@MOLECULE n-{2-[4-(2-isopropoxyphenyl)-1-piperazinyl]ethyl}-2-(2-oxo-1-azepanyl)acetamide 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9558 1.6417 0.8737 O.3 1 UNL1111111111 -0.4013 2 O 5.1054 -1.6127 -0.7899 O.2 1 UNL1111111111 -0.5946 3 O 2.1866 -0.6551 2.3769 O.2 1 UNL1111111111 -0.5454 4 N -0.6783 -1.9609 -0.2693 N.3 1 UNL1111111111 -0.4174 5 N -3.2698 -0.7539 -0.3346 N.pl3 1 UNL1111111111 -0.4195 6 N 4.6538 0.2156 0.4272 N.am 1 UNL1111111111 -0.4933 7 N 2.8129 -2.2225 0.8470 N.am 1 UNL1111111111 -0.5852 8 C -0.9948 -0.7829 0.5773 C.3 1 UNL1111111111 -0.1307 9 C -1.4615 -1.8955 -1.5270 C.3 1 UNL1111111111 -0.1184 10 C -2.4985 -0.8175 0.9302 C.3 1 UNL1111111111 -0.0942 11 C -2.9707 -1.9333 -1.1743 C.3 1 UNL1111111111 -0.1056 12 C 0.7737 -2.0335 -0.5498 C.3 1 UNL1111111111 -0.1496 13 C -4.6291 -0.3959 -0.1986 C.ar 1 UNL1111111111 0.1368 14 C 1.4535 -2.7286 0.6625 C.3 1 UNL1111111111 -0.0702 15 C 5.7714 2.4361 0.4760 C.3 1 UNL1111111111 -0.2988 16 C 4.4434 1.6606 0.5449 C.3 1 UNL1111111111 -0.0533 17 C 6.2316 2.6577 -0.9682 C.3 1 UNL1111111111 -0.2688 18 C 6.5956 1.3492 -1.6813 C.3 1 UNL1111111111 -0.2522 19 C 5.3755 0.4610 -1.9453 C.3 1 UNL1111111111 -0.3465 20 C 4.4767 -0.5956 1.6289 C.3 1 UNL1111111111 -0.1579 21 C 5.0470 -0.3926 -0.7448 C.2 1 UNL1111111111 0.6002 22 C -4.9491 0.8893 0.3083 C.ar 1 UNL1111111111 0.1573 23 C 3.0376 -1.1396 1.6595 C.2 1 UNL1111111111 0.5593 24 C -5.6883 -1.1956 -0.6478 C.ar 1 UNL1111111111 -0.2422 25 C -6.2577 1.3543 0.3481 C.ar 1 UNL1111111111 -0.1917 26 C -7.0006 -0.7242 -0.6155 C.ar 1 UNL1111111111 -0.1292 27 C -7.2901 0.5426 -0.1222 C.ar 1 UNL1111111111 -0.1742 28 C -3.5249 2.7726 0.0979 C.3 1 UNL1111111111 0.1806 29 C -2.3599 3.3069 0.9315 C.3 1 UNL1111111111 -0.4681 30 C -3.0898 2.3510 -1.2993 C.3 1 UNL1111111111 -0.5086 31 H -0.7468 0.1809 0.0842 H 1 UNL1111111111 0.1239 32 H -0.3887 -0.8358 1.5109 H 1 UNL1111111111 0.1626 33 H -1.2137 -2.7813 -2.1484 H 1 UNL1111111111 0.1351 34 H -1.2422 -0.9863 -2.1258 H 1 UNL1111111111 0.1231 35 H -2.7472 0.0539 1.5753 H 1 UNL1111111111 0.1676 36 H -2.7344 -1.7388 1.5065 H 1 UNL1111111111 0.1348 37 H -3.2103 -2.8914 -0.6630 H 1 UNL1111111111 0.1368 38 H -3.5637 -1.8814 -2.1116 H 1 UNL1111111111 0.1368 39 H 1.2307 -1.0376 -0.7290 H 1 UNL1111111111 0.1273 40 H 0.9547 -2.6317 -1.4660 H 1 UNL1111111111 0.1357 41 H 0.8565 -2.5619 1.5930 H 1 UNL1111111111 0.1803 42 H 1.4905 -3.8280 0.5090 H 1 UNL1111111111 0.1441 43 H 5.6505 3.4137 0.9809 H 1 UNL1111111111 0.1428 44 H 6.5526 1.8990 1.0481 H 1 UNL1111111111 0.1546 45 H 3.7519 1.9994 -0.2611 H 1 UNL1111111111 0.1423 46 H 3.9183 1.8778 1.5051 H 1 UNL1111111111 0.1554 47 H 5.4513 3.1963 -1.5390 H 1 UNL1111111111 0.1391 48 H 7.1130 3.3296 -0.9712 H 1 UNL1111111111 0.1377 49 H 7.0899 1.5846 -2.6454 H 1 UNL1111111111 0.1413 50 H 7.3522 0.7921 -1.0935 H 1 UNL1111111111 0.1506 51 H 4.4995 1.0658 -2.2504 H 1 UNL1111111111 0.1660 52 H 5.5804 -0.2190 -2.8032 H 1 UNL1111111111 0.1777 53 H 5.2137 -1.4356 1.6453 H 1 UNL1111111111 0.1787 54 H 4.6593 0.0077 2.5466 H 1 UNL1111111111 0.1703 55 H 3.5219 -2.5016 0.1709 H 1 UNL1111111111 0.3400 56 H -5.4998 -2.1991 -1.0193 H 1 UNL1111111111 0.1568 57 H -6.4659 2.3431 0.7493 H 1 UNL1111111111 0.1610 58 H -7.8051 -1.3623 -0.9770 H 1 UNL1111111111 0.1474 59 H -8.3154 0.9014 -0.0970 H 1 UNL1111111111 0.1502 60 H -4.3727 3.4909 0.0636 H 1 UNL1111111111 0.1114 61 H -2.6737 3.4964 1.9660 H 1 UNL1111111111 0.1588 62 H -1.9697 4.2383 0.5135 H 1 UNL1111111111 0.1456 63 H -1.5400 2.5781 0.9744 H 1 UNL1111111111 0.1614 64 H -3.9475 2.0693 -1.9212 H 1 UNL1111111111 0.1554 65 H -2.5414 3.1436 -1.8129 H 1 UNL1111111111 0.1479 66 H -2.4435 1.4593 -1.2498 H 1 UNL1111111111 0.1822 @BOND 1 1 22 1 2 1 28 1 3 2 21 2 4 3 23 2 5 4 8 1 6 4 9 1 7 4 12 1 8 5 10 1 9 5 11 1 10 5 13 1 11 6 16 1 12 6 20 1 13 6 21 am 14 7 14 1 15 7 23 am 16 7 55 1 17 8 10 1 18 8 31 1 19 8 32 1 20 9 11 1 21 9 33 1 22 9 34 1 23 10 35 1 24 10 36 1 25 11 37 1 26 11 38 1 27 12 14 1 28 12 39 1 29 12 40 1 30 13 22 ar 31 13 24 ar 32 14 41 1 33 14 42 1 34 15 16 1 35 15 17 1 36 15 43 1 37 15 44 1 38 16 45 1 39 16 46 1 40 17 18 1 41 17 47 1 42 17 48 1 43 18 19 1 44 18 49 1 45 18 50 1 46 19 21 1 47 19 51 1 48 19 52 1 49 20 23 1 50 20 53 1 51 20 54 1 52 22 25 ar 53 24 26 ar 54 24 56 1 55 25 27 ar 56 25 57 1 57 26 27 ar 58 26 58 1 59 27 59 1 60 28 29 1 61 28 30 1 62 28 60 1 63 29 61 1 64 29 62 1 65 29 63 1 66 30 64 1 67 30 65 1 68 30 66 1