@MOLECULE d-tryptophan; h-d-trp-oh 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6777 -0.3925 1.6930 O.3 1 TRP1111111111 -0.5628 2 OXT 3.7654 -1.3929 0.0221 O.2 1 TRP1111111111 -0.5126 3 NE1 -1.8256 2.0166 0.2582 N.pl3 1 TRP1111111111 -0.5215 4 N 3.1517 0.7888 -1.6968 N.3 1 TRP1111111111 -0.6247 5 CG -0.0041 0.3790 0.3695 C.3 1 TRP1111111111 -0.1188 6 CD1 -0.3701 1.8914 0.5579 C.3 1 TRP1111111111 -0.1048 7 CB 0.9499 0.1620 -0.8068 C.3 1 TRP1111111111 -0.2904 8 CD2 -1.3372 -0.2649 0.1131 C.ar 1 TRP1111111111 -0.1250 9 CE2 -2.3556 0.7207 0.1178 C.ar 1 TRP1111111111 0.2001 10 CA 2.3919 0.5790 -0.4594 C.3 1 TRP1111111111 0.0045 11 CE3 -1.6516 -1.5908 -0.0919 C.ar 1 TRP1111111111 -0.1029 12 CZ2 -3.6900 0.3797 -0.0739 C.ar 1 TRP1111111111 -0.2688 13 CZ3 -2.9945 -1.9407 -0.2930 C.ar 1 TRP1111111111 -0.2189 14 C 3.0279 -0.5185 0.3908 C.2 1 TRP1111111111 0.5786 15 CH2 -3.9913 -0.9694 -0.2840 C.ar 1 TRP1111111111 -0.0850 16 HG 0.4442 -0.0238 1.3091 H 1 TRP1111111111 0.1670 17 HD11 -0.1285 2.2343 1.5796 H 1 TRP1111111111 0.1263 18 HD12 0.1755 2.5370 -0.1616 H 1 TRP1111111111 0.1562 19 HB1 0.6037 0.7476 -1.6891 H 1 TRP1111111111 0.1852 20 HB2 0.9159 -0.8942 -1.1389 H 1 TRP1111111111 0.1573 21 HE1 -2.3390 2.6807 0.8128 H 1 TRP1111111111 0.2873 22 HA 2.3864 1.5439 0.1184 H 1 TRP1111111111 0.1759 23 HE3 -0.8798 -2.3570 -0.0938 H 1 TRP1111111111 0.1519 24 HZ2 -4.4699 1.1316 -0.0731 H 1 TRP1111111111 0.1616 25 HZ3 -3.2554 -2.9830 -0.4553 H 1 TRP1111111111 0.1534 26 HH2 -5.0295 -1.2613 -0.4420 H 1 TRP1111111111 0.1483 27 H1 3.1810 -0.0380 -2.2766 H 1 TRP1111111111 0.2659 28 H2 4.0946 1.1000 -1.5246 H 1 TRP1111111111 0.2589 29 H 3.0577 -1.0906 2.2825 H 1 TRP1111111111 0.3580 @BOND 1 1 14 1 2 1 29 1 3 2 14 2 4 3 6 1 5 3 9 1 6 3 21 1 7 4 10 1 8 4 27 1 9 4 28 1 10 5 6 1 11 5 7 1 12 5 8 1 13 5 16 1 14 6 17 1 15 6 18 1 16 7 10 1 17 7 19 1 18 7 20 1 19 8 9 ar 20 8 11 ar 21 9 12 ar 22 10 14 1 23 10 22 1 24 11 13 ar 25 11 23 1 26 12 15 ar 27 12 24 1 28 13 15 ar 29 13 25 1 30 15 26 1