@MOLECULE n-formyl-l-valylglycine 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4138 -0.0585 1.6158 O.2 1 VAL1111111111 -0.5203 2 O 2.3600 2.4677 -0.5394 O.2 0 UNK0 -0.5332 3 O -2.7425 1.1635 -0.7944 O.3 2 GLY2 -0.5513 4 OXT -4.5704 0.1751 0.0281 O.2 2 GLY2 -0.4941 5 N 2.0445 0.6998 0.8269 N.am 1 VAL1 -0.5852 6 N -1.0954 -0.7869 -0.4243 N.am 2 GLY2 -0.5731 7 CB 1.8453 -1.3571 -0.6044 C.3 1 VAL1 -0.0759 8 CA 1.2299 0.0052 -0.1628 C.3 1 VAL1 -0.0210 9 CG1 3.1785 -1.1126 -1.3094 C.3 1 VAL1 -0.4504 10 CG2 2.0137 -2.3276 0.5691 C.3 1 VAL1 -0.4561 11 C -0.1611 -0.2354 0.4445 C.2 1 VAL1 0.5510 12 CA -2.4462 -1.0136 0.0684 C.3 2 GLY2 -0.1393 13 C 2.5465 1.9580 0.5468 C.2 0 UNK0 0.4772 14 C -3.3932 0.1322 -0.2057 C.2 2 GLY2 0.6089 15 HB 1.1403 -1.8245 -1.3403 H 1 VAL1 0.1368 16 HA 1.1264 0.6609 -1.0780 H 1 VAL1 0.1941 17 HG11 3.0802 -0.3919 -2.1313 H 1 VAL1 0.1538 18 HG12 3.9302 -0.7081 -0.6217 H 1 VAL1 0.1558 19 HG13 3.5768 -2.0441 -1.7271 H 1 VAL1 0.1458 20 HG21 1.0658 -2.5074 1.0926 H 1 VAL1 0.1534 21 HG22 2.3791 -3.3009 0.2193 H 1 VAL1 0.1493 22 HG23 2.7348 -1.9581 1.3065 H 1 VAL1 0.1488 23 H 2.0486 0.3076 1.7568 H 1 VAL1 0.3238 24 H -0.9925 -0.6859 -1.4236 H 2 GLY2 0.3165 25 HA1 -2.4232 -1.1966 1.1801 H 2 GLY2 0.2093 26 HA2 -2.8521 -1.9479 -0.3898 H 2 GLY2 0.1779 27 H 3.1308 2.4305 1.3494 H 0 UNK0 0.1365 28 H -3.3069 1.9669 -0.9236 H 2 GLY2 0.3609 @BOND 1 1 11 2 2 2 13 2 3 3 14 1 4 3 28 1 5 4 14 2 6 5 8 1 7 5 13 am 8 5 23 1 9 6 11 am 10 6 12 1 11 6 24 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 15 1 16 8 11 1 17 8 16 1 18 9 17 1 19 9 18 1 20 9 19 1 21 10 20 1 22 10 21 1 23 10 22 1 24 12 14 1 25 12 25 1 26 12 26 1 27 13 27 1