0 43 37 1 0 25 19 1 0 49 21 1 0 1 51 1 0 1 52 1 0 1 53 1 0 3 54 1 0 3 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 16 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 20 72 1 0 20 73 1 0 20 74 1 0 23 75 1 0 23 76 1 0 24 77 1 0 24 78 1 0 26 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 30 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 38 93 1 0 39 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 43 98 1 0 45 99 1 0 45100 1 0 45101 1 0 46102 1 0 46103 1 0 46104 1 0 47105 1 0 48106 1 0 48107 1 0 49108 1 0 50109 1 0 M END