@MOLECULE 6-{4-[4-(phenylacetyl)-1-piperazinyl]phenyl}-4,5-dihydro-3(2h)-pyridazinone 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1423 -2.1326 1.2088 O.2 1 UNL1111111111 -0.5331 2 O 8.7847 0.8783 -0.1872 O.2 1 UNL1111111111 -0.5008 3 N -0.7196 -0.7373 -0.0524 N.pl3 1 UNL1111111111 -0.4369 4 N -3.4765 -1.7243 -0.2563 N.am 1 UNL1111111111 -0.4890 5 N 5.6853 -0.7219 -0.5706 N.2 1 UNL1111111111 -0.1784 6 N 7.0186 -0.4475 -0.5813 N.am 1 UNL1111111111 -0.4361 7 C -1.4301 -1.3333 1.0977 C.3 1 UNL1111111111 -0.1123 8 C -1.3672 -0.9918 -1.3508 C.3 1 UNL1111111111 -0.0976 9 C -2.5036 -2.3496 0.6503 C.3 1 UNL1111111111 -0.0995 10 C -2.8902 -0.7735 -1.2154 C.3 1 UNL1111111111 -0.0900 11 C 0.6774 -0.6877 -0.0060 C.ar 1 UNL1111111111 0.2561 12 C -4.7763 -1.5495 0.2080 C.2 1 UNL1111111111 0.5840 13 C -5.7351 -0.7091 -0.6134 C.3 1 UNL1111111111 -0.3780 14 C 1.3078 -0.3842 1.2223 C.ar 1 UNL1111111111 -0.2779 15 C 1.4689 -0.8104 -1.1646 C.ar 1 UNL1111111111 -0.3034 16 C 3.4538 -0.2634 0.1121 C.ar 1 UNL1111111111 -0.1191 17 C 2.6762 -0.1771 1.2721 C.ar 1 UNL1111111111 -0.0666 18 C 2.8390 -0.5973 -1.0986 C.ar 1 UNL1111111111 -0.0367 19 C 4.8919 0.0133 0.1561 C.2 1 UNL1111111111 0.1025 20 C -5.5129 0.7434 -0.3307 C.ar 1 UNL1111111111 0.0098 21 C 5.3737 1.1330 1.0408 C.3 1 UNL1111111111 -0.2953 22 C 6.6427 1.7656 0.4678 C.3 1 UNL1111111111 -0.3536 23 C -5.4904 1.1915 0.9929 C.ar 1 UNL1111111111 -0.1702 24 C -5.3209 1.6482 -1.3761 C.ar 1 UNL1111111111 -0.1819 25 C 7.5862 0.7339 -0.0954 C.2 1 UNL1111111111 0.5574 26 C -5.2564 2.5354 1.2685 C.ar 1 UNL1111111111 -0.1297 27 C -5.0881 2.9931 -1.0952 C.ar 1 UNL1111111111 -0.1332 28 C -5.0503 3.4371 0.2249 C.ar 1 UNL1111111111 -0.1551 29 H -1.9105 -0.4929 1.6543 H 1 UNL1111111111 0.1584 30 H -0.7273 -1.8336 1.8000 H 1 UNL1111111111 0.1489 31 H -1.1538 -2.0139 -1.7364 H 1 UNL1111111111 0.1405 32 H -0.9691 -0.2596 -2.0931 H 1 UNL1111111111 0.1548 33 H -3.0230 -2.7725 1.5456 H 1 UNL1111111111 0.1816 34 H -2.0393 -3.2126 0.1212 H 1 UNL1111111111 0.1512 35 H -3.3757 -0.9215 -2.2061 H 1 UNL1111111111 0.1451 36 H -3.0811 0.2805 -0.8974 H 1 UNL1111111111 0.1583 37 H -6.7791 -0.9922 -0.3302 H 1 UNL1111111111 0.1969 38 H -5.6558 -0.9516 -1.6913 H 1 UNL1111111111 0.1724 39 H 0.7183 -0.2803 2.1291 H 1 UNL1111111111 0.1636 40 H 1.0270 -1.0795 -2.1183 H 1 UNL1111111111 0.1592 41 H 3.1481 0.0545 2.2274 H 1 UNL1111111111 0.1498 42 H 3.4472 -0.6962 -2.0017 H 1 UNL1111111111 0.1647 43 H 5.5659 0.7297 2.0597 H 1 UNL1111111111 0.1676 44 H 4.5880 1.9062 1.1680 H 1 UNL1111111111 0.1695 45 H 6.3929 2.4879 -0.3416 H 1 UNL1111111111 0.1805 46 H 7.1688 2.3664 1.2400 H 1 UNL1111111111 0.1832 47 H -5.6544 0.4840 1.8080 H 1 UNL1111111111 0.1711 48 H -5.3546 1.3101 -2.4090 H 1 UNL1111111111 0.1509 49 H 7.5709 -1.1584 -1.0552 H 1 UNL1111111111 0.3450 50 H -5.2343 2.8822 2.3004 H 1 UNL1111111111 0.1529 51 H -4.9348 3.6978 -1.9103 H 1 UNL1111111111 0.1482 52 H -4.8630 4.4865 0.4417 H 1 UNL1111111111 0.1500 @BOND 1 1 12 2 2 2 25 2 3 3 7 1 4 3 8 1 5 3 11 1 6 4 9 1 7 4 10 1 8 4 12 am 9 5 6 1 10 5 19 2 11 6 25 am 12 6 49 1 13 7 9 1 14 7 29 1 15 7 30 1 16 8 10 1 17 8 31 1 18 8 32 1 19 9 33 1 20 9 34 1 21 10 35 1 22 10 36 1 23 11 14 ar 24 11 15 ar 25 12 13 1 26 13 20 1 27 13 37 1 28 13 38 1 29 14 17 ar 30 14 39 1 31 15 18 ar 32 15 40 1 33 16 17 ar 34 16 18 ar 35 16 19 1 36 17 41 1 37 18 42 1 38 19 21 1 39 20 23 ar 40 20 24 ar 41 21 22 1 42 21 43 1 43 21 44 1 44 22 25 1 45 22 45 1 46 22 46 1 47 23 26 ar 48 23 47 1 49 24 27 ar 50 24 48 1 51 26 28 ar 52 26 50 1 53 27 28 ar 54 27 51 1 55 28 52 1