@MOLECULE 2-hydroxytryptophan 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.0954 -0.9220 1.3553 N.3 1 UNL111111111 -0.6275 2 CA -1.9604 0.2474 0.4688 C.3 1 UNL111111111 -0.0009 3 C -1.1537 -0.0144 -0.8360 C.3 1 UNL111111111 -0.2802 4 C 0.2130 -0.4463 -0.5041 C.ar 1 UNL111111111 -0.2277 5 C 0.6538 -1.7427 -0.2817 C.ar 1 UNL111111111 0.3280 6 O 0.0139 -2.9296 -0.2684 O.3 1 UNL111111111 -0.4680 7 N 2.0065 -1.7780 0.0508 N.ar 1 UNL111111111 -0.4085 8 C 2.4532 -0.4480 0.0818 C.ar 1 UNL111111111 0.0926 9 C 3.7204 0.0578 0.3835 C.ar 1 UNL111111111 -0.1980 10 C 3.8844 1.4307 0.3126 C.ar 1 UNL111111111 -0.1232 11 C 2.8198 2.2808 -0.0463 C.ar 1 UNL111111111 -0.1765 12 C 1.5619 1.7817 -0.3421 C.ar 1 UNL111111111 -0.1193 13 C 1.3567 0.4014 -0.2811 C.ar 1 UNL111111111 -0.0354 14 C -3.3570 0.6737 0.0527 C.2 1 UNL111111111 0.6223 15 O -4.2636 -0.0300 -0.3061 O.2 1 UNL111111111 -0.5131 16 OXT -3.4736 2.0231 0.0738 O.3 1 UNL111111111 -0.5539 17 H1 -1.2167 -1.4168 1.4315 H 1 UNL111111111 0.2689 18 H2 -2.8029 -1.5656 1.0289 H 1 UNL111111111 0.2605 19 HA -1.4530 1.0585 1.0637 H 1 UNL111111111 0.1902 20 H -1.6785 -0.7630 -1.4646 H 1 UNL111111111 0.1510 21 H -1.1294 0.9164 -1.4449 H 1 UNL111111111 0.1691 22 H -0.6253 -2.9904 -1.0297 H 1 UNL111111111 0.3486 23 H 2.5153 -2.5825 0.3388 H 1 UNL111111111 0.3281 24 H 4.5378 -0.5996 0.6581 H 1 UNL111111111 0.1595 25 H 4.8548 1.8699 0.5386 H 1 UNL111111111 0.1501 26 H 2.9996 3.3535 -0.0890 H 1 UNL111111111 0.1509 27 H 0.7430 2.4426 -0.6167 H 1 UNL111111111 0.1578 28 HXT -4.3678 2.3503 -0.1863 H 1 UNL111111111 0.3543 @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 1 13 5 7 ar 14 6 22 1 15 7 8 ar 16 7 23 1 17 8 9 ar 18 8 13 ar 19 9 10 ar 20 9 24 1 21 10 11 ar 22 10 25 1 23 11 12 ar 24 11 26 1 25 12 13 ar 26 12 27 1 27 14 15 2 28 14 16 1 29 16 28 1