@MOLECULE n-(4-nitrophenyl)-5-oxo-d-prolinamide 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.5751 -1.3582 -0.5174 O.2 1 UNL111 -0.3263 2 O -1.5097 -1.1824 0.5307 O.2 1 UNL111 -0.2405 3 O 5.6751 0.5947 -0.3147 O.2 1 UNL111 -0.1956 4 O 5.2365 -1.5112 -0.3300 O.2 1 UNL111 -0.1259 5 N -4.0673 -0.3060 0.8493 N.am 1 UNL111 -0.7253 6 N -0.5535 0.8905 0.5144 N.am 1 UNL111 -0.6173 7 N 4.8940 -0.3422 -0.2500 N.pl3 1 UNL111 -0.1026 8 C -3.0161 0.6984 0.7313 C.3 1 UNL111 0.1974 9 C -3.3447 1.4716 -0.5789 C.3 1 UNL111 -0.1247 10 C -4.2856 0.5426 -1.3599 C.3 1 UNL111 -0.5810 11 C -4.7510 -0.4965 -0.3556 C.2 1 UNL111 0.4556 12 C -1.6407 0.0118 0.5960 C.2 1 UNL111 0.2564 13 C 0.7835 0.5109 0.2949 C.ar 1 UNL111 0.4255 14 C 1.7201 1.5635 0.1887 C.ar 1 UNL111 -0.4154 15 C 1.2145 -0.8226 0.1921 C.ar 1 UNL111 -0.3831 16 C 3.0639 1.2831 0.0076 C.ar 1 UNL111 -0.3679 17 C 2.5633 -1.0986 0.0106 C.ar 1 UNL111 -0.3216 18 C 3.4849 -0.0498 -0.0739 C.ar 1 UNL111 0.4944 19 H -3.0336 1.3708 1.6264 H 1 UNL111 0.1303 20 H -2.4462 1.7253 -1.1649 H 1 UNL111 0.1045 21 H -3.8421 2.4305 -0.3409 H 1 UNL111 0.1138 22 H -3.7643 0.0343 -2.1963 H 1 UNL111 0.2327 23 H -5.1437 1.0729 -1.8102 H 1 UNL111 0.2249 24 H -4.0459 -0.9906 1.5853 H 1 UNL111 0.4218 25 H -0.7280 1.8907 0.5977 H 1 UNL111 0.3378 26 H 1.3940 2.6005 0.2541 H 1 UNL111 0.2422 27 H 0.5069 -1.6540 0.2600 H 1 UNL111 0.3038 28 H 3.7970 2.0948 -0.0699 H 1 UNL111 0.2859 29 H 2.9086 -2.1382 -0.0581 H 1 UNL111 0.3004 @BOND 1 22 10 1 2 23 10 1 3 10 9 1 4 10 11 1 5 20 9 1 6 9 21 1 7 9 8 1 8 1 11 2 9 11 5 am 10 4 7 2 11 3 7 2 12 7 18 1 13 18 16 ar 14 18 17 ar 15 28 16 1 16 29 17 1 17 16 14 ar 18 17 15 ar 19 14 26 1 20 14 13 ar 21 15 27 1 22 15 13 ar 23 13 6 1 24 6 12 am 25 6 25 1 26 2 12 2 27 12 8 1 28 8 5 1 29 8 19 1 30 5 24 1