@MOLECULE 2-{[2-(5-nitro-2-furyl)thieno[3,2-d]pyrimidin-4-yl]amino}ethanol 21 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.8398 2.0457 0.0358 S.2 1 UNL1 0.4738 2 O -2.6375 0.3520 -0.0276 O.2 1 UNL1 -0.0569 3 O 3.1292 -4.6072 -0.6648 O.3 1 UNL1 -0.1661 4 O -6.0815 -0.3721 0.0008 O.2 1 UNL1 -0.3676 5 O -5.0022 1.4750 -0.3108 O.2 1 UNL1 -0.3461 6 N 3.1686 -1.1500 0.5897 N.pl3 1 UNL1 -0.1774 7 N 0.8231 -0.7947 0.2839 N.2 1 UNL1 -0.4609 8 N -0.1240 1.3947 -0.1036 N.pl3 1 UNL1 -0.3547 9 N -5.0553 0.2788 -0.0980 N.pl3 1 UNL1 0.6518 10 C 2.0819 -0.2911 0.2835 C.2 1 UNL1 0.3346 11 C 2.3060 1.0687 0.0836 C.ar 1 UNL1 -0.3410 12 C 1.1167 1.8896 -0.1178 C.ar 1 UNL1 0.2276 13 C -0.2230 0.0550 0.1072 C.2 1 UNL1 0.3412 14 C 3.2535 -2.3285 0.2237 C.1 1 UNL1 -0.0891 15 C -1.5430 -0.5333 0.1427 C.ar 1 UNL1 0.1130 16 C 1.6849 3.1638 -0.2884 C.ar 1 UNL1 -0.0089 17 C 3.0166 -3.5023 -0.3356 C.1 1 UNL1 0.4145 18 C 2.9107 3.4266 -0.2521 C.ar 1 UNL1 -0.1999 19 C -2.1170 -1.7513 0.3041 C.ar 1 UNL1 0.0032 20 C -3.8271 -0.4344 0.0501 C.ar 1 UNL1 0.0058 21 C -3.4155 -1.7078 0.2547 C.ar 1 UNL1 0.0034 @BOND 1 3 17 1 2 17 14 3 3 5 9 2 4 16 18 ar 5 16 12 ar 6 18 1 ar 7 12 8 1 8 12 11 ar 9 8 13 1 10 9 4 2 11 9 20 1 12 2 20 ar 13 2 15 ar 14 1 11 ar 15 20 21 ar 16 11 10 1 17 13 15 1 18 13 7 2 19 15 19 ar 20 14 6 1 21 21 19 ar 22 10 7 2 23 10 6 1