@MOLECULE 3-(hydroxymethyl)-1-{(e)-[3-(5-nitro-2-furyl)-2-propen-1-ylidene]amino}-2,4-imidazolidinedione 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.7371 -2.1820 -0.0616 O.2 1 UNL1 -0.2980 2 O 3.1456 1.6184 0.0679 O.2 1 UNL1 -0.4073 3 O 6.3635 1.7650 0.1338 O.2 1 UNL1 -0.2713 4 O -3.6688 0.0050 -0.0026 O.2 1 UNL1 -0.1155 5 O -7.0385 -0.9315 0.0611 O.2 1 UNL1 -0.3590 6 O -5.2185 -2.0991 0.1188 O.2 1 UNL1 -0.3638 7 N 4.8117 -0.0510 0.0217 N.am 1 UNL1 -0.6397 8 N 2.6042 -0.6917 -0.0451 N.am 1 UNL1 -0.3787 9 N 1.2369 -0.6614 -0.0463 N.2 1 UNL1 -0.1125 10 N -5.8249 -1.0440 0.0673 N.pl3 1 UNL1 0.6508 11 C 3.2239 -1.9059 -0.0892 C.3 1 UNL1 0.3791 12 C 4.7552 -1.5218 -0.0474 C.2 1 UNL1 0.3793 13 C 3.4979 0.4795 0.0227 C.2 1 UNL1 0.6173 14 C 5.9738 0.6732 0.0788 C.2 1 UNL1 0.4979 15 C 0.5643 0.4491 -0.0521 C.2 1 UNL1 -0.0108 16 C -3.1139 1.3032 -0.0640 C.ar 1 UNL1 0.1035 17 C -0.8899 0.3043 -0.0450 C.2 1 UNL1 -0.1055 18 C -1.6959 1.3901 -0.0793 C.2 1 UNL1 -0.1463 19 C -4.1658 2.1846 -0.0897 C.ar 1 UNL1 -0.0378 20 C -5.0645 0.1620 0.0076 C.ar 1 UNL1 -0.0478 21 C -5.3426 1.5008 -0.0470 C.ar 1 UNL1 0.0885 22 H 0.9687 1.4737 -0.0595 H 1 UNL1 0.1946 23 H -1.2847 -0.7193 -0.0080 H 1 UNL1 0.1939 24 H -1.2915 2.4113 -0.1184 H 1 UNL1 0.1893 @BOND 1 24 18 1 2 19 16 ar 3 19 21 ar 4 11 12 1 5 11 8 1 6 18 16 1 7 18 17 2 8 16 4 ar 9 1 12 2 10 22 15 1 11 15 9 2 12 15 17 1 13 12 7 am 14 21 20 ar 15 9 8 1 16 8 13 am 17 17 23 1 18 4 20 ar 19 20 10 1 20 7 13 am 21 7 14 am 22 13 2 2 23 5 10 2 24 10 6 2 25 14 3 2