@MOLECULE l-3-nitrotyrosine 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.3316 -1.1774 -0.8368 O.3 1 UNL11111111 -0.4068 2 O 1.7834 0.7386 -1.6641 O.3 1 UNL11111111 -0.5499 3 OXT 3.0632 1.8994 -0.2455 O.2 1 UNL11111111 -0.5012 4 O -2.0482 2.3392 0.3400 O.2 1 UNL11111111 -0.4203 5 O -3.7667 1.0458 0.3790 O.2 1 UNL11111111 -0.3624 6 N 4.2575 -0.6352 0.5050 N.3 1 UNL11111111 -0.6337 7 N -2.5671 1.2314 0.3180 N.pl3 1 UNL11111111 0.6448 8 C 1.8998 -0.7283 1.1827 C.3 1 UNL11111111 -0.2842 9 CA 2.8834 -0.5306 0.0055 C.3 1 UNL11111111 0.0056 10 C 0.4997 -0.8661 0.6797 C.ar 1 UNL11111111 -0.0862 11 C -0.3744 0.2137 0.7340 C.ar 1 UNL11111111 -0.0395 12 C 0.0725 -2.0838 0.1301 C.ar 1 UNL11111111 -0.0346 13 C -1.6780 0.0891 0.2383 C.ar 1 UNL11111111 -0.1790 14 C -1.2103 -2.2222 -0.3762 C.ar 1 UNL11111111 -0.3180 15 C -2.0861 -1.1284 -0.3300 C.ar 1 UNL11111111 0.3283 16 C 2.6152 0.8435 -0.6045 C.2 1 UNL11111111 0.5755 17 H 2.2109 -1.6322 1.7545 H 1 UNL11111111 0.1787 18 H 1.9970 0.1051 1.9101 H 1 UNL11111111 0.1676 19 HA 2.7201 -1.3297 -0.7675 H 1 UNL11111111 0.1764 20 H -0.0533 1.1739 1.1581 H 1 UNL11111111 0.1892 21 H 0.7626 -2.9298 0.0969 H 1 UNL11111111 0.1580 22 H -1.5345 -3.1640 -0.8104 H 1 UNL11111111 0.1683 23 H1 4.4889 0.0974 1.1618 H 1 UNL11111111 0.2696 24 H2 4.9412 -0.6437 -0.2358 H 1 UNL11111111 0.2621 25 H -3.5463 -2.0661 -1.2283 H 1 UNL11111111 0.3298 26 H 1.5329 1.6079 -2.0701 H 1 UNL11111111 0.3618 @BOND 1 26 2 1 2 2 16 1 3 25 1 1 4 1 15 1 5 22 14 1 6 19 9 1 7 16 3 2 8 16 9 1 9 14 15 ar 10 14 12 ar 11 15 13 ar 12 24 6 1 13 9 6 1 14 9 8 1 15 21 12 1 16 12 10 ar 17 13 7 1 18 13 11 ar 19 7 4 2 20 7 5 2 21 6 23 1 22 10 11 ar 23 10 8 1 24 11 20 1 25 8 17 1 26 8 18 1