@MOLECULE 4-hydroxy-3-nitrophenylacetic acid 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.8777 1.5250 0.3761 O.3 1 UNL11111111 -0.3926 2 O 4.4156 -0.6783 -0.0598 O.3 1 UNL11111111 -0.5747 3 O 2.8541 -0.1468 1.4405 O.2 1 UNL11111111 -0.4792 4 O -2.0127 -2.3615 -0.1760 O.2 1 UNL11111111 -0.4305 5 O -3.4960 -0.8859 0.3091 O.2 1 UNL11111111 -0.3595 6 N -2.3594 -1.2025 0.0165 N.pl3 1 UNL11111111 0.6461 7 C 0.9658 0.3733 -0.6070 C.ar 1 UNL11111111 -0.0850 8 C 2.3520 -0.0581 -0.9546 C.3 1 UNL11111111 -0.3433 9 C -0.0386 -0.5750 -0.4556 C.ar 1 UNL11111111 -0.0231 10 C -1.3427 -0.1808 -0.1232 C.ar 1 UNL11111111 -0.1886 11 C 0.6801 1.7331 -0.4133 C.ar 1 UNL11111111 -0.0192 12 C -1.6160 1.1858 0.0633 C.ar 1 UNL11111111 0.3366 13 C -0.6010 2.1443 -0.0835 C.ar 1 UNL11111111 -0.3243 14 C 3.1620 -0.2780 0.2888 C.2 1 UNL11111111 0.6432 15 H 2.8654 0.6869 -1.6071 H 1 UNL11111111 0.1893 16 H 2.3535 -0.9913 -1.5687 H 1 UNL11111111 0.1966 17 H 0.1771 -1.6438 -0.5893 H 1 UNL11111111 0.1917 18 H 1.4764 2.4732 -0.5186 H 1 UNL11111111 0.1578 19 H -0.8205 3.1977 0.0675 H 1 UNL11111111 0.1712 20 H -2.9852 2.5066 0.5068 H 1 UNL11111111 0.3277 21 H 5.0078 -0.8536 0.7118 H 1 UNL11111111 0.3598 @BOND 1 15 8 1 2 16 8 1 3 8 7 1 4 8 14 1 5 7 9 ar 6 7 11 ar 7 17 9 1 8 18 11 1 9 9 10 ar 10 11 13 ar 11 4 6 2 12 10 6 1 13 10 12 ar 14 13 12 ar 15 13 19 1 16 2 14 1 17 2 21 1 18 6 5 2 19 12 1 1 20 14 3 2 21 1 20 1