HMDB0259906 RDKit 3D 1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-methyl-8-quinolinyl)- 62 63 0 0 0 0 0 0 0 0999 V2000 6.5764 2.2598 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 2.3778 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 1.5106 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 0.0858 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 -0.8827 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -0.8752 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -1.2120 -0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 -1.2516 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 -0.0352 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 1.1185 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 2.3705 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 -0.0204 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -1.1597 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -1.2131 -0.8088 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 -0.0508 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 0.7914 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 0.6661 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3609 1.8952 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3838 2.5051 1.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 2.8580 2.0664 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -2.3603 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -3.5000 -0.4511 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -4.6817 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -4.7709 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -3.6049 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -3.7406 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -2.4082 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 1.6113 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 1.7995 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 3.2661 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 3.4415 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 2.0458 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 1.7070 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 1.8610 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -0.1564 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 0.0122 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 -0.7430 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -1.9070 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -1.5854 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 0.1247 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 2.4712 -1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 3.1643 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.5512 -0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.9314 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 -2.1821 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4342 -0.4329 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8956 0.7711 -2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 1.8584 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 0.2916 -2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 -0.0593 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 0.8636 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9772 2.6544 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4015 1.5724 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 3.3030 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7175 1.6612 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 2.0695 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 3.4578 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 -5.6209 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 -5.7365 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 -3.1951 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -4.8403 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -3.7028 0.8550 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 2 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 13 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 8 1 0 27 21 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 11 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 23 58 1 0 24 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 M END