# Name: # Creating user name: austin # Creation time: Wed Mar 26 19:12:34 2003 # Modifying user name: austin # Modification time: Wed Mar 26 19:17:59 2003 @MOLECULE **** 34 36 1 0 1 PROTEIN GASTEIGER @DICT PROTEIN PROTEIN @ATOM 1 O5' 21.7480 90.5640 76.5980 O.3 1 IMH600 -0.3894 2 C5' 21.5380 89.1540 76.4120 C.3 1 IMH600 0.0893 3 C4' 20.2210 88.7130 75.6980 C.3 1 IMH600 0.0308 4 N4' 20.0680 89.7020 74.6260 N.4 1 IMH600 0.2402 5 C3' 20.1890 87.3530 74.9510 C.3 1 IMH600 0.1310 6 O3' 18.8590 86.7640 74.8620 O.3 1 IMH600 -0.3833 7 C2' 20.7010 87.6800 73.4910 C.3 1 IMH600 0.1330 8 O2' 19.8950 87.0710 72.4580 O.3 1 IMH600 -0.3830 9 C1' 20.6180 89.2150 73.3680 C.3 1 IMH600 0.0358 10 C9 22.0500 89.9520 73.1120 C.2 1 IMH600 0.0404 11 C8 22.2840 91.2710 73.2430 C.2 1 IMH600 -0.0066 12 N7 23.6620 91.5480 72.9460 N.3 1 IMH600 -0.2586 13 C5 24.2050 90.2850 72.6460 C.2 1 IMH600 0.1050 14 C6 25.6000 90.0060 72.2640 C.2 1 IMH600 0.2495 15 O6 26.5378 90.7843 72.2078 O.2 1 IMH600 -0.2725 16 N1 25.7420 88.6250 72.0150 N.3 1 IMH600 -0.2139 17 C2 24.7180 87.6480 72.1050 C.2 1 IMH600 0.0769 18 N3 23.4910 87.9970 72.4590 N.2 1 IMH600 -0.2413 19 C4 23.2780 89.3130 72.7160 C.2 1 IMH600 0.0973 20 H1 22.5781 90.6974 77.0403 H 1 IMH600 0.2097 21 H2 22.3729 88.7652 75.8106 H 1 IMH600 0.0614 22 H3 21.5376 88.6794 77.4043 H 1 IMH600 0.0614 23 H4 19.3882 88.7325 76.4163 H 1 IMH600 0.0900 24 H5 19.0886 89.8976 74.4900 H 1 IMH600 0.2025 25 H6 20.5553 90.5471 74.8798 H 1 IMH600 0.2025 26 H7 20.8706 86.6396 75.4373 H 1 IMH600 0.0679 27 H8 18.9168 85.9388 74.3950 H 1 IMH600 0.2102 28 H9 21.7452 87.3542 73.3756 H 1 IMH600 0.0682 29 H10 20.2524 87.3040 71.6092 H 1 IMH600 0.2102 30 H11 19.9534 89.4759 72.5313 H 1 IMH600 0.0931 31 H12 21.5421 92.0146 73.5303 H 1 IMH600 0.0751 32 H13 23.7527 92.2057 72.0942 H 1 IMH600 0.1332 33 H14 26.1007 88.5493 70.9992 H 1 IMH600 0.1375 34 H15 24.9420 86.6059 71.8819 H 1 IMH600 0.0964 @BOND 1 2 1 1 2 3 2 1 3 4 3 1 4 5 3 1 5 9 4 1 6 5 6 1 7 7 5 1 8 7 8 1 9 9 7 1 10 10 9 1 11 10 11 2 12 19 10 1 13 11 12 1 14 12 13 1 15 13 14 1 16 13 19 2 17 14 15 2 18 14 16 1 19 16 17 1 20 17 18 2 21 18 19 1 22 1 20 1 23 2 21 1 24 2 22 1 25 3 23 1 26 4 24 1 27 4 25 1 28 5 26 1 29 6 27 1 30 7 28 1 31 8 29 1 32 9 30 1 33 11 31 1 34 12 32 1 35 16 33 1 36 17 34 1 @SUBSTRUCTURE 1 IMH600 19 RESIDUE 1 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19