# Name: # Creating user name: nhuang # Creation time: Thu Dec 4 23:11:42 2003 # Modifying user name: nhuang # Modification time: Thu Dec 4 23:17:12 2003 @MOLECULE **** 18 19 1 0 4 PROTEIN GASTEIGER @DICT PROTEIN PROTEIN @ATOM 1 N1 -4.3220 30.5500 21.0110 N.ar 1 MTX2 -0.1962 2 C2 -4.3940 29.3550 21.7390 C.ar 1 MTX2 0.2023 3 N2 -5.6450 28.8070 21.8600 N.3 1 MTX2 -0.2705 4 N3 -3.2880 28.7830 22.2520 N.ar 1 MTX2 -0.2041 5 C4 -2.0190 29.2740 22.2340 C.ar 1 MTX2 0.1365 6 N4 -0.9740 28.7080 22.7850 N.3 1 MTX2 -0.2849 7 C4A -1.9330 30.5690 21.5330 C.ar 1 MTX2 0.1441 8 N5 -0.7580 31.2350 21.4960 N.ar 1 MTX2 -0.2472 9 C6 -0.7650 32.4050 20.8420 C.ar 1 MTX2 0.0466 10 C7 -1.9440 32.8030 20.2170 C.ar 1 MTX2 0.0481 11 N8 -3.0540 32.3240 20.2350 N.ar 1 MTX2 -0.2328 12 C8A -3.0830 31.1160 20.8980 C.ar 1 MTX2 0.1845 13 H6 0.1234 33.0248 20.8007 H 1 MTX2 0.0845 14 H1 -6.3597 29.4501 21.3680 H 1 MTX2 0.1268 15 H2 -5.6675 27.8338 21.3924 H 1 MTX2 0.1268 16 H3 -0.1057 29.3255 22.6085 H 1 MTX2 0.1254 17 H4 -1.1261 28.6113 23.8498 H 1 MTX2 0.1254 18 H5 -1.8505 33.6961 19.6098 H 1 MTX2 0.0846 @BOND 1 9 13 1 2 1 2 ar 3 12 1 ar 4 2 3 1 5 4 2 ar 6 5 4 ar 7 5 6 1 8 7 5 ar 9 8 7 ar 10 7 12 ar 11 9 8 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 3 14 1 16 3 15 1 17 6 16 1 18 6 17 1 19 10 18 1 @SUBSTRUCTURE 1 MTX2 9 RESIDUE 1 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 29 1 2 3 4 5 6 7 8 9 10 11 12 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 LAB$A_ID STATIC ATOMS LABELGROUP SYSTEM 33 1 2 3 4 5 6 7 8 9 10 11 12 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LAB$A_USER STATIC ATOMS LABELGROUP SYSTEM 33 1 2 3 4 5 6 7 8 9 10 11 12 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LAB$A_TYPE STATIC ATOMS LABELGROUP SYSTEM 33 1 2 3 4 5 6 7 8 9 10 11 12 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0