@MOLECULE 4-amino-l-tryptophan 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.4054 -1.6721 1.0483 N.3 1 UNL1111111111 -0.9929 2 CA -2.0042 -0.4071 0.4364 C.3 1 UNL1111111111 0.3251 3 C -1.2015 -0.6604 -0.8634 C.3 1 UNL1111111111 -0.3001 4 C 0.2087 -0.9622 -0.5376 C.ar 1 UNL1111111111 -0.1506 5 C 0.7518 -2.2348 -0.4993 C.ar 1 UNL1111111111 -0.1891 6 N 2.1113 -2.1506 -0.1726 N.ar 1 UNL1111111111 -0.4770 7 C 2.4377 -0.8112 0.0085 C.ar 1 UNL1111111111 0.3477 8 C 3.6829 -0.2535 0.3370 C.ar 1 UNL1111111111 -0.5994 9 C 3.7377 1.1235 0.4495 C.ar 1 UNL1111111111 0.0511 10 C 2.6076 1.9290 0.2592 C.ar 1 UNL1111111111 -0.6276 11 C 1.3572 1.3708 -0.0539 C.ar 1 UNL1111111111 0.5608 12 N 0.2534 2.1910 -0.1648 N.pl3 1 UNL1111111111 -1.0737 13 C 1.2572 -0.0330 -0.2065 C.ar 1 UNL1111111111 -0.2366 14 C -3.2264 0.4408 0.0897 C.2 1 UNL1111111111 0.1944 15 O -2.8512 1.6578 -0.3817 O.3 1 UNL1111111111 -0.5597 16 OXT -4.3861 0.1460 0.1883 O.2 1 UNL1111111111 -0.3407 17 H1 -2.8400 -1.5456 1.9497 H 1 UNL1111111111 0.3757 18 H2 -3.0136 -2.2174 0.4571 H 1 UNL1111111111 0.4030 19 HA -1.3576 0.1558 1.1719 H 1 UNL1111111111 0.1884 20 H -1.6591 -1.4982 -1.4349 H 1 UNL1111111111 0.1892 21 H -1.2628 0.2159 -1.5445 H 1 UNL1111111111 0.1722 22 H 0.2757 -3.1821 -0.6660 H 1 UNL1111111111 0.2534 23 H 2.7297 -2.9175 -0.0614 H 1 UNL1111111111 0.4229 24 H 4.5532 -0.8744 0.4904 H 1 UNL1111111111 0.2565 25 H 4.6851 1.6057 0.6973 H 1 UNL1111111111 0.1756 26 H 2.7036 3.0027 0.3679 H 1 UNL1111111111 0.2527 27 H 0.3654 3.1796 -0.1789 H 1 UNL1111111111 0.4645 28 H -0.6338 1.8349 -0.4472 H 1 UNL1111111111 0.5161 29 H -3.6015 2.2187 -0.6946 H 1 UNL1111111111 0.3982 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 14 1 6 2 19 1 7 3 4 1 8 3 20 1 9 3 21 1 10 4 5 ar 11 4 13 ar 12 5 6 ar 13 5 22 1 14 6 7 ar 15 6 23 1 16 7 8 ar 17 7 13 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 1 25 11 13 ar 26 12 27 1 27 12 28 1 28 14 15 1 29 14 16 2 30 15 29 1