-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : small.inp Output file : small.out_GB000 Sidechain potential file : /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- 10-8k SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm Electrostatic potential file : /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm Cumulant coefficient file : /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm Double torsional parameter file : /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm Bending parameter file : /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm Rotamer parameter file : /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm Threading database : /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart -------------------------------------------------------------------------------- time after openunits 1.615799999945011E-002 ### LAST MODIFIED 6/23/05 7:29PM by czarek ++++ Compile info ++++ Version 2.2 build 2853 compiled Wed Mar 28 23:45:50 2007 compiled by mchinchio@matrix OS name: Linux OS release: 2.4.20-28.7smp OS version: #1 SMP Thu Dec 18 11:18:31 EST 2003 flags: FC = mpif90 UNRES_BIN = ${HOME}/UNRES/NEW/bin/unres_REMD_in... OPT = -O3 -w -pc64 -tpp6 -ip FFLAGS = -c ${OPT} FFLAGSE = -c -O3 -w -pc64 -tpp6 -ipo -ipo_obj -... CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS... LIBS = -Lxdrf -lxdrf objectCSA = unres_CSA.o arcos.o cartprint.o cha... ++++ End of compile info ++++ ntortyp 3 Potential is GB , exponents are 6 12 Disulfide bridge parameters: S-S bridge energy: -5.50 d0cm: 3.78 akcm: 15.10 akth: 11.00 akct: 12.00 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 Random seed: -1111333. -1111333 MPI: node= 0 iseed(4)= 0 0 -16 -62756 ran_num 0.920179675082336 RMSDBC = 3.0 RMSDBC1 = 0.5 RMSDBC1MAX = 1.5 DRMS = 0.1 RMSDBCM = 3.0 Time limit (min): 60.0 RESCALE_MODE 1 Library routine used to diagonalize matrices. =========================== Parameters of the MD run =========================== The units are: positions: angstrom, time: 48.9 fs velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2 energy: kcal/mol, temperature: K Number of time steps: 50000 Initial time step of numerical integration: 0.10000 natural units 4.89000 fs Maximum acceleration threshold to scale down the time step: 5.00000 Maximum predicted energy drift to reduce the timestep: 10.00000 Maximum velocity threshold to reduce velocities: 20.00000 Frequency of property output: 1000 Frequency of coordinate output: 300 Berendsen bath calculation Temperature: 300.00000 Coupling constant (tau): 1.00000 Momenta will be reset at zero every 1000 steps ============================== End of MD run setup ============================= Energy-term weights (unscaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Hydrogen-bonding correlation between contact pairs of peptide groups Scaling factor of 1,4 SC-p interactions: 0.400 General scaling factor of SC-p interactions: 1.000 Energy-term weights (scaled): WSCC= 1.352790 (SC-SC) WSCP= 1.593040 (SC-p) WELEC= 0.715340 (p-p electr) WVDWPP= 0.113710 (p-p VDW) WBOND= 1.000000 (stretching) WANG= 1.138730 (bending) WSCLOC= 0.162580 (SC local) WTOR= 1.985990 (torsional) WTORD= 1.570690 (double torsional) WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) WEL_LOC= 0.160360 (multi-body 3-rd order) WCORR4= 0.428870 (multi-body 4th order) WCORR5= 0.000000 (multi-body 5th order) WCORR6= 0.000000 (multi-body 6th order) WTURN3= 1.687220 (turns, 3rd order) WTURN4= 0.662300 (turns, 4th order) WTURN6= 0.000000 (turns, 6th order) Reference temperature for weights calculation: 300.000000000000 Parameters of the SS-bond potential: D0CM 3.78000000000000 AKCM 11.1621168104436 AKTH 8.13134337184633 AKCT 8.87055640565054 V1SS -0.798350076508549 V2SS 5.62541118725005 V3SS 10.1272185631177 EBR -3.50000000000000 SS_DEPTH -3.98858404983974 HT -1.40133843152500 PDB data will be read from file ss.pdb 1 10 GLY 18.887 -10.163 -10.608 2 9 ALA 18.562 -9.885 -6.834 3 9 ALA 16.754 -11.361 -3.915 4 9 ALA 16.762 -9.897 -0.433 5 1 CYS 15.755 -12.524 2.082 6 9 ALA 15.104 -12.916 5.816 7 9 ALA 12.233 -15.298 5.159 8 9 ALA 12.615 -18.906 4.131 9 9 ALA 9.909 -21.356 3.181 10 9 ALA 10.743 -20.954 -0.478 11 9 ALA 12.566 -23.869 -1.971 12 9 ALA 15.810 -21.927 -1.726 13 9 ALA 18.582 -20.075 0.198 14 1 CYS 19.577 -16.394 -0.296 15 9 ALA 22.406 -14.224 1.116 16 9 ALA 22.651 -10.366 0.632 17 9 ALA 25.991 -8.590 0.178 18 10 GLY 26.757 -7.435 -3.316 Nres: 18 1 10 GLY 18.887 -10.163 -10.608 18.887 -10.163 -10.608 2 9 ALA 18.562 -9.885 -6.834 18.353 -9.134 -6.608 3 9 ALA 16.754 -11.361 -3.915 16.860 -12.098 -3.836 4 9 ALA 16.762 -9.897 -0.433 16.145 -9.572 -0.328 5 1 CYS 15.755 -12.524 2.082 16.051 -13.633 1.487 6 9 ALA 15.104 -12.916 5.816 14.965 -12.382 6.257 7 9 ALA 12.233 -15.298 5.159 11.752 -15.096 4.590 8 9 ALA 12.615 -18.906 4.131 12.996 -18.890 4.861 9 9 ALA 9.909 -21.356 3.181 9.333 -20.985 3.212 10 9 ALA 10.743 -20.954 -0.478 10.850 -20.324 -0.915 11 9 ALA 12.566 -23.869 -1.971 12.731 -24.062 -2.616 12 9 ALA 15.810 -21.927 -1.726 15.774 -21.687 -2.426 13 9 ALA 18.582 -20.075 0.198 19.150 -20.569 0.255 14 1 CYS 19.577 -16.394 -0.296 18.494 -15.682 -0.508 15 9 ALA 22.406 -14.224 1.116 23.137 -14.120 1.199 16 9 ALA 22.651 -10.366 0.632 22.481 -9.688 0.945 17 9 ALA 25.991 -8.590 0.178 26.589 -8.669 0.306 18 10 GLY 26.757 -7.435 -3.316 26.757 -7.435 -3.316 Internal coordinates calculated from crystal structure. Res dvb Theta Phi Dsc_id Dsc Alpha Omega ALA 2 3.798 0.000 0.000 0.743 0.812 126.829 -76.902 ALA 3 3.737 142.050 0.000 0.743 0.749 137.463 -84.306 ALA 4 3.777 124.464 -169.125 0.743 0.705 105.294 -78.108 CYS 5 3.774 110.120 -160.528 1.237 1.293 158.619 -104.565 ALA 6 3.811 140.379 -177.281 0.743 0.706 135.838 -82.329 ALA 7 3.788 91.388 142.499 0.743 0.772 126.337 -76.931 ALA 8 3.771 124.902 75.891 0.743 0.824 113.900 -118.360 ALA 9 3.772 128.130 -174.931 0.743 0.686 107.064 -87.141 ALA 10 3.774 90.943 102.826 0.743 0.774 157.826 -59.303 ALA 11 3.748 114.254 105.902 0.743 0.693 119.632 -54.909 ALA 12 3.789 89.544 -101.667 0.743 0.741 155.157 -110.619 ALA 13 3.849 153.580 60.970 0.743 0.755 140.632 -99.009 CYS 14 3.845 125.646 -120.233 1.237 1.313 150.049 -92.166 ALA 15 3.835 133.262 -173.688 0.743 0.743 134.737 -34.633 ALA 16 3.896 124.125 -171.229 0.743 0.766 131.592 -41.437 ALA 17 3.810 122.109 -144.160 0.743 0.617 138.711 -49.120 nsup= 18 nstart_sup= 1 Contact map: 1 CYS 14 ALA 3 2 CYS 14 CYS 5 ITEL 1 10 1 2 9 1 3 9 1 4 9 1 5 1 1 6 9 1 7 9 1 8 9 1 9 9 1 10 9 1 11 9 1 12 9 1 13 9 1 14 1 1 15 9 1 16 9 1 17 9 1 ns= 2 iss: 5 14 nss= 0 ihpb,jhpb: Boundaries in phi angle sampling: GLY 1 -180.0 180.0 ALA 2 -180.0 180.0 ALA 3 -180.0 180.0 ALA 4 -180.0 180.0 CYS 5 -180.0 180.0 ALA 6 -180.0 180.0 ALA 7 -180.0 180.0 ALA 8 -180.0 180.0 ALA 9 -180.0 180.0 ALA 10 -180.0 180.0 ALA 11 -180.0 180.0 ALA 12 -180.0 180.0 ALA 13 -180.0 180.0 CYS 14 -180.0 180.0 ALA 15 -180.0 180.0 ALA 16 -180.0 180.0 ALA 17 -180.0 180.0 GLY 18 -180.0 180.0 NZ_START= 1 NZ_END= 18 IZ_SC= 0 Geometry of the virtual chain. Res d Theta Phi Dsc Alpha Omega GLY 1 0.000 0.000 0.000 0.000 0.000 0.000 ALA 2 3.798 0.000 0.000 0.812 126.829 -76.902 ALA 3 3.737 142.050 0.000 0.749 137.463 -84.306 ALA 4 3.777 124.464 -169.125 0.705 105.294 -78.108 CYS 5 3.774 110.120 -160.528 1.293 158.619 -104.565 ALA 6 3.811 140.379 -177.281 0.706 135.838 -82.329 ALA 7 3.788 91.388 142.499 0.772 126.337 -76.931 ALA 8 3.771 124.902 75.891 0.824 113.900 -118.360 ALA 9 3.772 128.130 -174.931 0.686 107.064 -87.141 ALA 10 3.774 90.943 102.826 0.774 157.826 -59.303 ALA 11 3.748 114.254 105.902 0.693 119.632 -54.909 ALA 12 3.789 89.544 -101.667 0.741 155.157 -110.619 ALA 13 3.849 153.580 60.970 0.755 140.632 -99.009 CYS 14 3.845 125.646 -120.233 1.313 150.049 -92.166 ALA 15 3.835 133.262 -173.688 0.743 134.737 -34.633 ALA 16 3.896 124.125 -171.229 0.766 131.592 -41.437 ALA 17 3.810 122.109 -144.160 0.617 138.711 -49.120 GLY 18 3.759 115.636 105.386 0.000 0.000 0.000 The chain contains 2 disulfide-bridging cysteines. 5 14 Running with dynamic disulfide-bond formation MD calculation. ******************************************************************************** MODECALC 12 Calling hpb_partition Calling chainbuild Calling MD SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 SSBOND_E_FORM 0.00 300.0 5 14 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