@MOLECULE 5-methoxy-l-tryptophan 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0814 1.7707 0.1689 O.3 1 UNL1111111111 -0.3190 2 O 1.5455 0.5260 -1.9221 O.3 1 UNL1111111111 -0.5443 3 OXT 1.5437 2.1800 -0.4222 O.2 1 UNL1111111111 -0.5330 4 N -0.3501 -2.9663 -0.1738 N.ar 1 UNL1111111111 -0.3593 5 N 3.9841 0.8695 0.5794 N.3 1 UNL1111111111 -0.6346 6 C 0.8846 -1.2574 0.6762 C.ar 1 UNL1111111111 -0.1508 7 C 2.0139 -0.4669 1.1986 C.3 1 UNL1111111111 -0.2526 8 C -0.4345 -0.7576 0.4069 C.ar 1 UNL1111111111 -0.0028 9 C -1.1886 -1.8480 -0.1278 C.ar 1 UNL1111111111 0.0318 10 CA 2.8317 0.1444 0.0341 C.3 1 UNL1111111111 0.0097 11 C 0.9000 -2.5988 0.3140 C.ar 1 UNL1111111111 -0.0196 12 C -1.0338 0.5008 0.5432 C.ar 1 UNL1111111111 -0.2874 13 C -2.5292 -1.7065 -0.5202 C.ar 1 UNL1111111111 -0.1449 14 C -2.3486 0.6226 0.1368 C.ar 1 UNL1111111111 0.2243 15 C -3.1054 -0.4638 -0.3857 C.ar 1 UNL1111111111 -0.2080 16 C 1.9077 1.0785 -0.7438 C.2 1 UNL1111111111 0.5948 17 C -2.4203 2.9394 0.6323 C.3 1 UNL1111111111 -0.2004 18 H 1.6543 0.3362 1.8782 H 1 UNL1111111111 0.1639 19 H 2.6954 -1.0883 1.8209 H 1 UNL1111111111 0.1708 20 HA 3.2031 -0.6761 -0.6375 H 1 UNL1111111111 0.1776 21 H 1.7078 -3.3044 0.3674 H 1 UNL1111111111 0.1628 22 H -0.6092 -3.8639 -0.5031 H 1 UNL1111111111 0.3098 23 H -0.4612 1.3318 0.9425 H 1 UNL1111111111 0.1793 24 H -3.0852 -2.5498 -0.9181 H 1 UNL1111111111 0.1570 25 H -4.1392 -0.2824 -0.6741 H 1 UNL1111111111 0.1732 26 H1 3.7097 1.6374 1.1754 H 1 UNL1111111111 0.2654 27 H2 4.6035 1.2099 -0.1377 H 1 UNL1111111111 0.2574 28 H 0.8729 1.0516 -2.4233 H 1 UNL1111111111 0.3554 29 H -3.1980 3.7060 0.5230 H 1 UNL1111111111 0.1479 30 H -1.5542 3.1784 0.0043 H 1 UNL1111111111 0.1419 31 H -2.1297 2.8305 1.6817 H 1 UNL1111111111 0.1338 @BOND 1 1 14 1 2 1 17 1 3 2 16 1 4 2 28 1 5 3 16 2 6 4 9 ar 7 4 11 ar 8 4 22 1 9 5 10 1 10 5 26 1 11 5 27 1 12 6 7 1 13 6 8 ar 14 6 11 ar 15 7 10 1 16 7 18 1 17 7 19 1 18 8 9 ar 19 8 12 ar 20 9 13 ar 21 10 16 1 22 10 20 1 23 11 21 1 24 12 14 ar 25 12 23 1 26 13 15 ar 27 13 24 1 28 14 15 ar 29 15 25 1 30 17 29 1 31 17 30 1 32 17 31 1