@MOLECULE (6s)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydro-7-quinolinyloxy)methyl]-2-piperazinone 76 80 0 0 0 SMALL GASTEIGER @ATOM 1 C 11.0370 -0.4731 -1.7654 C.3 1 UNL1111111111 -0.1964 2 O 9.7386 -0.5078 -1.1910 O.3 1 UNL1111111111 -0.3320 3 C 9.4787 0.3766 -0.1875 C.ar 1 UNL1111111111 0.2240 4 C 8.1408 0.3274 0.2496 C.ar 1 UNL1111111111 -0.1195 5 C 7.1946 -0.6268 -0.4070 C.3 1 UNL1111111111 -0.0326 6 O 5.8877 -0.1935 -0.0435 O.3 1 UNL1111111111 -0.3954 7 C 10.4025 1.2444 0.3866 C.ar 1 UNL1111111111 -0.2915 8 C 9.9806 2.0803 1.4224 C.ar 1 UNL1111111111 -0.0855 9 C 8.6646 2.0439 1.8692 C.ar 1 UNL1111111111 -0.2176 10 C 7.7470 1.1671 1.2829 C.ar 1 UNL1111111111 -0.0753 11 C -4.9090 1.0284 -0.8193 C.ar 1 UNL1111111111 0.3211 12 C -5.6375 1.7587 0.1237 C.ar 1 UNL1111111111 -0.3980 13 C -5.3960 3.1369 0.2384 C.ar 1 UNL1111111111 0.2936 14 C -4.4555 3.7630 -0.6174 C.ar 1 UNL1111111111 -0.1842 15 C -3.7500 2.9952 -1.5329 C.ar 1 UNL1111111111 -0.0380 16 C -3.9621 1.6214 -1.6529 C.ar 1 UNL1111111111 -0.3707 17 C -4.6712 -2.5599 -0.9767 C.3 1 UNL1111111111 0.0823 18 C -6.1617 -2.7832 -0.6138 C.3 1 UNL1111111111 -0.1402 19 N -6.2586 -4.1385 -0.0361 N.3 1 UNL1111111111 -0.5297 20 C -5.5816 -4.1937 1.2729 C.3 1 UNL1111111111 -0.1965 21 C -4.1792 -3.5943 1.2363 C.2 1 UNL1111111111 0.5837 22 N -3.8581 -2.6795 0.2462 N.am 1 UNL1111111111 -0.4968 23 O -3.3847 -3.8561 2.1155 O.2 1 UNL1111111111 -0.5246 24 C -4.5069 -1.1774 -1.6432 C.3 1 UNL1111111111 -0.0850 25 O -5.2554 -0.2865 -0.8229 O.3 1 UNL1111111111 -0.3392 26 C -2.2643 -0.8775 0.6472 C.ar 1 UNL1111111111 -0.0890 27 C -2.5152 -2.1823 0.1913 C.ar 1 UNL1111111111 0.0979 28 C -1.4814 -2.9852 -0.2926 C.ar 1 UNL1111111111 -0.1069 29 C -0.1817 -2.4852 -0.3452 C.ar 1 UNL1111111111 -0.2980 30 C 0.0565 -1.1854 0.1009 C.ar 1 UNL1111111111 0.2538 31 C -0.9772 -0.3707 0.5965 C.ar 1 UNL1111111111 -0.2390 32 O 1.2637 -0.5635 0.1037 O.3 1 UNL1111111111 -0.3341 33 C 2.3964 -1.3418 -0.2954 C.3 1 UNL1111111111 -0.0455 34 C 3.5751 -0.4017 -0.0548 C.3 1 UNL1111111111 -0.3157 35 C 4.8731 -1.0699 -0.5154 C.3 1 UNL1111111111 -0.0354 36 C -5.5109 5.9286 -0.0102 C.3 1 UNL1111111111 -0.3006 37 C -5.8865 5.2943 1.3378 C.3 1 UNL1111111111 -0.0702 38 N -6.0547 3.8366 1.2424 N.pl3 1 UNL1111111111 -0.5309 39 C -4.2472 5.2417 -0.5446 C.3 1 UNL1111111111 -0.2461 40 H 11.2381 0.5034 -2.2173 H 1 UNL1111111111 0.1348 41 H 11.7985 -0.7370 -1.0249 H 1 UNL1111111111 0.1339 42 H 10.9688 -1.2494 -2.5397 H 1 UNL1111111111 0.1510 43 H 7.2892 -0.6025 -1.5114 H 1 UNL1111111111 0.1359 44 H 7.3622 -1.6621 -0.0492 H 1 UNL1111111111 0.1314 45 H 11.4311 1.2815 0.0480 H 1 UNL1111111111 0.1603 46 H 10.6929 2.7647 1.8813 H 1 UNL1111111111 0.1471 47 H 8.3423 2.6976 2.6755 H 1 UNL1111111111 0.1564 48 H 6.7126 1.1436 1.6352 H 1 UNL1111111111 0.1730 49 H -6.3554 1.2551 0.7598 H 1 UNL1111111111 0.1766 50 H -3.0155 3.4741 -2.1822 H 1 UNL1111111111 0.1455 51 H -3.4014 1.0521 -2.3815 H 1 UNL1111111111 0.1649 52 H -4.3449 -3.3511 -1.7080 H 1 UNL1111111111 0.1485 53 H -6.5161 -1.9814 0.0723 H 1 UNL1111111111 0.1520 54 H -6.7841 -2.7312 -1.5308 H 1 UNL1111111111 0.1471 55 H -7.2275 -4.4420 0.0447 H 1 UNL1111111111 0.2615 56 H -6.1421 -3.6871 2.0922 H 1 UNL1111111111 0.1485 57 H -5.4868 -5.2704 1.5605 H 1 UNL1111111111 0.1781 58 H -3.4443 -0.8817 -1.7120 H 1 UNL1111111111 0.1549 59 H -4.9608 -1.1592 -2.6495 H 1 UNL1111111111 0.1352 60 H -3.0890 -0.2740 1.0363 H 1 UNL1111111111 0.1808 61 H -1.6875 -4.0052 -0.6146 H 1 UNL1111111111 0.1600 62 H 0.6166 -3.1155 -0.7187 H 1 UNL1111111111 0.1604 63 H -0.7526 0.6378 0.9380 H 1 UNL1111111111 0.1791 64 H 2.2864 -1.6132 -1.3595 H 1 UNL1111111111 0.1243 65 H 2.4570 -2.2515 0.3288 H 1 UNL1111111111 0.1329 66 H 3.6452 -0.1286 1.0188 H 1 UNL1111111111 0.1734 67 H 3.4250 0.5616 -0.5820 H 1 UNL1111111111 0.1674 68 H 4.9304 -1.1500 -1.6148 H 1 UNL1111111111 0.1157 69 H 5.0104 -2.0677 -0.0617 H 1 UNL1111111111 0.1173 70 H -5.3472 7.0134 0.1084 H 1 UNL1111111111 0.1419 71 H -6.3391 5.8166 -0.7350 H 1 UNL1111111111 0.1491 72 H -5.0759 5.4876 2.0824 H 1 UNL1111111111 0.1474 73 H -6.8144 5.7505 1.7425 H 1 UNL1111111111 0.1280 74 H -6.9421 3.4747 1.5556 H 1 UNL1111111111 0.2978 75 H -3.3817 5.4683 0.1133 H 1 UNL1111111111 0.1495 76 H -3.9844 5.6543 -1.5386 H 1 UNL1111111111 0.1425 @BOND 1 1 2 1 2 1 40 1 3 1 41 1 4 1 42 1 5 2 3 1 6 3 4 ar 7 3 7 ar 8 4 5 1 9 4 10 ar 10 5 6 1 11 5 43 1 12 5 44 1 13 6 35 1 14 7 8 ar 15 7 45 1 16 8 9 ar 17 8 46 1 18 9 10 ar 19 9 47 1 20 10 48 1 21 11 12 ar 22 11 16 ar 23 11 25 1 24 12 13 ar 25 12 49 1 26 13 14 ar 27 13 38 1 28 14 15 ar 29 14 39 1 30 15 16 ar 31 15 50 1 32 16 51 1 33 17 18 1 34 17 22 1 35 17 24 1 36 17 52 1 37 18 19 1 38 18 53 1 39 18 54 1 40 19 20 1 41 19 55 1 42 20 21 1 43 20 56 1 44 20 57 1 45 21 22 am 46 21 23 2 47 22 27 1 48 24 25 1 49 24 58 1 50 24 59 1 51 26 27 ar 52 26 31 ar 53 26 60 1 54 27 28 ar 55 28 29 ar 56 28 61 1 57 29 30 ar 58 29 62 1 59 30 31 ar 60 30 32 1 61 31 63 1 62 32 33 1 63 33 34 1 64 33 64 1 65 33 65 1 66 34 35 1 67 34 66 1 68 34 67 1 69 35 68 1 70 35 69 1 71 36 37 1 72 36 39 1 73 36 70 1 74 36 71 1 75 37 38 1 76 37 72 1 77 37 73 1 78 38 74 1 79 39 75 1 80 39 76 1