@MOLECULE 1-[(3s)-5-(4-iodophenoxy)-3-methylpentyl]-3-(4-pyridinyl)-2-imidazolidinone 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 4.1193 -0.5462 -0.1877 I 1 UNL1 -0.0264 2 O -3.0399 1.9515 1.2471 O.2 1 UNL1 -0.5193 3 O -1.8628 -2.1409 0.3129 O.3 1 UNL1 -0.3421 4 N -3.8871 1.4610 -0.8649 N.am 1 UNL1 -0.4835 5 N -1.6161 1.5306 -0.5558 N.am 1 UNL1 -0.4984 6 N 2.0879 2.8510 0.9261 N.ar 1 UNL1 -0.4145 7 C -4.6506 -1.4939 -0.0027 C.3 1 UNL1 -0.0725 8 C -5.1605 -0.1750 0.5977 C.3 1 UNL1 -0.3366 9 C -5.1994 0.9785 -0.4184 C.3 1 UNL1 -0.0551 10 C -3.3212 0.9403 -2.1276 C.3 1 UNL1 -0.1064 11 C -1.7850 1.1315 -1.9696 C.3 1 UNL1 -0.0899 12 C -4.0322 -2.3817 1.0939 C.3 1 UNL1 -0.3069 13 C -2.8718 1.6665 0.0850 C.2 1 UNL1 0.7081 14 C -5.7898 -2.2424 -0.7034 C.3 1 UNL1 -0.4591 15 C -2.6409 -1.8847 1.4896 C.3 1 UNL1 -0.0444 16 C -0.3949 1.9943 -0.0648 C.ar 1 UNL1 0.3100 17 C -0.2409 2.3329 1.2922 C.ar 1 UNL1 -0.3301 18 C 0.7228 2.0936 -0.9146 C.ar 1 UNL1 -0.3615 19 C -0.5712 -1.7405 0.3145 C.ar 1 UNL1 0.2695 20 C 1.0136 2.7499 1.7353 C.ar 1 UNL1 0.0971 21 C 1.9348 2.5296 -0.3711 C.ar 1 UNL1 0.1043 22 C 0.1109 -1.1954 1.4035 C.ar 1 UNL1 -0.2879 23 C 0.0613 -1.9410 -0.9250 C.ar 1 UNL1 -0.2612 24 C 1.4537 -0.8541 1.2532 C.ar 1 UNL1 -0.0661 25 C 1.3983 -1.5975 -1.0613 C.ar 1 UNL1 -0.0852 26 C 2.0828 -1.0606 0.0298 C.ar 1 UNL1 -0.1363 27 H -3.8512 -1.2777 -0.7545 H 1 UNL1 0.1457 28 H -6.1724 -0.3165 1.0229 H 1 UNL1 0.1496 29 H -4.5322 0.1267 1.4637 H 1 UNL1 0.1733 30 H -5.7993 0.6969 -1.3106 H 1 UNL1 0.1398 31 H -5.7091 1.8583 0.0526 H 1 UNL1 0.1592 32 H -3.7258 1.5424 -2.9682 H 1 UNL1 0.1565 33 H -3.5816 -0.1211 -2.3116 H 1 UNL1 0.1444 34 H -1.2272 0.1884 -2.1585 H 1 UNL1 0.1600 35 H -1.4046 1.9124 -2.6604 H 1 UNL1 0.1542 36 H -3.9537 -3.4259 0.7265 H 1 UNL1 0.1591 37 H -4.6866 -2.4202 1.9834 H 1 UNL1 0.1510 38 H -5.4238 -3.1461 -1.2038 H 1 UNL1 0.1461 39 H -6.2684 -1.6189 -1.4656 H 1 UNL1 0.1404 40 H -6.5668 -2.5515 0.0041 H 1 UNL1 0.1460 41 H -2.6205 -0.8023 1.7154 H 1 UNL1 0.1443 42 H -2.2169 -2.4584 2.3316 H 1 UNL1 0.1325 43 H -1.0759 2.2778 1.9904 H 1 UNL1 0.2072 44 H 0.6697 1.8396 -1.9647 H 1 UNL1 0.1686 45 H 1.1853 3.0220 2.7841 H 1 UNL1 0.1700 46 H 2.8319 2.6317 -0.9946 H 1 UNL1 0.1696 47 H -0.3824 -1.0259 2.3558 H 1 UNL1 0.1741 48 H -0.4983 -2.3743 -1.7493 H 1 UNL1 0.1725 49 H 1.9869 -0.4239 2.1044 H 1 UNL1 0.1685 50 H 1.8921 -1.7571 -2.0212 H 1 UNL1 0.1617 @BOND 1 32 10 1 2 35 11 1 3 33 10 1 4 34 11 1 5 10 11 1 6 10 4 1 7 50 25 1 8 11 5 1 9 44 18 1 10 48 23 1 11 39 14 1 12 30 9 1 13 38 14 1 14 25 23 ar 15 25 26 ar 16 46 21 1 17 23 19 ar 18 18 21 ar 19 18 16 ar 20 4 9 1 21 4 13 am 22 27 7 1 23 14 7 1 24 14 40 1 25 5 16 1 26 5 13 am 27 9 31 1 28 9 8 1 29 21 6 ar 30 1 26 1 31 16 17 ar 32 7 8 1 33 7 12 1 34 26 24 ar 35 13 2 2 36 3 19 1 37 3 15 1 38 19 22 ar 39 8 28 1 40 8 29 1 41 36 12 1 42 6 20 ar 43 12 15 1 44 12 37 1 45 24 22 ar 46 24 49 1 47 17 20 ar 48 17 43 1 49 22 47 1 50 15 41 1 51 15 42 1 52 20 45 1