@MOLECULE para-cresidine 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.2123 0.0533 -0.0181 O.3 1 UNL11111111 -0.3305 2 N -0.7621 2.3032 -0.0574 N.pl3 1 UNL11111111 -0.6055 3 C 1.9259 -0.2499 0.0105 C.ar 1 UNL11111111 0.0664 4 C -0.1076 1.0705 0.0181 C.ar 1 UNL11111111 0.1785 5 C -0.8560 -0.1383 -0.0043 C.ar 1 UNL11111111 0.1008 6 C 1.2874 0.9952 0.0296 C.ar 1 UNL11111111 -0.2805 7 C 1.1771 -1.4216 -0.0070 C.ar 1 UNL11111111 -0.2159 8 C -0.2203 -1.3670 -0.0122 C.ar 1 UNL11111111 -0.2044 9 C 3.4174 -0.3097 -0.0070 C.3 1 UNL11111111 -0.4493 10 C -3.0010 -1.1254 0.0252 C.3 1 UNL11111111 -0.1950 11 H 1.8786 1.9066 0.0338 H 1 UNL11111111 0.1630 12 H 1.6671 -2.3904 -0.0209 H 1 UNL11111111 0.1536 13 H -0.7837 -2.2953 -0.0221 H 1 UNL11111111 0.1574 14 H 3.8770 0.5551 0.4914 H 1 UNL11111111 0.1537 15 H 3.8014 -1.2098 0.4922 H 1 UNL11111111 0.1539 16 H 3.7913 -0.3246 -1.0416 H 1 UNL11111111 0.1605 17 H -0.2829 3.1026 0.3072 H 1 UNL11111111 0.2843 18 H -1.7493 2.3007 0.1123 H 1 UNL11111111 0.2942 19 H -2.8300 -1.6731 0.9580 H 1 UNL11111111 0.1321 20 H -2.8108 -1.7565 -0.8515 H 1 UNL11111111 0.1343 21 H -4.0231 -0.7267 -0.0057 H 1 UNL11111111 0.1484 @BOND 1 16 9 1 2 20 10 1 3 2 4 1 4 2 18 1 5 2 17 1 6 13 8 1 7 12 7 1 8 1 5 1 9 1 10 1 10 8 7 ar 11 8 5 ar 12 7 3 ar 13 9 3 1 14 9 15 1 15 9 14 1 16 5 4 ar 17 21 10 1 18 3 6 ar 19 4 6 ar 20 10 19 1 21 6 11 1