@MOLECULE n-acetyl-d-tryptophan 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1363 1.0677 -0.0390 O.3 1 TRP1111 -0.5575 2 OXT 3.6353 -0.5799 -1.4591 O.2 1 TRP1111 -0.5025 3 O 0.7221 -0.9233 2.2704 O.2 0 UNK0 -0.5294 4 NE1 -2.0601 1.8064 1.1852 N.ar 1 TRP1 -0.3691 5 N 1.3461 -1.0831 0.0997 N.am 1 TRP1 -0.6103 6 CB 1.0821 1.2727 -0.7076 C.3 1 TRP1 -0.2793 7 CG -0.2838 1.3293 -0.1535 C.ar 1 TRP1 -0.1161 8 CA 1.9286 0.2520 0.1011 C.3 1 TRP1 0.0374 9 CD2 -1.3964 0.5279 -0.5885 C.ar 1 TRP1 -0.0737 10 CE2 -2.4909 0.8353 0.2823 C.ar 1 TRP1 0.0986 11 CD1 -0.7175 2.0894 0.9219 C.ar 1 TRP1 -0.0154 12 CE3 -1.5764 -0.4178 -1.6031 C.ar 1 TRP1 -0.1229 13 CZ2 -3.7349 0.2014 0.1608 C.ar 1 TRP1 -0.2081 14 C 3.2918 0.1503 -0.5697 C.2 1 TRP1 0.6092 15 CZ3 -2.8038 -1.0433 -1.7178 C.ar 1 TRP1 -0.1965 16 CH2 -3.8694 -0.7387 -0.8429 C.ar 1 TRP1 -0.1184 17 C 0.6655 -1.5361 1.2267 C.2 0 UNK0 0.6260 18 C -0.0884 -2.8210 1.0442 C.3 0 UNK0 -0.5318 19 HB1 1.0580 0.9919 -1.7820 H 1 TRP1 0.1617 20 HB2 1.5741 2.2686 -0.6684 H 1 TRP1 0.1672 21 HA 2.0404 0.6158 1.1667 H 1 TRP1 0.2107 22 HD1 -0.1728 2.7967 1.5206 H 1 TRP1 0.1712 23 HE1 -2.5936 2.1717 1.9384 H 1 TRP1 0.3150 24 H 1.2326 -1.5267 -0.7996 H 1 TRP1 0.3196 25 HE3 -0.7625 -0.6437 -2.2872 H 1 TRP1 0.1508 26 HZ2 -4.5532 0.4415 0.8305 H 1 TRP1 0.1590 27 HZ3 -2.9668 -1.7824 -2.4993 H 1 TRP1 0.1523 28 HH2 -4.8171 -1.2600 -0.9730 H 1 TRP1 0.1506 29 H -0.4720 -3.1761 2.0147 H 0 UNK0 0.1877 30 H -0.9604 -2.6779 0.3876 H 0 UNK0 0.1812 31 H 0.5338 -3.6203 0.6224 H 0 UNK0 0.1771 32 H 5.0426 1.0537 -0.4342 H 1 TRP1 0.3556 @BOND 1 1 14 1 2 1 32 1 3 2 14 2 4 3 17 2 5 4 10 ar 6 4 11 ar 7 4 23 1 8 5 8 1 9 5 17 am 10 5 24 1 11 6 7 1 12 6 8 1 13 6 19 1 14 6 20 1 15 7 9 ar 16 7 11 ar 17 8 14 1 18 8 21 1 19 9 10 ar 20 9 12 ar 21 10 13 ar 22 11 22 1 23 12 15 ar 24 12 25 1 25 13 16 ar 26 13 26 1 27 15 16 ar 28 15 27 1 29 16 28 1 30 17 18 1 31 18 29 1 32 18 30 1 33 18 31 1