@MOLECULE l-gamma-glutamyl-s-nitroso-l-cysteinylglycine 38 37 0 0 0 SMALL GASTEIGER @ATOM 1 SG -1.5470 -1.8694 0.1361 S.3 1 UNL11111111 0.0317 2 O 1.5551 0.6713 -2.1085 O.2 1 UNL11111111 -0.5393 3 O -1.8047 1.7822 0.9172 O.2 1 UNL11111111 -0.5076 4 O 4.6841 -0.0772 2.2009 O.3 1 UNL11111111 -0.5988 5 OXT 5.8660 -1.3825 0.8387 O.2 1 UNL11111111 -0.4466 6 O -4.7811 -0.1417 0.6377 O.3 1 UNL11111111 -0.5447 7 OXT -6.2073 1.4242 1.3426 O.2 1 UNL11111111 -0.4924 8 O -2.3073 -4.3163 0.0034 O.2 1 UNL11111111 -0.0656 9 N 0.3089 0.6611 -0.2303 N.am 1 UNL11111111 -0.6166 10 N 6.4795 1.0425 -0.6096 N.3 1 UNL11111111 -0.6420 11 N -3.2582 1.4351 -0.7926 N.am 1 UNL11111111 -0.5577 12 N -2.0669 -3.3972 -0.6790 N.2 1 UNL11111111 0.0210 13 C 4.0341 0.7451 -0.7936 C.3 1 UNL11111111 -0.2592 14 CA -0.9350 0.5923 -0.9935 C.3 1 UNL11111111 0.0186 15 C 2.7318 0.7228 0.0069 C.3 1 UNL11111111 -0.3637 16 CA 5.2310 0.9256 0.1647 C.3 1 UNL11111111 -0.0056 17 C 1.5241 0.6960 -0.8964 C.2 1 UNL11111111 0.6024 18 CB -1.2754 -0.8566 -1.3667 C.3 1 UNL11111111 -0.3681 19 C -2.0338 1.2836 -0.1630 C.2 1 ACE11111111 0.5512 20 C 5.3456 -0.3234 1.0288 C.2 1 UNL11111111 0.6110 21 CA -4.3446 2.0807 -0.0696 C.3 1 UNL11111111 -0.1385 22 C -5.2204 1.1343 0.7217 C.2 1 UNL11111111 0.6047 23 H 4.0141 1.5568 -1.5487 H 1 UNL11111111 0.1671 24 H 4.1519 -0.1836 -1.3938 H 1 UNL11111111 0.1825 25 HA -0.7999 1.1777 -1.9575 H 1 UNL11111111 0.1931 26 H 2.6815 1.5982 0.6890 H 1 UNL11111111 0.1755 27 H 2.7089 -0.1696 0.6738 H 1 UNL11111111 0.1843 28 HA 5.0513 1.8151 0.8303 H 1 UNL11111111 0.1473 29 H 0.2263 0.7718 0.7740 H 1 UNL11111111 0.3401 30 HB1 -2.1533 -0.9156 -2.0339 H 1 UNL11111111 0.1677 31 HB2 -0.4278 -1.2818 -1.9527 H 1 UNL11111111 0.1992 32 H1 7.2944 1.1305 -0.0251 H 1 UNL11111111 0.2609 33 H2 6.4483 1.8014 -1.2672 H 1 UNL11111111 0.2629 34 H -3.5289 0.8316 -1.5543 H 1 UNL11111111 0.3156 35 HA1 -4.9847 2.6375 -0.8005 H 1 UNL11111111 0.1806 36 HA2 -3.9288 2.8527 0.6380 H 1 UNL11111111 0.2099 37 H 4.7058 -0.8281 2.8381 H 1 UNL11111111 0.3573 38 H -5.3069 -0.7783 1.1880 H 1 UNL11111111 0.3617 @BOND 1 1 12 1 2 1 18 1 3 2 17 2 4 3 19 2 5 4 20 1 6 4 37 1 7 5 20 2 8 6 22 1 9 6 38 1 10 7 22 2 11 8 12 2 12 9 14 1 13 9 17 am 14 9 29 1 15 10 16 1 16 10 32 1 17 10 33 1 18 11 19 am 19 11 21 1 20 11 34 1 21 13 15 1 22 13 16 1 23 13 23 1 24 13 24 1 25 14 18 1 26 14 19 1 27 14 25 1 28 15 17 1 29 15 26 1 30 15 27 1 31 16 20 1 32 16 28 1 33 18 30 1 34 18 31 1 35 21 22 1 36 21 35 1 37 21 36 1