@MOLECULE 3-(2,4-difluorophenyl)-1-[4-(2,2-dimethylpropyl)benzyl]-1-heptylurea 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.1050 -0.7859 0.4017 F 1 UNL1111111111 -0.1613 2 F -4.1819 -5.3508 1.3336 F 1 UNL1111111111 -0.1645 3 O -0.1420 -1.9816 -1.9308 O.2 1 UNL1111111111 -0.5567 4 N -0.0095 0.3038 -1.8911 N.am 1 UNL1111111111 -0.4955 5 N -1.4604 -0.8813 -0.4106 N.am 1 UNL1111111111 -0.5731 6 C 5.7034 0.3641 1.9021 C.3 1 UNL1111111111 0.1438 7 C 6.0008 -0.0054 0.4232 C.3 1 UNL1111111111 -0.3242 8 C 4.7801 0.0457 -0.4402 C.ar 1 UNL1111111111 0.0392 9 C 5.1596 1.7965 1.9985 C.3 1 UNL1111111111 -0.4689 10 C 4.6854 -0.6128 2.5065 C.3 1 UNL1111111111 -0.4683 11 C 7.0225 0.2704 2.6899 C.3 1 UNL1111111111 -0.4698 12 C -1.4072 2.2505 -1.3342 C.3 1 UNL1111111111 -0.2975 13 C -1.8694 3.0308 -0.1012 C.3 1 UNL1111111111 -0.2741 14 C -0.0889 1.5061 -1.0432 C.3 1 UNL1111111111 -0.0828 15 C -3.2248 3.6985 -0.3665 C.3 1 UNL1111111111 -0.2701 16 C 1.1737 0.2267 -2.7720 C.3 1 UNL1111111111 -0.0733 17 C 2.4587 0.1587 -1.9903 C.ar 1 UNL1111111111 -0.0749 18 C -3.6928 4.4794 0.8677 C.3 1 UNL1111111111 -0.2722 19 C 4.4279 1.2287 -1.0945 C.ar 1 UNL1111111111 -0.1879 20 C 3.9830 -1.0920 -0.5985 C.ar 1 UNL1111111111 -0.1852 21 C 3.2699 1.2861 -1.8653 C.ar 1 UNL1111111111 -0.1515 22 C 2.8278 -1.0358 -1.3702 C.ar 1 UNL1111111111 -0.1294 23 C -5.0590 5.1300 0.6130 C.3 1 UNL1111111111 -0.2524 24 C -0.4944 -0.9287 -1.4325 C.2 1 UNL1111111111 0.7115 25 C -5.5340 5.8999 1.8452 C.3 1 UNL1111111111 -0.4400 26 C -2.1483 -2.0434 -0.0066 C.ar 1 UNL1111111111 0.1317 27 C -3.4876 -1.9575 0.4289 C.ar 1 UNL1111111111 0.1298 28 C -1.5241 -3.3009 0.0290 C.ar 1 UNL1111111111 -0.1190 29 C -4.1984 -3.0577 0.8942 C.ar 1 UNL1111111111 -0.2488 30 C -2.2118 -4.4233 0.4776 C.ar 1 UNL1111111111 -0.2085 31 C -3.5317 -4.2812 0.9024 C.ar 1 UNL1111111111 0.1881 32 H 6.4569 -1.0158 0.3883 H 1 UNL1111111111 0.1524 33 H 6.7817 0.6768 0.0312 H 1 UNL1111111111 0.1504 34 H 5.8521 2.5201 1.5581 H 1 UNL1111111111 0.1426 35 H 4.2010 1.8935 1.4755 H 1 UNL1111111111 0.1513 36 H 4.9936 2.0881 3.0407 H 1 UNL1111111111 0.1454 37 H 5.0322 -1.6485 2.4378 H 1 UNL1111111111 0.1444 38 H 4.5041 -0.3932 3.5636 H 1 UNL1111111111 0.1452 39 H 3.7198 -0.5518 1.9903 H 1 UNL1111111111 0.1535 40 H 7.4417 -0.7400 2.6521 H 1 UNL1111111111 0.1446 41 H 7.7756 0.9596 2.2955 H 1 UNL1111111111 0.1437 42 H 6.8699 0.5217 3.7449 H 1 UNL1111111111 0.1466 43 H -2.1937 1.5443 -1.6658 H 1 UNL1111111111 0.1552 44 H -1.2710 2.9308 -2.1960 H 1 UNL1111111111 0.1505 45 H -1.1179 3.7961 0.1703 H 1 UNL1111111111 0.1401 46 H -1.9503 2.3620 0.7768 H 1 UNL1111111111 0.1359 47 H 0.0053 1.2467 0.0351 H 1 UNL1111111111 0.1396 48 H 0.7758 2.1763 -1.2518 H 1 UNL1111111111 0.1520 49 H -3.1527 4.3747 -1.2383 H 1 UNL1111111111 0.1370 50 H -3.9779 2.9342 -0.6377 H 1 UNL1111111111 0.1412 51 H 1.0707 -0.6699 -3.4375 H 1 UNL1111111111 0.1815 52 H 1.1453 1.1124 -3.4485 H 1 UNL1111111111 0.1498 53 H -3.7546 3.8058 1.7430 H 1 UNL1111111111 0.1387 54 H -2.9499 5.2538 1.1334 H 1 UNL1111111111 0.1348 55 H 5.0581 2.1101 -0.9973 H 1 UNL1111111111 0.1524 56 H 4.2650 -2.0239 -0.1122 H 1 UNL1111111111 0.1562 57 H 3.0043 2.2131 -2.3689 H 1 UNL1111111111 0.1471 58 H 2.2027 -1.9252 -1.4889 H 1 UNL1111111111 0.1774 59 H -4.9986 5.8100 -0.2573 H 1 UNL1111111111 0.1329 60 H -5.8020 4.3559 0.3421 H 1 UNL1111111111 0.1367 61 H -5.6409 5.2400 2.7136 H 1 UNL1111111111 0.1434 62 H -6.5075 6.3703 1.6681 H 1 UNL1111111111 0.1414 63 H -4.8300 6.6934 2.1186 H 1 UNL1111111111 0.1416 64 H -1.8487 0.0140 -0.1306 H 1 UNL1111111111 0.3286 65 H -0.4858 -3.4026 -0.3065 H 1 UNL1111111111 0.2004 66 H -5.2314 -2.9666 1.2298 H 1 UNL1111111111 0.1922 67 H -1.7196 -5.3954 0.4936 H 1 UNL1111111111 0.1792 @BOND 1 1 27 1 2 2 31 1 3 3 24 2 4 4 14 1 5 4 16 1 6 4 24 am 7 5 24 am 8 5 26 1 9 5 64 1 10 6 7 1 11 6 9 1 12 6 10 1 13 6 11 1 14 7 8 1 15 7 32 1 16 7 33 1 17 8 19 ar 18 8 20 ar 19 9 34 1 20 9 35 1 21 9 36 1 22 10 37 1 23 10 38 1 24 10 39 1 25 11 40 1 26 11 41 1 27 11 42 1 28 12 13 1 29 12 14 1 30 12 43 1 31 12 44 1 32 13 15 1 33 13 45 1 34 13 46 1 35 14 47 1 36 14 48 1 37 15 18 1 38 15 49 1 39 15 50 1 40 16 17 1 41 16 51 1 42 16 52 1 43 17 21 ar 44 17 22 ar 45 18 23 1 46 18 53 1 47 18 54 1 48 19 21 ar 49 19 55 1 50 20 22 ar 51 20 56 1 52 21 57 1 53 22 58 1 54 23 25 1 55 23 59 1 56 23 60 1 57 25 61 1 58 25 62 1 59 25 63 1 60 26 27 ar 61 26 28 ar 62 27 29 ar 63 28 30 ar 64 28 65 1 65 29 31 ar 66 29 66 1 67 30 31 ar 68 30 67 1