@MOLECULE l-gamma-glutamyl-s-nitroso-d-cysteinylglycine 38 37 0 0 0 SMALL GASTEIGER @ATOM 1 SG -1.9248 -1.8795 -0.6210 S.3 1 UNL11111111 0.0334 2 O 1.5884 -0.4867 2.0479 O.2 1 UNL11111111 -0.5395 3 O -1.5115 1.8316 -0.5317 O.2 1 UNL11111111 -0.5071 4 O 4.7594 1.0568 -1.9620 O.3 1 UNL11111111 -0.6002 5 OXT 6.0889 1.9050 -0.3934 O.2 1 UNL11111111 -0.4469 6 O -4.8372 0.5040 -0.5168 O.3 1 UNL11111111 -0.5461 7 OXT -5.8929 2.4526 -0.7941 O.2 1 UNL11111111 -0.4919 8 O -3.0584 -4.1515 -1.0102 O.2 1 UNL11111111 -0.0668 9 N 0.3744 0.1364 0.2550 N.am 1 UNL11111111 -0.6163 10 N 6.4903 -0.8176 0.4887 N.3 1 UNL11111111 -0.6455 11 N -2.9919 1.3719 1.1291 N.am 1 UNL11111111 -0.5585 12 N -2.6561 -3.4647 -0.1522 N.2 1 UNL11111111 0.0185 13 C 4.0696 -0.4176 0.7332 C.3 1 UNL11111111 -0.2588 14 CA -0.8664 0.1032 1.0253 C.3 1 UNL11111111 0.0188 15 C 2.7801 -0.1134 -0.0280 C.3 1 UNL11111111 -0.3642 16 CA 5.2669 -0.4410 -0.2416 C.3 1 UNL11111111 -0.0034 17 C 1.5757 -0.1671 0.8780 C.2 1 UNL11111111 0.6020 18 CB -1.4625 -1.3097 1.0584 C.3 1 UNL11111111 -0.3684 19 C -1.8231 1.1499 0.4207 C.2 1 ACE11111111 0.5512 20 C 5.4676 0.9661 -0.7950 C.2 1 UNL11111111 0.6115 21 CA -3.9335 2.3695 0.6391 C.3 1 UNL11111111 -0.1376 22 C -4.9920 1.8299 -0.3003 C.2 1 UNL11111111 0.6054 23 H 3.9852 -1.3918 1.2576 H 1 UNL11111111 0.1658 24 H 4.2386 0.3227 1.5460 H 1 UNL11111111 0.1830 25 HA -0.6358 0.4085 2.0967 H 1 UNL11111111 0.1950 26 H 2.6422 -0.8387 -0.8605 H 1 UNL11111111 0.1773 27 H 2.8514 0.8832 -0.5166 H 1 UNL11111111 0.1839 28 HA 5.0452 -1.1382 -1.0965 H 1 UNL11111111 0.1466 29 H 0.3203 0.5069 -0.6875 H 1 UNL11111111 0.3403 30 HB1 -0.7038 -2.0074 1.4840 H 1 UNL11111111 0.1972 31 HB2 -2.3334 -1.3711 1.7343 H 1 UNL11111111 0.1682 32 H1 7.3118 -0.8108 -0.0921 H 1 UNL11111111 0.2622 33 H2 6.4006 -1.7066 0.9515 H 1 UNL11111111 0.2643 34 H -3.3686 0.6734 1.7512 H 1 UNL11111111 0.3161 35 HA1 -3.3751 3.1906 0.1059 H 1 UNL11111111 0.2101 36 HA2 -4.4414 2.8496 1.5154 H 1 UNL11111111 0.1806 37 H 4.8288 1.9323 -2.4086 H 1 UNL11111111 0.3584 38 H -5.4819 0.1297 -1.1701 H 1 UNL11111111 0.3614 @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