@MOLECULE l-methionyl-l-glutamic acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 SD -4.1569 -1.1943 0.6233 S.3 1 MET11111111111 0.0029 2 O -0.8259 1.6722 -1.7609 O.2 1 MET11111111111 -0.5352 3 O 0.6893 -1.9987 0.6806 O.3 2 GLU22222222222 -0.5901 4 OXT 0.9079 -2.6967 -1.4250 O.2 2 GLU22222222222 -0.4629 5 OE1 4.8787 0.5819 1.7897 O.3 2 GLU22222222222 -0.5706 6 OE2 5.1938 0.3094 -0.3992 O.2 2 GLU22222222222 -0.4983 7 N 0.0658 0.4662 -0.0705 N.am 2 GLU22222222222 -0.6059 8 N -2.4119 3.2629 -0.1841 N.3 1 MET11111111111 -0.6098 9 CA 0.9303 -0.2930 -0.9682 C.3 2 GLU22222222222 0.0311 10 CA -1.6951 2.1462 0.4421 C.3 1 MET11111111111 -0.0252 11 CB 2.4031 0.1522 -0.8783 C.3 2 GLU22222222222 -0.2781 12 CB -2.6912 1.1459 1.0657 C.3 1 MET11111111111 -0.2806 13 C -0.7960 1.4190 -0.5750 C.2 1 MET11111111111 0.5242 14 CG 2.9516 0.1277 0.5469 C.3 2 GLU22222222222 -0.3449 15 CG -3.5307 0.4178 0.0191 C.3 1 MET11111111111 -0.3345 16 C 0.8425 -1.7817 -0.6549 C.2 2 GLU22222222222 0.5986 17 CD 4.4319 0.3378 0.5290 C.2 2 GLU22222222222 0.6429 18 CE -2.7591 -2.3096 0.2809 C.3 1 MET11111111111 -0.5040 19 HA 0.5759 -0.1451 -2.0392 H 2 GLU22222222222 0.2101 20 HA -1.0500 2.5812 1.2551 H 1 MET11111111111 0.1634 21 HB1 3.0245 -0.4869 -1.5465 H 2 GLU22222222222 0.1803 22 HB2 2.4946 1.1764 -1.3026 H 2 GLU22222222222 0.1754 23 HB1 -3.3584 1.7072 1.7594 H 1 MET11111111111 0.1752 24 HB2 -2.1364 0.4390 1.7119 H 1 MET11111111111 0.1480 25 H 0.0906 0.2167 0.9059 H 2 GLU22222222222 0.3269 26 HG1 2.7232 -0.8372 1.0571 H 2 GLU22222222222 0.1935 27 HG2 2.4654 0.9045 1.1771 H 2 GLU22222222222 0.1848 28 HG1 -4.4241 1.0170 -0.2488 H 1 MET11111111111 0.1712 29 HG2 -2.9772 0.2692 -0.9267 H 1 MET11111111111 0.1655 30 H1 -3.0701 2.9459 -0.8821 H 1 MET11111111111 0.2602 31 H2 -1.7768 3.9136 -0.6295 H 1 MET11111111111 0.2625 32 H 0.6405 -2.9546 0.9279 H 2 GLU22222222222 0.3654 33 HE1 -3.0030 -3.2974 0.6917 H 1 MET11111111111 0.1732 34 HE2 -1.8303 -1.9661 0.7442 H 1 MET11111111111 0.1584 35 HE3 -2.5894 -2.4280 -0.7954 H 1 MET11111111111 0.1675 36 HE1 5.8570 0.7167 1.8468 H 2 GLU22222222222 0.3588 @BOND 1 1 15 1 2 1 18 1 3 2 13 2 4 3 16 1 5 3 32 1 6 4 16 2 7 5 17 1 8 5 36 1 9 6 17 2 10 7 9 1 11 7 13 am 12 7 25 1 13 8 10 1 14 8 30 1 15 8 31 1 16 9 11 1 17 9 16 1 18 9 19 1 19 10 12 1 20 10 13 1 21 10 20 1 22 11 14 1 23 11 21 1 24 11 22 1 25 12 15 1 26 12 23 1 27 12 24 1 28 14 17 1 29 14 26 1 30 14 27 1 31 15 28 1 32 15 29 1 33 18 33 1 34 18 34 1 35 18 35 1