@MOLECULE l-gamma-glutamylglycine 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9771 -1.8845 0.4103 O.2 1 UNL111111111111111 -0.5245 2 O 2.8287 1.6461 -1.0171 O.3 1 UNL111111111111111 -0.5750 3 OXT 3.4833 1.4750 1.1092 O.2 1 UNL111111111111111 -0.4872 4 O -3.2678 1.6563 0.0454 O.3 1 UNL111111111111111 -0.5708 5 O -4.8191 0.3689 0.9993 O.2 1 UNL111111111111111 -0.4815 6 N 4.1222 -1.2273 0.5369 N.3 1 UNL111111111111111 -0.6395 7 N -1.8674 -0.3188 -0.9574 N.am 1 UNL111111111111111 -0.5849 8 C 1.6210 -1.0064 0.2094 C.3 1 UNL111111111111111 -0.3055 9 CA 3.0389 -0.5569 -0.1977 C.3 1 UNL111111111111111 -0.0065 10 C 0.5717 -0.4570 -0.7567 C.3 1 UNL111111111111111 -0.3594 11 C -0.7944 -0.9555 -0.3468 C.2 1 UNL111111111111111 0.5908 12 C 3.1710 0.9306 0.0870 C.2 1 UNL111111111111111 0.6266 13 C -3.2221 -0.6439 -0.5365 C.3 1 UNL111111111111111 -0.1378 14 C -3.8710 0.4605 0.2696 C.2 1 UNL111111111111111 0.6083 15 H 1.3895 -0.6961 1.2494 H 1 UNL111111111111111 0.1693 16 H 1.5656 -2.1161 0.2305 H 1 UNL111111111111111 0.1731 17 HA 3.2069 -0.7519 -1.2947 H 1 UNL111111111111111 0.1809 18 H 0.7875 -0.7842 -1.7968 H 1 UNL111111111111111 0.1764 19 H 0.6083 0.6528 -0.7826 H 1 UNL111111111111111 0.1778 20 H1 4.0516 -2.2305 0.4882 H 1 UNL111111111111111 0.2635 21 H2 4.1756 -0.9342 1.5028 H 1 UNL111111111111111 0.2712 22 H -1.7503 0.5451 -1.4664 H 1 UNL111111111111111 0.3215 23 H -3.2264 -1.5898 0.0779 H 1 UNL111111111111111 0.2149 24 H -3.8574 -0.8540 -1.4345 H 1 UNL111111111111111 0.1766 25 H 2.9216 2.6236 -0.9026 H 1 UNL111111111111111 0.3583 26 H -3.6589 2.4009 0.5682 H 1 UNL111111111111111 0.3634 @BOND 1 1 11 2 2 2 12 1 3 2 25 1 4 3 12 2 5 4 14 1 6 4 26 1 7 5 14 2 8 6 9 1 9 6 20 1 10 6 21 1 11 7 11 am 12 7 13 1 13 7 22 1 14 8 9 1 15 8 10 1 16 8 15 1 17 8 16 1 18 9 12 1 19 9 17 1 20 10 11 1 21 10 18 1 22 10 19 1 23 13 14 1 24 13 23 1 25 13 24 1