# Name: # Creating user name: nhuang # Creation time: Mon Dec 1 21:53:44 2003 # Modifying user name: nhuang # Modification time: Mon Dec 1 21:54:15 2003 @MOLECULE **** 26 28 1 0 1 PROTEIN GASTEIGER @DICT PROTEIN PROTEIN @ATOM 1 C5' 19.4510 59.0770 54.6750 C.2 1 ADC435 -0.2333 2 C4' 18.7920 59.8810 53.7830 C.2 1 ADC435 -0.0543 3 C3' 19.7460 60.5350 52.8600 C.2 1 ADC435 0.1514 4 O3' 19.4860 61.1900 51.8740 O.2 1 ADC435 -0.2929 5 C2' 21.0140 59.7020 52.9880 C.3 1 ADC435 -0.0018 6 O2' 22.1180 60.5690 52.7760 O.3 1 ADC435 -0.4156 7 C1' 20.9470 59.1140 54.4550 C.3 1 ADC435 -0.2752 8 N9 21.8080 58.0380 54.9610 N.ar 1 ADC435 -0.2144 9 C8 21.8870 56.7410 54.5250 C.ar 1 ADC435 0.1193 10 N7 22.7950 56.0480 55.1580 N.ar 1 ADC435 -0.2291 11 C5 23.3710 56.9050 56.0830 C.ar 1 ADC435 0.1458 12 C6 24.4020 56.7760 57.0540 C.ar 1 ADC435 0.1349 13 N6 25.0780 55.6140 57.2480 N.3 1 ADC435 -0.2849 14 N1 24.6890 57.8910 57.7950 N.ar 1 ADC435 -0.2221 15 C2 24.0250 59.0400 57.6030 C.ar 1 ADC435 0.1202 16 N3 23.0330 59.2990 56.7180 N.ar 1 ADC435 -0.2144 17 C4 22.7310 58.1820 55.9590 C.ar 1 ADC435 0.1844 18 H1 18.9594 58.4854 55.4459 H 1 ADC435 0.0206 19 H2 17.7122 60.0201 53.7567 H 1 ADC435 0.0623 20 H3 21.0377 58.8764 52.2616 H 1 ADC435 0.0323 21 H4 22.0966 60.8836 51.8799 H 1 ADC435 0.2068 22 H5 21.3045 59.9382 55.0896 H 1 ADC435 -0.2003 23 H6 21.2622 56.3337 53.7384 H 1 ADC435 0.1048 24 H7 25.8802 55.5152 58.0041 H 1 ADC435 0.1254 25 H8 24.3200 59.8679 58.2376 H 1 ADC435 0.1048 26 H9 24.3756 54.8179 57.5215 H 1 ADC435 0.1254 @BOND 1 1 2 2 2 1 7 1 3 2 3 1 4 3 4 2 5 3 5 1 6 5 6 1 7 7 5 1 8 7 8 un 9 8 9 ar 10 8 17 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 11 17 ar 15 12 13 1 16 12 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 1 18 1 21 2 19 1 22 5 20 1 23 6 21 1 24 7 22 1 25 9 23 1 26 13 24 1 27 15 25 1 28 13 26 1 @SUBSTRUCTURE 1 ADC435 17 RESIDUE 1 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17