@MOLECULE 4-azido-n-(1-benzyl-4-piperidinyl)-5-iodo-2-methoxybenzamide 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 5.2649 0.6442 0.3756 I 1 UNL1 0.0223 2 O 0.1847 2.6691 -0.6865 O.2 1 UNL1 -0.5322 3 O -0.5971 -1.1554 -0.7822 O.3 1 UNL1 -0.3320 4 N -4.7809 0.6816 -0.6682 N.3 1 UNL1 -0.4176 5 N -1.2898 1.2293 0.2507 N.am 1 UNL1 -0.5946 6 N 3.9100 -2.5314 -0.2432 N.2 1 UNL1 -0.4360 7 N 5.1249 -2.5390 0.0568 N.2 1 UNL1 0.4369 8 N 6.1962 -2.8367 0.2751 N.2 1 UNL1 -0.1403 9 C -2.3988 2.1924 0.1527 C.3 1 UNL1 0.1109 10 C -3.5119 1.7928 1.1388 C.3 1 UNL1 -0.3096 11 C -2.9765 2.2476 -1.2763 C.3 1 UNL1 -0.3177 12 C -4.2346 0.5075 0.7002 C.3 1 UNL1 -0.1137 13 C -3.6932 0.9405 -1.6460 C.3 1 UNL1 -0.1095 14 C -5.5620 -0.5143 -1.0822 C.3 1 UNL1 -0.1373 15 C -6.7702 -0.6852 -0.1992 C.ar 1 UNL1 -0.0082 16 C -0.0619 1.5455 -0.2899 C.2 1 UNL1 0.6050 17 C -7.1090 -1.9502 0.2823 C.ar 1 UNL1 -0.1830 18 C -7.5621 0.4191 0.1232 C.ar 1 UNL1 -0.1436 19 C 0.9724 0.4760 -0.2737 C.ar 1 UNL1 -0.2646 20 C -8.2318 -2.1054 1.0934 C.ar 1 UNL1 -0.1423 21 C -8.6773 0.2620 0.9409 C.ar 1 UNL1 -0.1463 22 C 0.7045 -0.8829 -0.5270 C.ar 1 UNL1 0.3236 23 C 2.2849 0.8645 -0.0324 C.ar 1 UNL1 0.0206 24 C -9.0114 -1.0008 1.4298 C.ar 1 UNL1 -0.1570 25 C 1.7183 -1.8325 -0.5035 C.ar 1 UNL1 -0.3425 26 C 3.3181 -0.0732 -0.0017 C.ar 1 UNL1 -0.2659 27 C 3.0408 -1.4290 -0.2280 C.ar 1 UNL1 0.2828 28 C -0.9486 -2.5005 -1.0861 C.3 1 UNL1 -0.1914 29 H -1.9910 3.2063 0.4223 H 1 UNL1 0.1592 30 H -3.1027 1.6661 2.1575 H 1 UNL1 0.1489 31 H -4.2468 2.6214 1.1973 H 1 UNL1 0.1625 32 H -3.6867 3.0943 -1.3469 H 1 UNL1 0.1588 33 H -2.1670 2.4577 -2.0021 H 1 UNL1 0.1600 34 H -5.0900 0.3164 1.3888 H 1 UNL1 0.1489 35 H -3.5619 -0.3709 0.7852 H 1 UNL1 0.1055 36 H -4.1541 1.0470 -2.6527 H 1 UNL1 0.1374 37 H -2.9608 0.1074 -1.7074 H 1 UNL1 0.1139 38 H -5.9120 -0.3448 -2.1305 H 1 UNL1 0.1566 39 H -4.9464 -1.4403 -1.1010 H 1 UNL1 0.1175 40 H -1.5304 0.2704 0.4430 H 1 UNL1 0.3145 41 H -6.5014 -2.8153 0.0296 H 1 UNL1 0.1473 42 H -7.2873 1.4036 -0.2610 H 1 UNL1 0.1731 43 H -8.4982 -3.0924 1.4652 H 1 UNL1 0.1470 44 H -9.2880 1.1252 1.1976 H 1 UNL1 0.1496 45 H 2.4795 1.9374 0.1266 H 1 UNL1 0.1957 46 H -9.8801 -1.1234 2.0722 H 1 UNL1 0.1476 47 H 1.5199 -2.8875 -0.6914 H 1 UNL1 0.1975 48 H -0.7417 -3.1585 -0.2354 H 1 UNL1 0.1432 49 H -2.0301 -2.4200 -1.2626 H 1 UNL1 0.1519 50 H -0.4358 -2.8404 -1.9928 H 1 UNL1 0.1470 @BOND 1 36 13 1 2 38 14 1 3 33 11 1 4 50 28 1 5 37 13 1 6 13 11 1 7 13 4 1 8 32 11 1 9 11 9 1 10 49 28 1 11 39 14 1 12 28 3 1 13 28 48 1 14 14 4 1 15 14 15 1 16 3 22 1 17 47 25 1 18 2 16 2 19 4 12 1 20 22 25 ar 21 22 19 ar 22 25 27 ar 23 16 19 1 24 16 5 am 25 19 23 ar 26 42 18 1 27 6 27 1 28 6 7 2 29 27 26 ar 30 15 18 ar 31 15 17 ar 32 23 26 ar 33 23 45 1 34 26 1 1 35 41 17 1 36 7 8 2 37 18 21 ar 38 9 5 1 39 9 29 1 40 9 10 1 41 5 40 1 42 17 20 ar 43 12 35 1 44 12 10 1 45 12 34 1 46 21 44 1 47 21 24 ar 48 20 24 ar 49 20 43 1 50 10 31 1 51 10 30 1 52 24 46 1