@MOLECULE nifuroxazide 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9949 0.1338 -0.0895 O.2 1 UNL1 -0.2183 2 O 5.7435 2.5475 0.4045 O.2 2 UNL2 -0.3506 3 O 2.4666 -3.4336 -0.2222 O.2 2 UNL2 -0.1327 4 O -6.4334 -0.3902 0.4961 O.2 1 UNL1 -0.3764 5 O -4.7460 -1.7401 0.4332 O.2 1 UNL1 -0.3842 6 N 0.2705 -0.9015 -0.6353 N.3 1 UNL1 -0.1053 7 N -0.2802 0.0835 -0.5926 N.3 1 UNL1 0.3824 8 N -5.2439 -0.6285 0.3621 N.pl3 1 UNL1 0.6705 9 C 3.6383 -1.2576 0.0041 C.2 2 UNL2 -0.2676 10 C -2.2929 1.3391 -0.3291 C.ar 1 UNL1 0.2972 11 C 5.0089 -0.9808 0.3345 C.2 2 UNL2 0.0224 12 C 3.1615 0.0879 -0.1565 C.2 2 UNL2 -0.0298 13 C -3.2535 2.2966 -0.2665 C.ar 1 UNL1 -0.1501 14 C 3.0038 -2.4231 -0.1187 C.1 2 UNL2 0.5588 15 C -4.3898 0.4703 0.1077 C.ar 1 UNL1 -0.0408 16 C 5.6025 0.1039 0.4465 C.2 2 UNL2 -0.1871 17 C 3.7784 1.1596 -0.0391 C.2 2 UNL2 -0.1704 18 C 5.1778 1.5060 0.2967 C.2 2 UNL2 0.5571 19 C -4.4343 1.8155 -0.0214 C.ar 1 UNL1 0.0957 20 C -0.9020 1.2282 -0.5518 C.3 1 UNL1 -0.4174 21 H -0.3272 2.1570 -0.6926 H 1 UNL1 0.2466 @BOND 1 21 20 1 2 6 7 1 3 7 20 1 4 20 10 1 5 10 13 ar 6 10 1 ar 7 13 19 ar 8 3 14 2 9 12 17 2 10 12 9 1 11 14 9 2 12 1 15 ar 13 17 18 1 14 19 15 ar 15 9 11 1 16 15 8 1 17 18 2 2 18 18 16 1 19 11 16 2 20 8 5 2 21 8 4 2