@MOLECULE 5-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl}-2,3-dihydroimidazo[2,1-a]isoquinoline 61 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.7070 0.4663 1.5042 O.3 1 UNL1 -0.3051 2 O 1.8779 1.9527 -1.1378 O.3 1 UNL1 -0.3506 3 O 3.7390 2.5345 0.9265 O.3 1 UNL1 -0.3199 4 N -3.2958 -1.1554 0.6122 N.ar 1 UNL1 -0.4268 5 N -5.4033 -1.2040 1.4786 N.2 1 UNL1 -0.4804 6 C -3.3275 -2.4613 1.3013 C.3 1 UNL1 -0.1110 7 C -4.5611 -0.5076 0.7700 C.ar 1 UNL1 0.3716 8 C -2.2734 -0.6320 -0.1380 C.ar 1 UNL1 0.2562 9 C -4.7764 -2.4734 1.8946 C.3 1 UNL1 -0.1118 10 C -4.7262 0.7894 0.1405 C.ar 1 UNL1 -0.1329 11 C -3.6591 1.3203 -0.6123 C.ar 1 UNL1 0.1102 12 C -1.0275 -1.4100 -0.2504 C.ar 1 UNL1 -0.0850 13 C -2.4330 0.5830 -0.7454 C.ar 1 UNL1 -0.3733 14 C 1.3764 -2.7877 -0.5187 C.ar 1 UNL1 0.0484 15 C 2.7128 -3.4417 -0.6993 C.3 1 UNL1 -0.2805 16 C -5.9277 1.4985 0.2777 C.ar 1 UNL1 -0.0695 17 C -0.1324 -1.4545 0.8193 C.ar 1 UNL1 -0.1212 18 C -0.7375 -2.0709 -1.4447 C.ar 1 UNL1 -0.1126 19 C -3.8253 2.5779 -1.2235 C.ar 1 UNL1 -0.2044 20 C 3.6265 -2.5553 -1.5738 C.3 1 UNL1 -0.2691 21 C 1.0663 -2.1475 0.6848 C.ar 1 UNL1 -0.1675 22 C 0.4617 -2.7642 -1.5750 C.ar 1 UNL1 -0.1848 23 C -6.0714 2.7341 -0.3310 C.ar 1 UNL1 -0.2020 24 C 3.7167 -1.1806 -0.9807 C.ar 1 UNL1 0.0842 25 C -5.0155 3.2701 -1.0824 C.ar 1 UNL1 -0.0930 26 C 2.7810 -0.2110 -1.3506 C.ar 1 UNL1 -0.2874 27 C 4.6795 -0.8973 -0.0188 C.ar 1 UNL1 -0.3015 28 C 4.7099 0.3673 0.5927 C.ar 1 UNL1 0.2290 29 C 2.7985 1.0267 -0.7169 C.ar 1 UNL1 0.2165 30 C 3.7659 1.3431 0.2479 C.ar 1 UNL1 -0.0373 31 C 5.7975 1.6569 2.2759 C.3 1 UNL1 -0.1905 32 C 0.8745 2.2095 -0.1544 C.3 1 UNL1 -0.1907 33 C 4.0119 3.6581 0.0872 C.3 1 UNL1 -0.2092 34 H -2.5486 -2.5081 2.0856 H 1 UNL1 0.1503 35 H -3.1542 -3.2883 0.5871 H 1 UNL1 0.1502 36 H -5.3790 -3.3186 1.5095 H 1 UNL1 0.1548 37 H -4.7743 -2.5317 3.0002 H 1 UNL1 0.1546 38 H -1.6336 1.0081 -1.3450 H 1 UNL1 0.1858 39 H 3.2041 -3.6248 0.2781 H 1 UNL1 0.1543 40 H 2.6033 -4.4400 -1.1664 H 1 UNL1 0.1465 41 H -6.7385 1.0624 0.8677 H 1 UNL1 0.1740 42 H -0.3640 -0.9345 1.7486 H 1 UNL1 0.1605 43 H -1.4438 -2.0326 -2.2741 H 1 UNL1 0.1614 44 H 3.2314 -2.5114 -2.6088 H 1 UNL1 0.1530 45 H 4.6290 -3.0199 -1.6574 H 1 UNL1 0.1517 46 H -3.0092 2.9962 -1.8081 H 1 UNL1 0.1590 47 H 1.7764 -2.1666 1.5102 H 1 UNL1 0.1608 48 H 0.6944 -3.2734 -2.5076 H 1 UNL1 0.1537 49 H -6.9998 3.2904 -0.2295 H 1 UNL1 0.1544 50 H -5.1395 4.2426 -1.5575 H 1 UNL1 0.1439 51 H 2.0190 -0.4190 -2.0984 H 1 UNL1 0.1829 52 H 5.4123 -1.6429 0.2799 H 1 UNL1 0.1777 53 H 4.8697 1.8381 2.8293 H 1 UNL1 0.1453 54 H 6.0486 2.5111 1.6410 H 1 UNL1 0.1377 55 H 6.6218 1.4217 2.9614 H 1 UNL1 0.1425 56 H 1.3160 2.6226 0.7587 H 1 UNL1 0.1422 57 H 0.3156 1.2917 0.0636 H 1 UNL1 0.1381 58 H 0.2345 2.9464 -0.6537 H 1 UNL1 0.1472 59 H 3.2160 3.7873 -0.6553 H 1 UNL1 0.1498 60 H 4.9812 3.5501 -0.4065 H 1 UNL1 0.1286 61 H 4.0206 4.4910 0.7984 H 1 UNL1 0.1408 @BOND 1 44 20 1 2 48 22 1 3 43 18 1 4 51 26 1 5 46 19 1 6 45 20 1 7 22 18 ar 8 22 14 ar 9 20 24 1 10 20 15 1 11 50 25 1 12 18 12 ar 13 26 24 ar 14 26 29 ar 15 38 13 1 16 19 25 ar 17 19 11 ar 18 40 15 1 19 2 29 1 20 2 32 1 21 25 23 ar 22 24 27 ar 23 13 11 ar 24 13 8 ar 25 29 30 ar 26 15 14 1 27 15 39 1 28 59 33 1 29 58 32 1 30 11 10 ar 31 14 21 ar 32 60 33 1 33 23 49 1 34 23 16 ar 35 12 8 1 36 12 17 ar 37 32 57 1 38 32 56 1 39 8 4 ar 40 27 52 1 41 27 28 ar 42 33 61 1 43 33 3 1 44 10 16 ar 45 10 7 ar 46 30 28 ar 47 30 3 1 48 16 41 1 49 35 6 1 50 28 1 1 51 4 7 ar 52 4 6 1 53 21 17 ar 54 21 47 1 55 7 5 2 56 17 42 1 57 6 9 1 58 6 34 1 59 5 9 1 60 1 31 1 61 36 9 1 62 54 31 1 63 9 37 1 64 31 53 1 65 31 55 1