@MOLECULE 1,3-bis[4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl]urea 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6623 -0.6724 0.3125 O.2 1 UNL1111111111 -0.4843 2 O 4.4808 -2.4922 -0.0537 O.2 1 UNL1111111111 -0.4683 3 O -3.5827 -1.8005 -1.3467 O.2 1 UNL1111111111 -0.4432 4 O 4.2296 -1.6590 2.6427 O.2 1 UNL1111111111 -0.4551 5 O 2.8350 2.3417 -0.8627 O.2 1 UNL1111111111 -0.5682 6 N -3.1551 0.8650 1.0240 N.am 1 UNL1111111111 -0.4886 7 N 2.2148 -2.4730 -0.1785 N.am 1 UNL1111111111 -0.4821 8 N -5.1906 -0.5522 -0.3543 N.am 1 UNL1111111111 -0.4958 9 N 2.2835 -0.6625 2.0408 N.am 1 UNL1111111111 -0.4925 10 N 0.7530 3.0586 -1.4539 N.am 1 UNL1111111111 -0.6350 11 N 1.9351 1.5886 -2.8581 N.am 1 UNL1111111111 -0.6051 12 C -4.4801 1.4627 0.8410 C.3 1 UNL1111111111 -0.0986 13 C 0.9857 -1.9074 0.3905 C.3 1 UNL1111111111 -0.0888 14 C -2.0902 1.7173 1.5720 C.3 1 UNL1111111111 -0.0600 15 C 2.2270 -2.7443 -1.6207 C.3 1 UNL1111111111 -0.0653 16 C -5.5284 0.3299 0.7671 C.3 1 UNL1111111111 -0.0937 17 C 1.2632 -0.5147 0.9954 C.3 1 UNL1111111111 -0.1165 18 C -1.4625 2.5999 0.4766 C.3 1 UNL1111111111 -0.2994 19 C 2.0813 -1.4691 -2.4790 C.3 1 UNL1111111111 -0.3030 20 C -0.0715 3.0768 0.8940 C.3 1 UNL1111111111 -0.3032 21 C 3.2219 -0.4849 -2.2182 C.3 1 UNL1111111111 -0.3143 22 C -2.7939 -0.2431 0.2830 C.2 1 UNL1111111111 0.5011 23 C 3.4201 -2.1950 0.4456 C.2 1 UNL1111111111 0.4855 24 C -3.8825 -0.9656 -0.5259 C.2 1 UNL1111111111 0.4816 25 C 3.3697 -1.4899 1.8114 C.2 1 UNL1111111111 0.4948 26 C -6.2754 -1.3703 -0.9155 C.3 1 UNL1111111111 -0.0443 27 C 2.4220 0.4346 3.0066 C.3 1 UNL1111111111 -0.0364 28 C 0.6193 3.8636 -0.2391 C.3 1 UNL1111111111 -0.0406 29 C 3.1368 0.7688 -3.0993 C.3 1 UNL1111111111 -0.0618 30 C -6.6998 -2.5017 0.0247 C.3 1 UNL1111111111 -0.4739 31 C 3.2064 1.6164 2.4292 C.3 1 UNL1111111111 -0.4890 32 C 1.9069 2.3100 -1.6506 C.2 1 UNL1111111111 0.7112 33 H -4.7093 2.1348 1.6981 H 1 UNL1111111111 0.1547 34 H -4.5136 2.0856 -0.0830 H 1 UNL1111111111 0.1478 35 H 0.1791 -1.8423 -0.3744 H 1 UNL1111111111 0.1754 36 H 0.6115 -2.6029 1.1799 H 1 UNL1111111111 0.1645 37 H -1.3166 1.0485 2.0270 H 1 UNL1111111111 0.1692 38 H -2.4993 2.3346 2.3985 H 1 UNL1111111111 0.1360 39 H 3.1797 -3.2705 -1.8752 H 1 UNL1111111111 0.1695 40 H 1.3984 -3.4528 -1.8479 H 1 UNL1111111111 0.1417 41 H -6.5423 0.7609 0.6104 H 1 UNL1111111111 0.1554 42 H -5.5577 -0.2358 1.7278 H 1 UNL1111111111 0.1502 43 H 0.3254 -0.1153 1.4445 H 1 UNL1111111111 0.1611 44 H 1.5842 0.2081 0.2113 H 1 UNL1111111111 0.1459 45 H -1.3863 2.0124 -0.4619 H 1 UNL1111111111 0.1573 46 H -2.1173 3.4583 0.2489 H 1 UNL1111111111 0.1338 47 H 2.0621 -1.7585 -3.5463 H 1 UNL1111111111 0.1405 48 H 1.1049 -0.9925 -2.2743 H 1 UNL1111111111 0.1367 49 H 0.5671 2.2110 1.1697 H 1 UNL1111111111 0.1637 50 H -0.1286 3.7102 1.7976 H 1 UNL1111111111 0.1414 51 H 4.2008 -0.9842 -2.3742 H 1 UNL1111111111 0.1683 52 H 3.2370 -0.1739 -1.1518 H 1 UNL1111111111 0.1655 53 H -5.9230 -1.7948 -1.8897 H 1 UNL1111111111 0.1706 54 H -7.1359 -0.7052 -1.1499 H 1 UNL1111111111 0.1370 55 H 2.9454 0.0332 3.9100 H 1 UNL1111111111 0.1631 56 H 1.4095 0.7523 3.3348 H 1 UNL1111111111 0.1238 57 H 0.0453 4.7846 -0.4806 H 1 UNL1111111111 0.1303 58 H 1.6340 4.1902 0.1026 H 1 UNL1111111111 0.1698 59 H 4.0359 1.4085 -2.9182 H 1 UNL1111111111 0.1649 60 H 3.1414 0.5002 -4.1789 H 1 UNL1111111111 0.1384 61 H -0.0111 3.0528 -2.0999 H 1 UNL1111111111 0.3096 62 H 1.0719 1.1756 -3.1838 H 1 UNL1111111111 0.2943 63 H -5.8577 -3.1736 0.2421 H 1 UNL1111111111 0.1665 64 H -7.0796 -2.1263 0.9797 H 1 UNL1111111111 0.1455 65 H -7.4891 -3.1120 -0.4302 H 1 UNL1111111111 0.1565 66 H 4.2530 1.3400 2.2362 H 1 UNL1111111111 0.1702 67 H 2.8012 1.9600 1.4671 H 1 UNL1111111111 0.1700 68 H 3.2120 2.4667 3.1153 H 1 UNL1111111111 0.1436 @BOND 1 1 22 2 2 2 23 2 3 3 24 2 4 4 25 2 5 5 32 2 6 6 12 1 7 6 14 1 8 6 22 am 9 7 13 1 10 7 15 1 11 7 23 am 12 8 16 1 13 8 24 am 14 8 26 1 15 9 17 1 16 9 25 am 17 9 27 1 18 10 28 1 19 10 32 am 20 10 61 1 21 11 29 1 22 11 32 am 23 11 62 1 24 12 16 1 25 12 33 1 26 12 34 1 27 13 17 1 28 13 35 1 29 13 36 1 30 14 18 1 31 14 37 1 32 14 38 1 33 15 19 1 34 15 39 1 35 15 40 1 36 16 41 1 37 16 42 1 38 17 43 1 39 17 44 1 40 18 20 1 41 18 45 1 42 18 46 1 43 19 21 1 44 19 47 1 45 19 48 1 46 20 28 1 47 20 49 1 48 20 50 1 49 21 29 1 50 21 51 1 51 21 52 1 52 22 24 1 53 23 25 1 54 26 30 1 55 26 53 1 56 26 54 1 57 27 31 1 58 27 55 1 59 27 56 1 60 28 57 1 61 28 58 1 62 29 59 1 63 29 60 1 64 30 63 1 65 30 64 1 66 30 65 1 67 31 66 1 68 31 67 1 69 31 68 1