@MOLECULE ethyl l-gamma-glutamyl-l-cysteinylglycinate 43 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1242 -2.3528 0.1478 S.3 1 UNL11111111 -0.1571 2 O 1.7618 0.6949 -1.9804 O.2 1 UNL11111111 -0.5446 3 O -1.6000 0.7428 1.3630 O.2 1 UNL11111111 -0.4964 4 O 5.1669 -0.4793 2.0243 O.3 1 UNL11111111 -0.5992 5 OXT 6.3259 -1.4989 0.4217 O.2 1 UNL11111111 -0.4486 6 O -4.8498 -0.0090 -0.1079 O.3 1 UNL11111111 -0.4199 7 O -6.0353 1.4812 1.0753 O.2 1 UNL11111111 -0.5046 8 N 0.6270 0.2280 -0.0912 N.am 1 UNL11111111 -0.6048 9 N -2.7330 1.4822 -0.4675 N.am 1 UNL11111111 -0.5713 10 N 6.7306 1.1353 -0.6775 N.3 1 UNL11111111 -0.6411 11 C 4.2966 0.7160 -0.7881 C.3 1 UNL11111111 -0.2596 12 C 3.0467 0.4804 0.0590 C.3 1 UNL11111111 -0.3625 13 C -0.6453 0.2176 -0.8004 C.3 1 UNL11111111 0.0191 14 CA 5.5323 0.8392 0.1281 C.3 1 UNL11111111 -0.0067 15 C 1.7966 0.4761 -0.7872 C.2 1 UNL11111111 0.5995 16 C -1.0453 -1.1866 -1.2697 C.3 1 UNL11111111 -0.3587 17 C -1.7092 0.7864 0.1584 C.2 1 UNL11111111 0.5529 18 C 5.7647 -0.5116 0.7945 C.2 1 UNL11111111 0.6126 19 C -3.7954 2.0645 0.3412 C.3 1 UNL11111111 -0.1413 20 C -5.0204 1.1838 0.4991 C.2 1 UNL11111111 0.5656 21 C -5.9238 -0.9487 0.0857 C.3 1 UNL11111111 0.0064 22 C -5.4344 -2.2213 -0.5806 C.3 1 UNL11111111 -0.4649 23 H 4.1799 1.6275 -1.4093 H 1 UNL11111111 0.1676 24 H 4.4422 -0.1018 -1.5269 H 1 UNL11111111 0.1818 25 H -0.5437 0.8821 -1.7161 H 1 UNL11111111 0.1918 26 H 3.1300 -0.4838 0.6092 H 1 UNL11111111 0.1813 27 H 2.9624 1.2653 0.8428 H 1 UNL11111111 0.1766 28 HA 5.3451 1.6185 0.9179 H 1 UNL11111111 0.1472 29 H 0.6006 0.0190 0.9012 H 1 UNL11111111 0.3414 30 H -0.2931 -1.5345 -2.0058 H 1 UNL11111111 0.1816 31 H -2.0166 -1.1605 -1.7961 H 1 UNL11111111 0.1612 32 H -2.9414 1.3433 -1.4443 H 1 UNL11111111 0.3141 33 H1 6.6239 1.9712 -1.2254 H 1 UNL11111111 0.2629 34 H2 7.5634 1.1990 -0.1138 H 1 UNL11111111 0.2598 35 H -3.4034 2.2995 1.3707 H 1 UNL11111111 0.2090 36 H -4.1068 3.0424 -0.1064 H 1 UNL11111111 0.1797 37 H -1.2945 -3.4934 -0.5339 H 1 UNL11111111 0.1580 38 H 5.2540 -1.3145 2.5397 H 1 UNL11111111 0.3574 39 H -6.8346 -0.5293 -0.3792 H 1 UNL11111111 0.1339 40 H -6.0922 -1.0690 1.1719 H 1 UNL11111111 0.1411 41 H -5.2028 -2.0591 -1.6399 H 1 UNL11111111 0.1543 42 H -4.5223 -2.5993 -0.1006 H 1 UNL11111111 0.1676 43 H -6.1936 -3.0101 -0.5205 H 1 UNL11111111 0.1571 @BOND 1 1 16 1 2 1 37 1 3 2 15 2 4 3 17 2 5 4 18 1 6 4 38 1 7 5 18 2 8 6 20 1 9 6 21 1 10 7 20 2 11 8 13 1 12 8 15 am 13 8 29 1 14 9 17 am 15 9 19 1 16 9 32 1 17 10 14 1 18 10 33 1 19 10 34 1 20 11 12 1 21 11 14 1 22 11 23 1 23 11 24 1 24 12 15 1 25 12 26 1 26 12 27 1 27 13 16 1 28 13 17 1 29 13 25 1 30 14 18 1 31 14 28 1 32 16 30 1 33 16 31 1 34 19 20 1 35 19 35 1 36 19 36 1 37 21 22 1 38 21 39 1 39 21 40 1 40 22 41 1 41 22 42 1 42 22 43 1