@MOLECULE (5e)-5-({n-[(2-methyl-2-propanyl)oxy]carbamimidoyl}imino)-l-norvaline 17 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.7605 -0.8815 0.4967 O.2 1 UNL1 -0.3467 2 C 4.5924 -1.6362 0.8223 C.1 1 UNL1 0.6582 3 O 5.4181 -2.3917 1.1518 O.2 1 UNL1 -0.3116 4 C 4.0019 1.6630 -0.6414 C.1 1 UNL1 0.1683 5 N 5.1476 1.6926 -0.8214 N.1 1 UNL1 -0.2009 6 C 2.6502 1.6205 -0.4239 C.3 1 UNL1 -0.0356 7 C 1.4496 1.5697 -0.2231 C.1 1 UNL1 0.0965 8 C 0.1181 1.5090 0.0030 C.1 1 UNL1 -0.0620 9 N -1.0295 1.4397 0.1915 N.pl3 1 UNL1 0.3642 10 C -2.4443 -1.7021 -1.3241 C.1 2 UNL2 0.0587 11 N -1.6812 -1.1388 -1.9867 N.1 2 UNL2 -0.1648 12 N -3.4188 -2.5017 -0.6872 N.2 2 UNL2 0.1205 13 O -3.6617 -2.3132 0.4502 O.2 2 UNL2 -0.0145 14 C -3.5070 1.2967 0.6094 C.1 1 UNL1 0.5790 15 C -6.0353 1.1449 1.0202 C.1 1 UNL1 0.4470 16 C -4.7718 1.2083 0.8119 C.1 1 UNL1 -0.7995 17 C -2.2576 1.3603 0.4030 C.1 1 UNL1 -0.5570 @BOND 1 11 10 3 2 10 12 1 3 5 4 3 4 12 13 2 5 4 6 1 6 6 7 1 7 7 8 3 8 8 9 1 9 9 17 1 10 17 14 3 11 1 2 2 12 14 16 1 13 16 15 3 14 2 3 2