@MOLECULE histidylglycine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4511 -0.9300 1.4386 O.2 1 HIS1111111111 -0.4799 2 O 1.8804 1.4552 -0.7271 O.3 2 GLY2222222222 -0.5575 3 OXT 3.7891 1.7628 0.3931 O.2 2 GLY2222222222 -0.4943 4 N -0.5082 -3.2936 -0.3889 N.3 1 HIS1111111111 -0.6453 5 ND1 -2.8769 0.7978 0.9195 N.ar 1 HIS1111111111 -0.3582 6 N 1.7041 -1.1006 -0.4473 N.am 2 GLY2222222222 -0.5828 7 NE2 -2.2442 2.2382 -0.6853 N.ar 1 HIS1111111111 -0.3601 8 CA -0.6503 -1.8313 -0.5409 C.3 1 HIS1111111111 -0.0105 9 CB -1.9865 -1.3959 0.0896 C.3 1 HIS1111111111 -0.2820 10 CG -2.1850 0.0596 -0.0442 C.ar 1 HIS1111111111 0.0085 11 C 0.5069 -1.2085 0.2665 C.2 1 HIS1111111111 0.5737 12 CD2 -1.8038 0.9718 -1.0331 C.ar 1 HIS1111111111 -0.1018 13 CA 2.8432 -0.4790 0.2175 C.3 2 GLY2222222222 -0.1403 14 CE1 -2.8877 2.1271 0.4854 C.ar 1 HIS1111111111 0.0730 15 C 2.9295 1.0179 0.0066 C.2 2 GLY2222222222 0.6095 16 HA -0.6168 -1.4971 -1.6086 H 1 HIS1111111111 0.1293 17 HB1 -2.8336 -1.9424 -0.3816 H 1 HIS1111111111 0.1639 18 HB2 -1.9836 -1.7205 1.1601 H 1 HIS1111111111 0.1923 19 H1 0.3861 -3.6252 -0.7110 H 1 HIS1111111111 0.2630 20 H2 -1.2495 -3.8030 -0.8354 H 1 HIS1111111111 0.2606 21 H 1.6923 -1.0297 -1.4531 H 2 GLY2222222222 0.3090 22 HD1 -3.2322 0.4357 1.7747 H 1 HIS1111111111 0.3159 23 HD2 -1.2653 0.8108 -1.9440 H 1 HIS1111111111 0.1743 24 HA1 3.7869 -0.9615 -0.1367 H 2 GLY2222222222 0.1762 25 HA2 2.7875 -0.6760 1.3255 H 2 GLY2222222222 0.2095 26 HE1 -3.3655 2.9222 1.0288 H 1 HIS1111111111 0.1869 27 H 1.8177 2.4418 -0.8009 H 2 GLY2222222222 0.3671 @BOND 1 1 11 2 2 2 15 1 3 2 27 1 4 3 15 2 5 4 8 1 6 4 19 1 7 4 20 1 8 5 10 ar 9 5 14 ar 10 5 22 1 11 6 11 am 12 6 13 1 13 6 21 1 14 7 12 ar 15 7 14 ar 16 8 9 1 17 8 11 1 18 8 16 1 19 9 10 1 20 9 17 1 21 9 18 1 22 10 12 ar 23 12 23 1 24 13 15 1 25 13 24 1 26 13 25 1 27 14 26 1