@MOLECULE l-gamma-glutamyl-s-(2-amino-2-oxoethyl)-l-cysteinylglycine 44 43 0 0 0 SMALL GASTEIGER @ATOM 1 SG -1.4948 -1.3611 -0.0917 S.3 1 UNL111111111 0.0800 2 O 1.8533 1.1598 -2.0489 O.2 1 UNL111111111 -0.5468 3 O -1.4395 2.2289 1.0285 O.2 1 UNL111111111 -0.5082 4 O 4.8263 -0.3165 2.1799 O.3 1 UNL111111111 -0.5967 5 OXT 5.9045 -1.5770 0.6954 O.2 1 UNL111111111 -0.4497 6 O -4.5691 0.6439 0.4822 O.3 1 UNL111111111 -0.5458 7 O -3.3267 -3.8881 0.7440 O.2 1 UNL111111111 -0.5047 8 OXT -5.8568 2.2317 1.3886 O.2 1 UNL111111111 -0.4933 9 N 0.5724 1.0121 -0.2014 N.am 1 UNL111111111 -0.6082 10 N -2.8872 2.2027 -0.7190 N.am 1 UNL111111111 -0.5574 11 N 6.7630 0.9249 -0.4739 N.3 1 UNL111111111 -0.6420 12 N -1.7029 -5.0753 -0.2479 N.am 1 UNL111111111 -0.6938 13 CA -0.6555 1.1485 -0.9806 C.3 1 UNL111111111 0.0205 14 C 4.3030 0.8697 -0.7133 C.3 1 UNL111111111 -0.2602 15 C 2.9899 0.8794 0.0703 C.3 1 UNL111111111 -0.3632 16 CA 5.4943 0.8399 0.2692 C.3 1 UNL111111111 -0.0054 17 CB -1.1313 -0.2175 -1.4908 C.3 1 UNL111111111 -0.3732 18 C 1.7987 1.0398 -0.8423 C.2 1 UNL111111111 0.6003 19 C -1.6968 1.8602 -0.0964 C.2 1 ACE111111111 0.5558 20 C 5.4835 -0.4986 0.9948 C.2 1 UNL111111111 0.6112 21 CA -3.9181 2.8710 0.0649 C.3 1 UNL111111111 -0.1409 22 C -2.1656 -2.7834 -1.0404 C.3 1 UNL111111111 -0.4402 23 C -2.4484 -3.9198 -0.0915 C.2 1 UNL111111111 0.6054 24 C -4.8955 1.9287 0.7350 C.2 1 UNL111111111 0.6066 25 HA -0.4398 1.8109 -1.8803 H 1 UNL111111111 0.1910 26 H 4.3476 0.0045 -1.4096 H 1 UNL111111111 0.1807 27 H 4.3666 1.7559 -1.3771 H 1 UNL111111111 0.1679 28 H 2.8828 -0.0646 0.6518 H 1 UNL111111111 0.1832 29 H 2.9982 1.6887 0.8316 H 1 UNL111111111 0.1760 30 HA 5.3790 1.6673 1.0243 H 1 UNL111111111 0.1483 31 H 0.4764 0.9903 0.8070 H 1 UNL111111111 0.3406 32 HB1 -0.3234 -0.6551 -2.1150 H 1 UNL111111111 0.1836 33 HB2 -2.0140 -0.1145 -2.1429 H 1 UNL111111111 0.1543 34 H -3.2089 1.7038 -1.5330 H 1 UNL111111111 0.3126 35 H1 6.8144 1.7517 -1.0445 H 1 UNL111111111 0.2628 36 H2 7.5710 0.8773 0.1248 H 1 UNL111111111 0.2607 37 HA1 -4.4839 3.5658 -0.6039 H 1 UNL111111111 0.1777 38 HA2 -3.4376 3.5110 0.8561 H 1 UNL111111111 0.2089 39 H -3.1221 -2.4975 -1.5260 H 1 UNL111111111 0.1887 40 H -1.4701 -3.0607 -1.8521 H 1 UNL111111111 0.1695 41 H 4.7710 -1.1293 2.7324 H 1 UNL111111111 0.3566 42 H -1.9011 -5.8645 0.3367 H 1 UNL111111111 0.3144 43 H -0.9329 -5.1595 -0.8694 H 1 UNL111111111 0.3039 44 H -5.1145 -0.0251 0.9705 H 1 UNL111111111 0.3686 @BOND 1 1 17 1 2 1 22 1 3 2 18 2 4 3 19 2 5 4 20 1 6 4 41 1 7 5 20 2 8 6 24 1 9 6 44 1 10 7 23 2 11 8 24 2 12 9 13 1 13 9 18 am 14 9 31 1 15 10 19 am 16 10 21 1 17 10 34 1 18 11 16 1 19 11 35 1 20 11 36 1 21 12 23 am 22 12 42 1 23 12 43 1 24 13 17 1 25 13 19 1 26 13 25 1 27 14 15 1 28 14 16 1 29 14 26 1 30 14 27 1 31 15 18 1 32 15 28 1 33 15 29 1 34 16 20 1 35 16 30 1 36 17 32 1 37 17 33 1 38 21 24 1 39 21 37 1 40 21 38 1 41 22 23 1 42 22 39 1 43 22 40 1