@MOLECULE l-gamma-glutamyl-s-propyl-l-cysteinylglycine 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 SG -1.4469 -1.5304 0.6295 S.3 1 UNL111111111 -0.0244 2 O 1.7440 0.2902 -2.1595 O.2 1 UNL111111111 -0.5456 3 O -1.4301 2.2142 0.6551 O.2 1 UNL111111111 -0.5066 4 O 4.9512 0.1695 2.1677 O.3 1 UNL111111111 -0.5997 5 OXT 5.9755 -1.4728 1.0710 O.2 1 UNL111111111 -0.4492 6 O -4.5468 0.5281 0.8033 O.3 1 UNL111111111 -0.5391 7 OXT -5.8234 2.3134 1.1990 O.2 1 UNL111111111 -0.5007 8 N 0.5622 0.7201 -0.2883 N.am 1 UNL111111111 -0.6063 9 N -2.9504 1.6537 -0.9373 N.am 1 UNL111111111 -0.5620 10 N 6.7284 0.5656 -0.8409 N.3 1 UNL111111111 -0.6435 11 CA -0.7093 0.6026 -0.9947 C.3 1 UNL111111111 0.0239 12 C 4.2632 0.4303 -0.9262 C.3 1 UNL111111111 -0.2601 13 C 2.9882 0.6575 -0.1146 C.3 1 UNL111111111 -0.3635 14 CB -1.1756 -0.8565 -1.0590 C.3 1 UNL111111111 -0.3671 15 CA 5.4986 0.7014 -0.0396 C.3 1 UNL111111111 -0.0052 16 C 1.7509 0.5332 -0.9705 C.2 1 UNL111111111 0.6026 17 C -1.7243 1.5284 -0.2976 C.2 1 ACE111111111 0.5590 18 C -2.0988 -3.2051 0.2626 C.3 1 UNL111111111 -0.3108 19 C -3.5606 -3.1914 -0.1770 C.3 1 UNL111111111 -0.2437 20 C 5.5454 -0.3581 1.0542 C.2 1 UNL111111111 0.6127 21 CA -3.9658 2.5155 -0.3512 C.3 1 UNL111111111 -0.1369 22 C -3.9926 -4.5991 -0.5917 C.3 1 UNL111111111 -0.4417 23 C -4.8822 1.8260 0.6324 C.2 1 UNL111111111 0.6054 24 HA -0.5642 0.9794 -2.0563 H 1 UNL111111111 0.1911 25 H 4.2992 -0.5999 -1.3415 H 1 UNL111111111 0.1819 26 H 4.2732 1.0844 -1.8227 H 1 UNL111111111 0.1670 27 H 2.9326 -0.0737 0.7231 H 1 UNL111111111 0.1824 28 H 3.0109 1.6565 0.3712 H 1 UNL111111111 0.1749 29 HB1 -2.0923 -0.9626 -1.6600 H 1 UNL111111111 0.1529 30 HB2 -0.3978 -1.4583 -1.5749 H 1 UNL111111111 0.1860 31 H 0.5198 0.9555 0.6977 H 1 UNL111111111 0.3395 32 HA 5.4000 1.7152 0.4399 H 1 UNL111111111 0.1476 33 H -1.4622 -3.7008 -0.4923 H 1 UNL111111111 0.1569 34 H -1.9804 -3.7891 1.1979 H 1 UNL111111111 0.1666 35 H -3.7226 -2.4891 -1.0156 H 1 UNL111111111 0.1345 36 H -4.2096 -2.8280 0.6456 H 1 UNL111111111 0.1448 37 H -3.2873 0.9205 -1.5417 H 1 UNL111111111 0.3124 38 H1 6.7253 1.1710 -1.6447 H 1 UNL111111111 0.2634 39 H2 7.5665 0.7136 -0.3043 H 1 UNL111111111 0.2607 40 HA1 -4.5861 2.9545 -1.1726 H 1 UNL111111111 0.1786 41 HA2 -3.4738 3.3837 0.1700 H 1 UNL111111111 0.2084 42 H -3.3973 -4.9728 -1.4315 H 1 UNL111111111 0.1449 43 H -3.8841 -5.3122 0.2345 H 1 UNL111111111 0.1468 44 H -5.0427 -4.6181 -0.9028 H 1 UNL111111111 0.1456 45 H 4.9344 -0.4376 2.9423 H 1 UNL111111111 0.3569 46 H -5.0865 0.0678 1.4959 H 1 UNL111111111 0.3591 @BOND 1 1 14 1 2 1 18 1 3 2 16 2 4 3 17 2 5 4 20 1 6 4 45 1 7 5 20 2 8 6 23 1 9 6 46 1 10 7 23 2 11 8 11 1 12 8 16 am 13 8 31 1 14 9 17 am 15 9 21 1 16 9 37 1 17 10 15 1 18 10 38 1 19 10 39 1 20 11 14 1 21 11 17 1 22 11 24 1 23 12 13 1 24 12 15 1 25 12 25 1 26 12 26 1 27 13 16 1 28 13 27 1 29 13 28 1 30 14 29 1 31 14 30 1 32 15 20 1 33 15 32 1 34 18 19 1 35 18 33 1 36 18 34 1 37 19 22 1 38 19 35 1 39 19 36 1 40 21 23 1 41 21 40 1 42 21 41 1 43 22 42 1 44 22 43 1 45 22 44 1