@MOLECULE {(4s,5r)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl}{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone 97 101 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.6592 -0.1096 0.9353 N.am 1 UNL1111111111 -0.5945 2 C -0.7720 -1.0836 1.6560 C.3 1 UNL1111111111 0.2045 3 C -0.7530 -0.6398 3.1220 C.3 1 UNL1111111111 -0.4630 4 C 0.6107 -1.1745 1.0533 C.ar 1 UNL1111111111 -0.0737 5 C -1.5977 -2.4890 1.4972 C.3 1 UNL1111111111 0.2029 6 C -2.0064 -3.1326 2.8262 C.3 1 UNL1111111111 -0.4449 7 C -0.8122 -3.4879 0.6764 C.ar 1 UNL1111111111 -0.0408 8 N -2.8437 -2.0897 0.8198 N.2 1 UNL1111111111 -0.4791 9 C -2.8437 -0.8318 0.5222 C.2 1 UNL1111111111 0.4332 10 C -3.9091 -0.0959 -0.1491 C.ar 1 UNL1111111111 -0.1895 11 C 1.7456 -1.2089 1.8689 C.ar 1 UNL1111111111 -0.1399 12 C 3.0240 -1.1843 1.3131 C.ar 1 UNL1111111111 -0.1925 13 C 3.1401 -1.1303 -0.0674 C.ar 1 UNL1111111111 0.0301 14 CL 4.6977 -0.9518 -0.7544 Cl 1 UNL1111111111 -0.0989 15 C 2.0412 -1.1974 -0.9114 C.ar 1 UNL1111111111 -0.1782 16 C 0.7744 -1.2382 -0.3368 C.ar 1 UNL1111111111 -0.1154 17 C 0.3221 -4.0874 1.2363 C.ar 1 UNL1111111111 -0.1383 18 C 1.1010 -4.9653 0.4879 C.ar 1 UNL1111111111 -0.1765 19 C 0.7159 -5.2320 -0.8191 C.ar 1 UNL1111111111 0.0310 20 CL 1.6902 -6.2799 -1.7613 Cl 1 UNL1111111111 -0.0986 21 C -0.4206 -4.6820 -1.3931 C.ar 1 UNL1111111111 -0.1766 22 C -1.1910 -3.8063 -0.6295 C.ar 1 UNL1111111111 -0.1100 23 C -1.1680 0.8117 -0.0581 C.2 1 UNL1111111111 0.7090 24 O -1.2745 0.5270 -1.2386 O.2 1 UNL1111111111 -0.5476 25 N -0.7590 2.0797 0.3154 N.am 1 UNL1111111111 -0.4330 26 C -0.3904 2.4618 1.6766 C.3 1 UNL1111111111 -0.0843 27 C 1.1152 2.2312 1.9491 C.3 1 UNL1111111111 -0.1704 28 N 1.9865 2.8232 0.8967 N.3 1 UNL1111111111 -0.4147 29 C 1.5541 2.4387 -0.4686 C.3 1 UNL1111111111 -0.1643 30 C 0.0666 2.7948 -0.6755 C.3 1 UNL1111111111 -0.0852 31 C -4.2700 -0.4064 -1.4572 C.ar 1 UNL1111111111 0.0053 32 C -5.2462 0.3396 -2.1143 C.ar 1 UNL1111111111 -0.2726 33 C -5.8721 1.4133 -1.4777 C.ar 1 UNL1111111111 0.1089 34 C -6.9144 2.2695 -2.1754 C.3 1 UNL1111111111 0.1020 35 C -8.2226 2.2210 -1.3652 C.3 1 UNL1111111111 -0.4585 36 C -6.3842 3.7133 -2.2467 C.3 1 UNL1111111111 -0.4586 37 C -5.5306 1.7251 -0.1565 C.ar 1 UNL1111111111 -0.3501 38 C -4.5640 0.9675 0.5006 C.ar 1 UNL1111111111 0.2962 39 O -4.1711 1.1315 1.7837 O.3 1 UNL1111111111 -0.3204 40 C -4.6132 2.3083 2.4701 C.3 1 UNL1111111111 -0.0233 41 C -3.9309 2.1838 3.8261 C.3 1 UNL1111111111 -0.4510 42 C -7.2186 1.7941 -3.6052 C.3 1 UNL1111111111 -0.4628 43 C 4.3715 2.7693 0.0594 C.3 1 UNL1111111111 -0.2573 44 C 5.7852 2.3801 0.4816 C.3 1 UNL1111111111 -0.5913 45 S 7.0103 2.7191 -0.7933 S.O2 1 UNL1111111111 2.2342 46 C 6.7569 1.4819 -2.0493 C.3 1 UNL1111111111 -0.7536 47 O 6.7085 4.0089 -1.3774 O.2 1 UNL1111111111 -0.9185 48 O 8.3026 2.4732 -0.1866 O.2 1 UNL1111111111 -0.9249 49 C 3.3832 2.3806 1.1749 C.3 1 UNL1111111111 -0.1267 50 H -0.1712 0.2756 3.2680 H 1 UNL1111111111 0.1485 51 H -1.7759 -0.4186 3.4684 H 1 UNL1111111111 0.1763 52 H -0.3384 -1.4091 3.7820 H 1 UNL1111111111 0.1573 53 H -2.6867 -2.4877 3.3972 H 1 UNL1111111111 0.1621 54 H -2.5663 -4.0605 2.6250 H 1 UNL1111111111 0.1722 55 H -1.1511 -3.3885 3.4548 H 1 UNL1111111111 0.1434 56 H 1.6514 -1.2551 2.9546 H 1 UNL1111111111 0.1663 57 H 3.9027 -1.2065 1.9565 H 1 UNL1111111111 0.1728 58 H 2.1522 -1.2229 -1.9968 H 1 UNL1111111111 0.1845 59 H -0.1008 -1.3328 -0.9942 H 1 UNL1111111111 0.2018 60 H 0.6146 -3.8556 2.2595 H 1 UNL1111111111 0.1557 61 H 1.9910 -5.4190 0.9206 H 1 UNL1111111111 0.1694 62 H -0.7106 -4.9186 -2.4161 H 1 UNL1111111111 0.1727 63 H -2.0976 -3.3706 -1.0605 H 1 UNL1111111111 0.1844 64 H -0.6334 3.5457 1.7956 H 1 UNL1111111111 0.1599 65 H -1.0150 1.9088 2.4132 H 1 UNL1111111111 0.1612 66 H 1.3852 2.7270 2.9083 H 1 UNL1111111111 0.1468 67 H 1.2997 1.1429 2.0776 H 1 UNL1111111111 0.1275 68 H 2.1596 3.0279 -1.1940 H 1 UNL1111111111 0.1555 69 H 1.7187 1.3618 -0.6894 H 1 UNL1111111111 0.1309 70 H -0.2594 2.5369 -1.7101 H 1 UNL1111111111 0.1761 71 H -0.0980 3.8881 -0.5395 H 1 UNL1111111111 0.1616 72 H -3.7699 -1.2318 -1.9707 H 1 UNL1111111111 0.1672 73 H -5.4991 0.0745 -3.1373 H 1 UNL1111111111 0.1635 74 H -8.1037 2.6512 -0.3661 H 1 UNL1111111111 0.1450 75 H -9.0201 2.7783 -1.8670 H 1 UNL1111111111 0.1453 76 H -8.5668 1.1879 -1.2381 H 1 UNL1111111111 0.1518 77 H -5.4211 3.7516 -2.7697 H 1 UNL1111111111 0.1539 78 H -7.0810 4.3651 -2.7828 H 1 UNL1111111111 0.1446 79 H -6.2328 4.1426 -1.2515 H 1 UNL1111111111 0.1457 80 H -6.0187 2.5519 0.3460 H 1 UNL1111111111 0.1646 81 H -4.2815 3.2001 1.9107 H 1 UNL1111111111 0.1309 82 H -5.7131 2.2922 2.5505 H 1 UNL1111111111 0.1247 83 H -4.2594 1.2779 4.3525 H 1 UNL1111111111 0.1578 84 H -2.8410 2.1092 3.7144 H 1 UNL1111111111 0.1575 85 H -4.1516 3.0466 4.4620 H 1 UNL1111111111 0.1493 86 H -7.6048 0.7687 -3.6150 H 1 UNL1111111111 0.1495 87 H -7.9764 2.4292 -4.0771 H 1 UNL1111111111 0.1453 88 H -6.3270 1.8299 -4.2414 H 1 UNL1111111111 0.1506 89 H 4.2977 3.8630 -0.1360 H 1 UNL1111111111 0.1760 90 H 4.0886 2.2710 -0.8882 H 1 UNL1111111111 0.1393 91 H 6.0738 2.9353 1.3978 H 1 UNL1111111111 0.1817 92 H 5.8315 1.3150 0.7748 H 1 UNL1111111111 0.1725 93 H 5.7088 1.3883 -2.3530 H 1 UNL1111111111 0.1833 94 H 7.3197 1.7320 -2.9597 H 1 UNL1111111111 0.1892 95 H 7.1101 0.4934 -1.7322 H 1 UNL1111111111 0.1869 96 H 3.6837 2.8870 2.1210 H 1 UNL1111111111 0.1426 97 H 3.4478 1.2847 1.3548 H 1 UNL1111111111 0.1169 @BOND 1 1 9 1 2 2 5 1 3 2 1 1 4 3 2 1 5 3 50 1 6 3 51 1 7 3 52 1 8 4 11 ar 9 4 2 1 10 5 6 1 11 5 8 1 12 6 53 1 13 6 54 1 14 6 55 1 15 7 5 1 16 8 9 2 17 9 10 1 18 10 31 ar 19 11 56 1 20 12 11 ar 21 12 57 1 22 13 12 ar 23 14 13 1 24 15 13 ar 25 15 16 ar 26 15 58 1 27 16 4 ar 28 16 59 1 29 17 7 ar 30 17 60 1 31 18 17 ar 32 18 61 1 33 19 18 ar 34 19 21 ar 35 20 19 1 36 21 22 ar 37 21 62 1 38 22 7 ar 39 22 63 1 40 23 1 am 41 23 25 am 42 24 23 2 43 25 30 1 44 26 25 1 45 26 27 1 46 26 64 1 47 26 65 1 48 27 28 1 49 27 66 1 50 27 67 1 51 28 29 1 52 28 49 1 53 29 68 1 54 29 69 1 55 30 29 1 56 30 70 1 57 30 71 1 58 31 32 ar 59 31 72 1 60 32 73 1 61 33 32 ar 62 33 34 1 63 34 42 1 64 35 34 1 65 35 74 1 66 35 75 1 67 35 76 1 68 36 34 1 69 36 77 1 70 36 78 1 71 36 79 1 72 37 33 ar 73 37 80 1 74 38 10 ar 75 38 37 ar 76 39 38 1 77 40 39 1 78 40 81 1 79 40 82 1 80 41 40 1 81 41 83 1 82 41 84 1 83 41 85 1 84 42 86 1 85 42 87 1 86 42 88 1 87 43 44 1 88 43 89 1 89 43 90 1 90 44 45 1 91 44 91 1 92 44 92 1 93 45 48 2 94 45 47 2 95 45 46 1 96 46 93 1 97 46 94 1 98 46 95 1 99 49 43 1 100 49 96 1 101 49 97 1