@MOLECULE 5-hydroxy-d-tryptophan 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.0070 0.1919 0.5268 N.3 1 UNL1111111111 -0.6401 2 CA -2.6920 -0.2439 0.0345 C.3 1 UNL1111111111 0.0007 3 C -1.7429 -0.7632 1.1450 C.3 1 UNL1111111111 -0.2965 4 C -0.4759 -1.2500 0.5691 C.ar 1 UNL1111111111 -0.1466 5 C -0.2076 -2.5322 0.1045 C.ar 1 UNL1111111111 -0.0230 6 N 1.1014 -2.5968 -0.3626 N.ar 1 UNL1111111111 -0.3583 7 C 1.6908 -1.3389 -0.2031 C.ar 1 UNL1111111111 0.0343 8 C 2.9867 -0.9045 -0.5220 C.ar 1 UNL1111111111 -0.1468 9 C 3.3028 0.4116 -0.2630 C.ar 1 UNL1111111111 -0.2012 10 C 2.3262 1.2687 0.3045 C.ar 1 UNL1111111111 0.2637 11 C 1.0467 0.8647 0.6391 C.ar 1 UNL1111111111 -0.2913 12 C 0.7149 -0.4702 0.3822 C.ar 1 UNL1111111111 0.0009 13 C -2.0488 0.9784 -0.6036 C.2 1 UNL1111111111 0.6496 14 O -1.7948 2.0322 -0.0816 O.2 1 UNL1111111111 -0.5279 15 OXT -1.7601 0.7388 -1.9021 O.3 1 UNL1111111111 -0.5411 16 O 2.7583 2.5457 0.4962 O.3 1 UNL1111111111 -0.4753 17 H1 -3.9401 0.9584 1.1813 H 1 UNL1111111111 0.2656 18 H2 -4.5279 -0.5630 0.9401 H 1 UNL1111111111 0.2585 19 HA -2.8509 -1.0436 -0.7398 H 1 UNL1111111111 0.1802 20 H -1.5463 0.0464 1.8833 H 1 UNL1111111111 0.1690 21 H -2.2514 -1.5662 1.7169 H 1 UNL1111111111 0.1530 22 H -0.8530 -3.3900 0.0754 H 1 UNL1111111111 0.1628 23 H 1.5448 -3.3930 -0.7524 H 1 UNL1111111111 0.3113 24 H 3.7104 -1.5856 -0.9588 H 1 UNL1111111111 0.1570 25 H 4.2875 0.8185 -0.4849 H 1 UNL1111111111 0.1767 26 H 0.3167 1.5444 1.0692 H 1 UNL1111111111 0.1816 27 H 2.0362 3.1267 0.8401 H 1 UNL1111111111 0.3301 28 HXT -1.3049 1.4928 -2.3540 H 1 UNL1111111111 0.3533 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 13 1 6 2 19 1 7 3 4 1 8 3 20 1 9 3 21 1 10 4 5 ar 11 4 12 ar 12 5 6 ar 13 5 22 1 14 6 7 ar 15 6 23 1 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 16 1 24 11 12 ar 25 11 26 1 26 13 14 2 27 13 15 1 28 16 27 1 29 28 15 1