@MOLECULE 1-formyl-l-tryptophan 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.0549 -1.0619 1.4773 N.3 1 UNL111111111 -0.9747 2 CA -2.2495 -0.0847 0.3974 C.3 1 UNL111111111 0.3081 3 C -1.4489 -0.3808 -0.8995 C.3 1 UNL111111111 -0.6432 4 C -0.0062 -0.3795 -0.5930 C.ar 1 UNL111111111 0.0012 5 C 0.8218 -1.4694 -0.4718 C.ar 1 UNL111111111 -0.3820 6 N 2.1225 -1.0423 -0.1041 N.ar 1 UNL111111111 0.0834 7 C 2.1044 0.3664 -0.0042 C.ar 1 UNL111111111 0.0910 8 C 3.1188 1.2633 0.3285 C.ar 1 UNL111111111 -0.3631 9 C 2.7910 2.6129 0.3459 C.ar 1 UNL111111111 -0.1221 10 C 1.4949 3.0594 0.0395 C.ar 1 UNL111111111 -0.2332 11 C 0.4843 2.1660 -0.2893 C.ar 1 UNL111111111 -0.1828 12 C 0.7809 0.8057 -0.3108 C.ar 1 UNL111111111 -0.0539 13 C -3.7246 -0.0970 0.0376 C.2 1 UNL111111111 0.2396 14 C 3.2188 -1.9001 0.1046 C.2 1 UNL111111111 -0.0159 15 O 3.0660 -3.0884 -0.0191 O.2 1 UNL111111111 -0.1956 16 O -4.4409 -1.0401 -0.1587 O.2 1 UNL111111111 -0.3054 17 OXT -4.1776 1.1751 -0.0935 O.3 1 UNL111111111 -0.4862 18 H1 -1.0773 -1.1440 1.7176 H 1 UNL111111111 0.3996 19 H2 -2.4171 -1.9760 1.2409 H 1 UNL111111111 0.4158 20 HA -1.9545 0.9265 0.7989 H 1 UNL111111111 0.1922 21 H -1.7722 -1.3482 -1.3396 H 1 UNL111111111 0.2586 22 H -1.6843 0.3863 -1.6700 H 1 UNL111111111 0.2399 23 H 0.6256 -2.5206 -0.6137 H 1 UNL111111111 0.3287 24 H 4.1231 0.9302 0.5646 H 1 UNL111111111 0.2452 25 H 3.5558 3.3466 0.6019 H 1 UNL111111111 0.1769 26 H 1.2852 4.1278 0.0622 H 1 UNL111111111 0.1756 27 H -0.5190 2.5151 -0.5275 H 1 UNL111111111 0.2045 28 H 4.1612 -1.4077 0.3766 H 1 UNL111111111 0.2464 29 HXT -5.1385 1.2365 -0.3157 H 1 UNL111111111 0.3516 @BOND 1 1 2 1 2 1 18 1 3 1 19 1 4 2 3 1 5 2 13 1 6 2 20 1 7 3 4 1 8 3 21 1 9 3 22 1 10 4 5 ar 11 4 12 ar 12 5 6 ar 13 5 23 1 14 6 7 ar 15 6 14 am 16 7 8 ar 17 7 12 ar 18 8 9 ar 19 8 24 1 20 9 10 ar 21 9 25 1 22 10 11 ar 23 10 26 1 24 11 12 ar 25 11 27 1 26 13 16 2 27 13 17 1 28 14 15 2 29 14 28 1 30 17 29 1