diff -Naur lammps-31May07/doc/Section_howto.html lammps-6Jun07/doc/Section_howto.html --- lammps-31May07/doc/Section_howto.html 2007-02-22 09:52:24.000000000 -0700 +++ lammps-6Jun07/doc/Section_howto.html 2007-06-04 09:32:50.000000000 -0600 @@ -610,7 +610,7 @@ lammps2pdb Perl script which converts LAMMPS dump files into PDB files. The second is the lmp2arc tool which converts LAMMPS dump files into Accelrys's Insight MD program files. -The thrid is the lmp2cfg tool which converts +The third is the lmp2cfg tool which converts LAMMPS dump files into CFG files which can be read into the AtomEye visualizer.

diff -Naur lammps-31May07/doc/Section_howto.txt lammps-6Jun07/doc/Section_howto.txt --- lammps-31May07/doc/Section_howto.txt 2007-02-22 09:52:24.000000000 -0700 +++ lammps-6Jun07/doc/Section_howto.txt 2007-06-04 09:32:50.000000000 -0600 @@ -606,7 +606,7 @@ lammps2pdb Perl script which converts LAMMPS dump files into PDB files. The second is the "lmp2arc tool"_Section_tools.html#arc which converts LAMMPS dump files into Accelrys's Insight MD program files. -The thrid is the "lmp2cfg tool"_Section_tools.html#cfg which converts +The third is the "lmp2cfg tool"_Section_tools.html#cfg which converts LAMMPS dump files into CFG files which can be read into the "AtomEye"_atomeye visualizer. diff -Naur lammps-31May07/doc/Section_start.html lammps-6Jun07/doc/Section_start.html --- lammps-31May07/doc/Section_start.html 2007-04-30 18:14:45.000000000 -0600 +++ lammps-6Jun07/doc/Section_start.html 2007-06-04 09:32:50.000000000 -0600 @@ -27,7 +27,7 @@

2.1 What's in the LAMMPS distribution

-

When you download SLAMMPS you will need to unzip and untar the +

When you download LAMMPS you will need to unzip and untar the downloaded file with the following commands, after placing the file in an appropriate directory.

@@ -494,8 +494,8 @@ processors.

The input script specifies what simulation is run on which partition; -see the variable and next commands. This -howto section gives examples of how to use +see the variable and next commands. This +howto section gives examples of how to use these commands in this way. Simulations running on different partitions can also communicate with each other; see the temper command. diff -Naur lammps-31May07/doc/Section_start.txt lammps-6Jun07/doc/Section_start.txt --- lammps-31May07/doc/Section_start.txt 2007-04-30 18:14:45.000000000 -0600 +++ lammps-6Jun07/doc/Section_start.txt 2007-06-04 09:32:50.000000000 -0600 @@ -24,7 +24,7 @@ 2.1 What's in the LAMMPS distribution :h4,link(2_1) -When you download SLAMMPS you will need to unzip and untar the +When you download LAMMPS you will need to unzip and untar the downloaded file with the following commands, after placing the file in an appropriate directory. @@ -487,8 +487,8 @@ processors. The input script specifies what simulation is run on which partition; -see the "variable"_variable.html and "next"_next.html commands. "This -howto section"_Section_howto.html#4_4 gives examples of how to use +see the "variable"_variable.html and "next"_next.html commands. This +"howto section"_Section_howto.html#4_4 gives examples of how to use these commands in this way. Simulations running on different partitions can also communicate with each other; see the "temper"_temper.html command. diff -Naur lammps-31May07/doc/pair_meam.html lammps-6Jun07/doc/pair_meam.html --- lammps-31May07/doc/pair_meam.html 2007-02-09 14:40:32.000000000 -0700 +++ lammps-6Jun07/doc/pair_meam.html 2007-06-04 18:17:19.000000000 -0600 @@ -13,7 +13,7 @@

Syntax:

-
pair_style mean 
+
pair_style meam 
 

Examples:

diff -Naur lammps-31May07/doc/pair_meam.txt lammps-6Jun07/doc/pair_meam.txt --- lammps-31May07/doc/pair_meam.txt 2007-02-09 14:40:32.000000000 -0700 +++ lammps-6Jun07/doc/pair_meam.txt 2007-06-04 18:17:19.000000000 -0600 @@ -10,7 +10,7 @@ [Syntax:] -pair_style mean :pre +pair_style meam :pre [Examples:] diff -Naur lammps-31May07/src/domain.cpp lammps-6Jun07/src/domain.cpp --- lammps-31May07/src/domain.cpp 2007-04-10 08:32:28.000000000 -0600 +++ lammps-6Jun07/src/domain.cpp 2007-06-05 14:03:04.000000000 -0600 @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author (triclinic) : Pieter in 't Veld (SNL) +------------------------------------------------------------------------- */ + #include "mpi.h" #include "stdlib.h" #include "string.h" @@ -645,7 +649,7 @@ void Domain::set_lattice(int narg, char **arg) { - delete lattice; + if (lattice) delete lattice; lattice = new Lattice(lmp,narg,arg); if (lattice->style == 0) { delete lattice; @@ -661,11 +665,7 @@ { if (narg < 2) error->all("Illegal region command"); - // error checks - - for (int iregion = 0; iregion < nregion; iregion++) - if (strcmp(arg[0],regions[iregion]->id) == 0) - error->all("Reuse of region ID"); + if (find_region(arg[0]) >= 0) error->all("Reuse of region ID"); // extend Region list if necessary @@ -692,6 +692,18 @@ } /* ---------------------------------------------------------------------- + return region index if name matches existing region ID + return -1 if no such region +------------------------------------------------------------------------- */ + +int Domain::find_region(char *name) +{ + for (int iregion = 0; iregion < nregion; iregion++) + if (strcmp(name,regions[iregion]->id) == 0) return iregion; + return -1; +} + +/* ---------------------------------------------------------------------- boundary settings from the input script ------------------------------------------------------------------------- */ diff -Naur lammps-31May07/src/domain.h lammps-6Jun07/src/domain.h --- lammps-31May07/src/domain.h 2007-03-15 17:38:38.000000000 -0600 +++ lammps-6Jun07/src/domain.h 2007-06-05 14:03:04.000000000 -0600 @@ -91,6 +91,7 @@ void minimum_image(double *); void set_lattice(int, char **); void add_region(int, char **); + int find_region(char *); void set_boundary(int, char **); void print_box(char *); diff -Naur lammps-31May07/src/lattice.cpp lammps-6Jun07/src/lattice.cpp --- lammps-31May07/src/lattice.cpp 2007-03-07 17:54:02.000000000 -0700 +++ lammps-6Jun07/src/lattice.cpp 2007-06-05 14:03:04.000000000 -0600 @@ -33,6 +33,9 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) { + nbasis = 0; + basis = NULL; + // parse style arg if (narg < 1) error->all("Illegal lattice command"); @@ -76,9 +79,6 @@ // x,y,z = fractional coords within unit cell // style CUSTOM will be defined by optional args - nbasis = 0; - basis = NULL; - if (style == SC) { add_basis(0.0,0.0,0.0); } else if (style == BCC) { @@ -158,9 +158,9 @@ } else if (strcmp(arg[iarg],"spacings") == 0) { if (iarg+4 > narg) error->all("Illegal lattice command"); spaceflag = 1; - xlattice = atoi(arg[iarg+1]); - ylattice = atoi(arg[iarg+2]); - zlattice = atoi(arg[iarg+3]); + xlattice = atof(arg[iarg+1]); + ylattice = atof(arg[iarg+2]); + zlattice = atof(arg[iarg+3]); iarg += 4; } else if (strcmp(arg[iarg],"a1") == 0) { diff -Naur lammps-31May07/src/lattice.h lammps-6Jun07/src/lattice.h --- lammps-31May07/src/lattice.h 2007-01-29 17:22:05.000000000 -0700 +++ lammps-6Jun07/src/lattice.h 2007-06-05 14:03:04.000000000 -0600 @@ -22,9 +22,11 @@ public: int style; // enum list of NONE,SC,FCC,etc double xlattice,ylattice,zlattice; // lattice scale factors in 3 dims + double a1[3],a2[3],a3[3]; // vectors that bound unit cell int nbasis; // # of atoms in basis of unit cell double **basis; // fractional coords of each basis atom // within unit cell (0 <= coord < 1) + Lattice(class LAMMPS *, int, char **); ~Lattice(); void lattice2box(double &, double &, double &); @@ -38,7 +40,6 @@ int orientx[3]; // lattice orientation vecs int orienty[3]; // orientx = what lattice dir lies int orientz[3]; // along x dim in box - double a1[3],a2[3],a3[3]; // vectors that bound unit cell double primitive[3][3]; // lattice <-> box transform matrices double priminv[3][3]; diff -Naur lammps-31May07/tools/ch2lmp/example/1ac7_trj.psf lammps-6Jun07/tools/ch2lmp/example/1ac7_trj.psf --- lammps-31May07/tools/ch2lmp/example/1ac7_trj.psf 2007-05-31 18:06:46.000000000 -0600 +++ lammps-6Jun07/tools/ch2lmp/example/1ac7_trj.psf 2006-09-27 13:51:49.000000000 -0600 @@ -1 +1,3630 @@ -link 1ac7_ctrl.psf \ No newline at end of file +PSF + + 2 !NTITLE + REMARKS CONTROL PSF 1ac7_ctrl.psf + REMARKS CREATED BY charmm2lammps v1.6.2 ON Fri Jun 3 14:07:00 MDT 2005 + + 1968 !NATOM + 1 A 1 ADE P 82 1.50000000e+00 30.9740 0 + 2 A 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332 A 11 THY C5' 38 -8.00000000e-02 12.0110 0 + 333 A 11 THY H5' 12 9.00000000e-02 1.0080 0 + 334 A 11 THY H5'' 12 9.00000000e-02 1.0080 0 + 335 A 11 THY C4' 33 1.60000000e-01 12.0110 0 + 336 A 11 THY H4' 11 9.00000000e-02 1.0080 0 + 337 A 11 THY O4' 78 -5.00000000e-01 15.9994 0 + 338 A 11 THY C1' 34 1.60000000e-01 12.0110 0 + 339 A 11 THY H1' 11 9.00000000e-02 1.0080 0 + 340 A 11 THY N1 53 -3.40000000e-01 14.0070 0 + 341 A 11 THY C6 24 1.70000000e-01 12.0110 0 + 342 A 11 THY H6 4 1.70000000e-01 1.0080 0 + 343 A 11 THY C2 22 5.10000000e-01 12.0110 0 + 344 A 11 THY O2 71 -4.10000000e-01 15.9994 0 + 345 A 11 THY N3 55 -4.60000000e-01 14.0070 0 + 346 A 11 THY H3 3 3.60000000e-01 1.0080 0 + 347 A 11 THY C4 20 5.00000000e-01 12.0110 0 + 348 A 11 THY O4 71 -4.50000000e-01 15.9994 0 + 349 A 11 THY C5 29 -1.50000000e-01 12.0110 0 + 350 A 11 THY C5M 39 -1.10000000e-01 12.0110 0 + 351 A 11 THY H51 13 7.00000000e-02 1.0080 0 + 352 A 11 THY H52 13 7.00000000e-02 1.0080 0 + 353 A 11 THY H53 13 7.00000000e-02 1.0080 0 + 354 A 11 THY C2' 34 1.40000000e-01 12.0110 0 + 355 A 11 THY H2'' 11 9.00000000e-02 1.0080 0 + 356 A 11 THY O2' 76 -6.60000000e-01 15.9994 0 + 357 A 11 THY H2' 9 4.30000000e-01 1.0080 0 + 358 A 11 THY C3' 33 1.00000000e-02 12.0110 0 + 359 A 11 THY H3' 11 9.00000000e-02 1.0080 0 + 360 A 11 THY O3' 73 -5.70000000e-01 15.9994 0 + 361 A 12 ADE P 82 1.50000000e+00 30.9740 0 + 362 A 12 ADE O1P 74 -7.80000000e-01 15.9994 0 + 363 A 12 ADE O2P 74 -7.80000000e-01 15.9994 0 + 364 A 12 ADE O5' 73 -5.70000000e-01 15.9994 0 + 365 A 12 ADE C5' 38 -8.00000000e-02 12.0110 0 + 366 A 12 ADE H5' 12 9.00000000e-02 1.0080 0 + 367 A 12 ADE H5'' 12 9.00000000e-02 1.0080 0 + 368 A 12 ADE C4' 33 1.60000000e-01 12.0110 0 + 369 A 12 ADE H4' 11 9.00000000e-02 1.0080 0 + 370 A 12 ADE O4' 78 -5.00000000e-01 15.9994 0 + 371 A 12 ADE C1' 34 1.60000000e-01 12.0110 0 + 372 A 12 ADE H1' 11 9.00000000e-02 1.0080 0 + 373 A 12 ADE N9 52 -5.00000000e-02 14.0070 0 + 374 A 12 ADE C5 31 2.80000000e-01 12.0110 0 + 375 A 12 ADE N7 61 -7.10000000e-01 14.0070 0 + 376 A 12 ADE C8 30 3.40000000e-01 12.0110 0 + 377 A 12 ADE H8 4 1.20000000e-01 1.0080 0 + 378 A 12 ADE N1 58 -7.40000000e-01 14.0070 0 + 379 A 12 ADE C2 30 5.00000000e-01 12.0110 0 + 380 A 12 ADE H2 4 1.30000000e-01 1.0080 0 + 381 A 12 ADE N3 58 -7.50000000e-01 14.0070 0 + 382 A 12 ADE C4 31 4.30000000e-01 12.0110 0 + 383 A 12 ADE C6 23 4.60000000e-01 12.0110 0 + 384 A 12 ADE N6 50 -7.70000000e-01 14.0070 0 + 385 A 12 ADE H61 2 3.80000000e-01 1.0080 0 + 386 A 12 ADE H62 2 3.80000000e-01 1.0080 0 + 387 A 12 ADE C2' 34 1.40000000e-01 12.0110 0 + 388 A 12 ADE H2'' 11 9.00000000e-02 1.0080 0 + 389 A 12 ADE O2' 76 -6.60000000e-01 15.9994 0 + 390 A 12 ADE H2' 9 4.30000000e-01 1.0080 0 + 391 A 12 ADE C3' 33 1.00000000e-02 12.0110 0 + 392 A 12 ADE H3' 11 9.00000000e-02 1.0080 0 + 393 A 12 ADE O3' 73 -5.70000000e-01 15.9994 0 + 394 A 13 GUA P 82 1.50000000e+00 30.9740 0 + 395 A 13 GUA O1P 74 -7.80000000e-01 15.9994 0 + 396 A 13 GUA O2P 74 -7.80000000e-01 15.9994 0 + 397 A 13 GUA O5' 73 -5.70000000e-01 15.9994 0 + 398 A 13 GUA C5' 38 -8.00000000e-02 12.0110 0 + 399 A 13 GUA H5' 12 9.00000000e-02 1.0080 0 + 400 A 13 GUA H5'' 12 9.00000000e-02 1.0080 0 + 401 A 13 GUA C4' 33 1.60000000e-01 12.0110 0 + 402 A 13 GUA H4' 11 9.00000000e-02 1.0080 0 + 403 A 13 GUA O4' 78 -5.00000000e-01 15.9994 0 + 404 A 13 GUA C1' 34 1.60000000e-01 12.0110 0 + 405 A 13 GUA H1' 11 9.00000000e-02 1.0080 0 + 406 A 13 GUA N9 53 -2.00000000e-02 14.0070 0 + 407 A 13 GUA C4 31 2.60000000e-01 12.0110 0 + 408 A 13 GUA N2 50 -6.80000000e-01 14.0070 0 + 409 A 13 GUA H21 2 3.20000000e-01 1.0080 0 + 410 A 13 GUA H22 2 3.50000000e-01 1.0080 0 + 411 A 13 GUA N3 60 -7.40000000e-01 14.0070 0 + 412 A 13 GUA C2 23 7.50000000e-01 12.0110 0 + 413 A 13 GUA N1 56 -3.40000000e-01 14.0070 0 + 414 A 13 GUA H1 3 2.60000000e-01 1.0080 0 + 415 A 13 GUA C6 20 5.40000000e-01 12.0110 0 + 416 A 13 GUA O6 71 -5.10000000e-01 15.9994 0 + 417 A 13 GUA C5 32 0.00000000e+00 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14 GUA H1' 11 9.00000000e-02 1.0080 0 + 440 A 14 GUA N9 53 -2.00000000e-02 14.0070 0 + 441 A 14 GUA C4 31 2.60000000e-01 12.0110 0 + 442 A 14 GUA N2 50 -6.80000000e-01 14.0070 0 + 443 A 14 GUA H21 2 3.20000000e-01 1.0080 0 + 444 A 14 GUA H22 2 3.50000000e-01 1.0080 0 + 445 A 14 GUA N3 60 -7.40000000e-01 14.0070 0 + 446 A 14 GUA C2 23 7.50000000e-01 12.0110 0 + 447 A 14 GUA N1 56 -3.40000000e-01 14.0070 0 + 448 A 14 GUA H1 3 2.60000000e-01 1.0080 0 + 449 A 14 GUA C6 20 5.40000000e-01 12.0110 0 + 450 A 14 GUA O6 71 -5.10000000e-01 15.9994 0 + 451 A 14 GUA C5 32 0.00000000e+00 12.0110 0 + 452 A 14 GUA N7 61 -6.00000000e-01 14.0070 0 + 453 A 14 GUA C8 30 2.50000000e-01 12.0110 0 + 454 A 14 GUA H8 4 1.60000000e-01 1.0080 0 + 455 A 14 GUA C2' 34 1.40000000e-01 12.0110 0 + 456 A 14 GUA H2'' 11 9.00000000e-02 1.0080 0 + 457 A 14 GUA O2' 76 -6.60000000e-01 15.9994 0 + 458 A 14 GUA H2' 9 4.30000000e-01 1.0080 0 + 459 A 14 GUA C3' 33 1.00000000e-02 12.0110 0 + 460 A 14 GUA H3' 11 9.00000000e-02 1.0080 0 + 461 A 14 GUA O3' 73 -5.70000000e-01 15.9994 0 + 462 A 15 ADE P 82 1.50000000e+00 30.9740 0 + 463 A 15 ADE O1P 74 -7.80000000e-01 15.9994 0 + 464 A 15 ADE O2P 74 -7.80000000e-01 15.9994 0 + 465 A 15 ADE O5' 73 -5.70000000e-01 15.9994 0 + 466 A 15 ADE C5' 38 -8.00000000e-02 12.0110 0 + 467 A 15 ADE H5' 12 9.00000000e-02 1.0080 0 + 468 A 15 ADE H5'' 12 9.00000000e-02 1.0080 0 + 469 A 15 ADE C4' 33 1.60000000e-01 12.0110 0 + 470 A 15 ADE H4' 11 9.00000000e-02 1.0080 0 + 471 A 15 ADE O4' 78 -5.00000000e-01 15.9994 0 + 472 A 15 ADE C1' 34 1.60000000e-01 12.0110 0 + 473 A 15 ADE H1' 11 9.00000000e-02 1.0080 0 + 474 A 15 ADE N9 52 -5.00000000e-02 14.0070 0 + 475 A 15 ADE C5 31 2.80000000e-01 12.0110 0 + 476 A 15 ADE N7 61 -7.10000000e-01 14.0070 0 + 477 A 15 ADE C8 30 3.40000000e-01 12.0110 0 + 478 A 15 ADE H8 4 1.20000000e-01 1.0080 0 + 479 A 15 ADE N1 58 -7.40000000e-01 14.0070 0 + 480 A 15 ADE C2 30 5.00000000e-01 12.0110 0 + 481 A 15 ADE H2 4 1.30000000e-01 1.0080 0 + 482 A 15 ADE N3 58 -7.50000000e-01 14.0070 0 + 483 A 15 ADE C4 31 4.30000000e-01 12.0110 0 + 484 A 15 ADE C6 23 4.60000000e-01 12.0110 0 + 485 A 15 ADE N6 50 -7.70000000e-01 14.0070 0 + 486 A 15 ADE H61 2 3.80000000e-01 1.0080 0 + 487 A 15 ADE H62 2 3.80000000e-01 1.0080 0 + 488 A 15 ADE C2' 34 1.40000000e-01 12.0110 0 + 489 A 15 ADE H2'' 11 9.00000000e-02 1.0080 0 + 490 A 15 ADE O2' 76 -6.60000000e-01 15.9994 0 + 491 A 15 ADE H2' 9 4.30000000e-01 1.0080 0 + 492 A 15 ADE C3' 33 1.00000000e-02 12.0110 0 + 493 A 15 ADE H3' 11 9.00000000e-02 1.0080 0 + 494 A 15 ADE O3' 73 -5.70000000e-01 15.9994 0 + 495 A 16 THY P 82 1.50000000e+00 30.9740 0 + 496 A 16 THY O1P 74 -7.80000000e-01 15.9994 0 + 497 A 16 THY O2P 74 -7.80000000e-01 15.9994 0 + 498 A 16 THY O5' 73 -5.70000000e-01 15.9994 0 + 499 A 16 THY C5' 38 -8.00000000e-02 12.0110 0 + 500 A 16 THY H5' 12 9.00000000e-02 1.0080 0 + 501 A 16 THY H5'' 12 9.00000000e-02 1.0080 0 + 502 A 16 THY C4' 33 1.60000000e-01 12.0110 0 + 503 A 16 THY H4' 11 9.00000000e-02 1.0080 0 + 504 A 16 THY O4' 78 -5.00000000e-01 15.9994 0 + 505 A 16 THY C1' 34 1.60000000e-01 12.0110 0 + 506 A 16 THY H1' 11 9.00000000e-02 1.0080 0 + 507 A 16 THY N1 53 -3.40000000e-01 14.0070 0 + 508 A 16 THY C6 24 1.70000000e-01 12.0110 0 + 509 A 16 THY H6 4 1.70000000e-01 1.0080 0 + 510 A 16 THY C2 22 5.10000000e-01 12.0110 0 + 511 A 16 THY O2 71 -4.10000000e-01 15.9994 0 + 512 A 16 THY N3 55 -4.60000000e-01 14.0070 0 + 513 A 16 THY H3 3 3.60000000e-01 1.0080 0 + 514 A 16 THY C4 20 5.00000000e-01 12.0110 0 + 515 A 16 THY O4 71 -4.50000000e-01 15.9994 0 + 516 A 16 THY C5 29 -1.50000000e-01 12.0110 0 + 517 A 16 THY C5M 39 -1.10000000e-01 12.0110 0 + 518 A 16 THY H51 13 7.00000000e-02 1.0080 0 + 519 A 16 THY H52 13 7.00000000e-02 1.0080 0 + 520 A 16 THY H53 13 7.00000000e-02 1.0080 0 + 521 A 16 THY C2' 34 1.40000000e-01 12.0110 0 + 522 A 16 THY H2'' 11 9.00000000e-02 1.0080 0 + 523 A 16 THY O2' 76 -6.60000000e-01 15.9994 0 + 524 A 16 THY H2' 9 4.30000000e-01 1.0080 0 + 525 A 16 THY C3' 33 1.00000000e-02 12.0110 0 + 526 A 16 THY H3' 11 9.00000000e-02 1.0080 0 + 527 A 16 THY O3' 73 -5.70000000e-01 15.9994 0 + 528 WATR 1 HOH OT 70 -8.34000000e-01 15.9994 0 + 529 WATR 1 HOH HT 1 4.17000000e-01 1.00800 0 + 530 WATR 1 HOH HT 1 4.17000000e-01 1.00800 0 + 531 WATR 2 HOH OT 70 -8.34000000e-01 15.9994 0 + 532 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0 + 533 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0 + 534 SALT 1 ION SOD 90 1.00000000e+00 22.9897 0 + 535 WATR 3 HOH OT 70 -8.34000000e-01 15.9994 0 + 536 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0 + 537 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0 + 538 WATR 4 HOH OT 70 -8.34000000e-01 15.9994 0 + 539 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0 + 540 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0 + 541 SALT 2 ION SOD 90 1.00000000e+00 22.9897 0 + 542 WATR 5 HOH OT 70 -8.34000000e-01 15.9994 0 + 543 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0 + 544 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0 + 545 WATR 6 HOH OT 70 -8.34000000e-01 15.9994 0 + 546 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0 + 547 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0 + 548 WATR 7 HOH OT 70 -8.34000000e-01 15.9994 0 + 549 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0 + 550 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0 + 551 WATR 8 HOH OT 70 -8.34000000e-01 15.9994 0 + 552 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0 + 553 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0 + 554 WATR 9 HOH OT 70 -8.34000000e-01 15.9994 0 + 555 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0 + 556 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0 + 557 WATR 10 HOH OT 70 -8.34000000e-01 15.9994 0 + 558 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0 + 559 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0 + 560 WATR 11 HOH OT 70 -8.34000000e-01 15.9994 0 + 561 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0 + 562 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0 + 563 WATR 12 HOH OT 70 -8.34000000e-01 15.9994 0 + 564 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0 + 565 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0 + 566 WATR 13 HOH OT 70 -8.34000000e-01 15.9994 0 + 567 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0 + 568 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0 + 569 WATR 14 HOH OT 70 -8.34000000e-01 15.9994 0 + 570 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0 + 571 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0 + 572 WATR 15 HOH OT 70 -8.34000000e-01 15.9994 0 + 573 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0 + 574 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0 + 575 WATR 16 HOH OT 70 -8.34000000e-01 15.9994 0 + 576 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0 + 577 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0 + 578 WATR 17 HOH OT 70 -8.34000000e-01 15.9994 0 + 579 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0 + 580 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0 + 581 WATR 18 HOH OT 70 -8.34000000e-01 15.9994 0 + 582 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0 + 583 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0 + 584 WATR 19 HOH OT 70 -8.34000000e-01 15.9994 0 + 585 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0 + 586 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0 + 587 WATR 20 HOH OT 70 -8.34000000e-01 15.9994 0 + 588 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0 + 589 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0 + 590 WATR 21 HOH OT 70 -8.34000000e-01 15.9994 0 + 591 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0 + 592 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0 + 593 WATR 22 HOH OT 70 -8.34000000e-01 15.9994 0 + 594 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0 + 595 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0 + 596 WATR 23 HOH OT 70 -8.34000000e-01 15.9994 0 + 597 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0 + 598 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0 + 599 WATR 24 HOH OT 70 -8.34000000e-01 15.9994 0 + 600 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0 + 601 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0 + 602 WATR 25 HOH OT 70 -8.34000000e-01 15.9994 0 + 603 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0 + 604 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0 + 605 WATR 26 HOH OT 70 -8.34000000e-01 15.9994 0 + 606 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0 + 607 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0 + 608 WATR 27 HOH OT 70 -8.34000000e-01 15.9994 0 + 609 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0 + 610 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0 + 611 WATR 28 HOH OT 70 -8.34000000e-01 15.9994 0 + 612 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0 + 613 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0 + 614 WATR 29 HOH OT 70 -8.34000000e-01 15.9994 0 + 615 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0 + 616 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0 + 617 WATR 30 HOH OT 70 -8.34000000e-01 15.9994 0 + 618 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0 + 619 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0 + 620 WATR 31 HOH OT 70 -8.34000000e-01 15.9994 0 + 621 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0 + 622 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0 + 623 WATR 32 HOH OT 70 -8.34000000e-01 15.9994 0 + 624 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0 + 625 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0 + 626 WATR 33 HOH OT 70 -8.34000000e-01 15.9994 0 + 627 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0 + 628 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0 + 629 WATR 34 HOH OT 70 -8.34000000e-01 15.9994 0 + 630 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0 + 631 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0 + 632 WATR 35 HOH OT 70 -8.34000000e-01 15.9994 0 + 633 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0 + 634 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0 + 635 WATR 36 HOH OT 70 -8.34000000e-01 15.9994 0 + 636 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0 + 637 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0 + 638 WATR 37 HOH OT 70 -8.34000000e-01 15.9994 0 + 639 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0 + 640 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0 + 641 WATR 38 HOH OT 70 -8.34000000e-01 15.9994 0 + 642 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0 + 643 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0 + 644 WATR 39 HOH OT 70 -8.34000000e-01 15.9994 0 + 645 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0 + 646 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0 + 647 WATR 40 HOH OT 70 -8.34000000e-01 15.9994 0 + 648 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0 + 649 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0 + 650 WATR 41 HOH OT 70 -8.34000000e-01 15.9994 0 + 651 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0 + 652 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0 + 653 WATR 42 HOH OT 70 -8.34000000e-01 15.9994 0 + 654 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0 + 655 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0 + 656 WATR 43 HOH OT 70 -8.34000000e-01 15.9994 0 + 657 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0 + 658 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0 + 659 WATR 44 HOH OT 70 -8.34000000e-01 15.9994 0 + 660 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0 + 661 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0 + 662 WATR 45 HOH OT 70 -8.34000000e-01 15.9994 0 + 663 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0 + 664 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0 + 665 WATR 46 HOH OT 70 -8.34000000e-01 15.9994 0 + 666 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0 + 667 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0 + 668 WATR 47 HOH OT 70 -8.34000000e-01 15.9994 0 + 669 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0 + 670 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0 + 671 WATR 48 HOH OT 70 -8.34000000e-01 15.9994 0 + 672 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0 + 673 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0 + 674 WATR 49 HOH OT 70 -8.34000000e-01 15.9994 0 + 675 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0 + 676 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0 + 677 WATR 50 HOH OT 70 -8.34000000e-01 15.9994 0 + 678 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0 + 679 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0 + 680 WATR 51 HOH OT 70 -8.34000000e-01 15.9994 0 + 681 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0 + 682 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0 + 683 WATR 52 HOH OT 70 -8.34000000e-01 15.9994 0 + 684 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0 + 685 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0 + 686 WATR 53 HOH OT 70 -8.34000000e-01 15.9994 0 + 687 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0 + 688 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0 + 689 WATR 54 HOH OT 70 -8.34000000e-01 15.9994 0 + 690 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0 + 691 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0 + 692 WATR 55 HOH OT 70 -8.34000000e-01 15.9994 0 + 693 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0 + 694 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0 + 695 WATR 56 HOH OT 70 -8.34000000e-01 15.9994 0 + 696 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0 + 697 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0 + 698 WATR 57 HOH OT 70 -8.34000000e-01 15.9994 0 + 699 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0 + 700 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0 + 701 WATR 58 HOH OT 70 -8.34000000e-01 15.9994 0 + 702 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0 + 703 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0 + 704 WATR 59 HOH OT 70 -8.34000000e-01 15.9994 0 + 705 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0 + 706 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0 + 707 WATR 60 HOH OT 70 -8.34000000e-01 15.9994 0 + 708 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0 + 709 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0 + 710 WATR 61 HOH OT 70 -8.34000000e-01 15.9994 0 + 711 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0 + 712 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0 + 713 WATR 62 HOH OT 70 -8.34000000e-01 15.9994 0 + 714 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0 + 715 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0 + 716 WATR 63 HOH OT 70 -8.34000000e-01 15.9994 0 + 717 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0 + 718 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0 + 719 WATR 64 HOH OT 70 -8.34000000e-01 15.9994 0 + 720 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0 + 721 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0 + 722 WATR 65 HOH OT 70 -8.34000000e-01 15.9994 0 + 723 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0 + 724 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0 + 725 WATR 66 HOH OT 70 -8.34000000e-01 15.9994 0 + 726 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0 + 727 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0 + 728 WATR 67 HOH OT 70 -8.34000000e-01 15.9994 0 + 729 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0 + 730 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0 + 731 WATR 68 HOH OT 70 -8.34000000e-01 15.9994 0 + 732 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0 + 733 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0 + 734 WATR 69 HOH OT 70 -8.34000000e-01 15.9994 0 + 735 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0 + 736 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0 + 737 WATR 70 HOH OT 70 -8.34000000e-01 15.9994 0 + 738 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0 + 739 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0 + 740 WATR 71 HOH OT 70 -8.34000000e-01 15.9994 0 + 741 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0 + 742 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0 + 743 WATR 72 HOH OT 70 -8.34000000e-01 15.9994 0 + 744 WATR 72 HOH HT 1 4.17000000e-01 1.00800 0 + 745 WATR 72 HOH HT 1 4.17000000e-01 1.00800 0 + 746 WATR 73 HOH OT 70 -8.34000000e-01 15.9994 0 + 747 WATR 73 HOH HT 1 4.17000000e-01 1.00800 0 + 748 WATR 73 HOH HT 1 4.17000000e-01 1.00800 0 + 749 WATR 74 HOH OT 70 -8.34000000e-01 15.9994 0 + 750 WATR 74 HOH HT 1 4.17000000e-01 1.00800 0 + 751 WATR 74 HOH HT 1 4.17000000e-01 1.00800 0 + 752 WATR 75 HOH OT 70 -8.34000000e-01 15.9994 0 + 753 WATR 75 HOH HT 1 4.17000000e-01 1.00800 0 + 754 WATR 75 HOH HT 1 4.17000000e-01 1.00800 0 + 755 WATR 76 HOH OT 70 -8.34000000e-01 15.9994 0 + 756 WATR 76 HOH HT 1 4.17000000e-01 1.00800 0 + 757 WATR 76 HOH HT 1 4.17000000e-01 1.00800 0 + 758 WATR 77 HOH OT 70 -8.34000000e-01 15.9994 0 + 759 WATR 77 HOH HT 1 4.17000000e-01 1.00800 0 + 760 WATR 77 HOH HT 1 4.17000000e-01 1.00800 0 + 761 WATR 78 HOH OT 70 -8.34000000e-01 15.9994 0 + 762 WATR 78 HOH HT 1 4.17000000e-01 1.00800 0 + 763 WATR 78 HOH HT 1 4.17000000e-01 1.00800 0 + 764 WATR 79 HOH OT 70 -8.34000000e-01 15.9994 0 + 765 WATR 79 HOH HT 1 4.17000000e-01 1.00800 0 + 766 WATR 79 HOH HT 1 4.17000000e-01 1.00800 0 + 767 WATR 80 HOH OT 70 -8.34000000e-01 15.9994 0 + 768 WATR 80 HOH HT 1 4.17000000e-01 1.00800 0 + 769 WATR 80 HOH HT 1 4.17000000e-01 1.00800 0 + 770 WATR 81 HOH OT 70 -8.34000000e-01 15.9994 0 + 771 WATR 81 HOH HT 1 4.17000000e-01 1.00800 0 + 772 WATR 81 HOH HT 1 4.17000000e-01 1.00800 0 + 773 WATR 82 HOH OT 70 -8.34000000e-01 15.9994 0 + 774 WATR 82 HOH HT 1 4.17000000e-01 1.00800 0 + 775 WATR 82 HOH HT 1 4.17000000e-01 1.00800 0 + 776 WATR 83 HOH OT 70 -8.34000000e-01 15.9994 0 + 777 WATR 83 HOH HT 1 4.17000000e-01 1.00800 0 + 778 WATR 83 HOH HT 1 4.17000000e-01 1.00800 0 + 779 WATR 84 HOH OT 70 -8.34000000e-01 15.9994 0 + 780 WATR 84 HOH HT 1 4.17000000e-01 1.00800 0 + 781 WATR 84 HOH HT 1 4.17000000e-01 1.00800 0 + 782 WATR 85 HOH OT 70 -8.34000000e-01 15.9994 0 + 783 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0 + 784 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0 + 785 WATR 86 HOH OT 70 -8.34000000e-01 15.9994 0 + 786 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0 + 787 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0 + 788 WATR 87 HOH OT 70 -8.34000000e-01 15.9994 0 + 789 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0 + 790 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0 + 791 WATR 88 HOH OT 70 -8.34000000e-01 15.9994 0 + 792 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0 + 793 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0 + 794 WATR 89 HOH OT 70 -8.34000000e-01 15.9994 0 + 795 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0 + 796 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0 + 797 WATR 90 HOH OT 70 -8.34000000e-01 15.9994 0 + 798 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0 + 799 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0 + 800 WATR 91 HOH OT 70 -8.34000000e-01 15.9994 0 + 801 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0 + 802 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0 + 803 WATR 92 HOH OT 70 -8.34000000e-01 15.9994 0 + 804 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0 + 805 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0 + 806 WATR 93 HOH OT 70 -8.34000000e-01 15.9994 0 + 807 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0 + 808 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0 + 809 WATR 94 HOH OT 70 -8.34000000e-01 15.9994 0 + 810 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0 + 811 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0 + 812 WATR 95 HOH OT 70 -8.34000000e-01 15.9994 0 + 813 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0 + 814 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0 + 815 WATR 96 HOH OT 70 -8.34000000e-01 15.9994 0 + 816 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0 + 817 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0 + 818 WATR 97 HOH OT 70 -8.34000000e-01 15.9994 0 + 819 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0 + 820 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0 + 821 WATR 98 HOH OT 70 -8.34000000e-01 15.9994 0 + 822 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0 + 823 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0 + 824 SALT 3 ION SOD 90 1.00000000e+00 22.9897 0 + 825 WATR 99 HOH OT 70 -8.34000000e-01 15.9994 0 + 826 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0 + 827 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0 + 828 WATR 100 HOH OT 70 -8.34000000e-01 15.9994 0 + 829 WATR 100 HOH HT 1 4.17000000e-01 1.00800 0 + 830 WATR 100 HOH HT 1 4.17000000e-01 1.00800 0 + 831 WATR 101 HOH OT 70 -8.34000000e-01 15.9994 0 + 832 WATR 101 HOH HT 1 4.17000000e-01 1.00800 0 + 833 WATR 101 HOH HT 1 4.17000000e-01 1.00800 0 + 834 WATR 102 HOH OT 70 -8.34000000e-01 15.9994 0 + 835 WATR 102 HOH HT 1 4.17000000e-01 1.00800 0 + 836 WATR 102 HOH HT 1 4.17000000e-01 1.00800 0 + 837 WATR 103 HOH OT 70 -8.34000000e-01 15.9994 0 + 838 WATR 103 HOH HT 1 4.17000000e-01 1.00800 0 + 839 WATR 103 HOH HT 1 4.17000000e-01 1.00800 0 + 840 WATR 104 HOH OT 70 -8.34000000e-01 15.9994 0 + 841 WATR 104 HOH HT 1 4.17000000e-01 1.00800 0 + 842 WATR 104 HOH HT 1 4.17000000e-01 1.00800 0 + 843 WATR 105 HOH OT 70 -8.34000000e-01 15.9994 0 + 844 WATR 105 HOH HT 1 4.17000000e-01 1.00800 0 + 845 WATR 105 HOH HT 1 4.17000000e-01 1.00800 0 + 846 WATR 106 HOH OT 70 -8.34000000e-01 15.9994 0 + 847 WATR 106 HOH HT 1 4.17000000e-01 1.00800 0 + 848 WATR 106 HOH HT 1 4.17000000e-01 1.00800 0 + 849 WATR 107 HOH OT 70 -8.34000000e-01 15.9994 0 + 850 WATR 107 HOH HT 1 4.17000000e-01 1.00800 0 + 851 WATR 107 HOH HT 1 4.17000000e-01 1.00800 0 + 852 WATR 108 HOH OT 70 -8.34000000e-01 15.9994 0 + 853 WATR 108 HOH HT 1 4.17000000e-01 1.00800 0 + 854 WATR 108 HOH HT 1 4.17000000e-01 1.00800 0 + 855 WATR 109 HOH OT 70 -8.34000000e-01 15.9994 0 + 856 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0 + 857 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0 + 858 SALT 4 ION SOD 90 1.00000000e+00 22.9897 0 + 859 WATR 110 HOH OT 70 -8.34000000e-01 15.9994 0 + 860 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0 + 861 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0 + 862 WATR 111 HOH OT 70 -8.34000000e-01 15.9994 0 + 863 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0 + 864 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0 + 865 SALT 5 ION SOD 90 1.00000000e+00 22.9897 0 + 866 WATR 112 HOH OT 70 -8.34000000e-01 15.9994 0 + 867 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0 + 868 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0 + 869 WATR 113 HOH OT 70 -8.34000000e-01 15.9994 0 + 870 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0 + 871 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0 + 872 WATR 114 HOH OT 70 -8.34000000e-01 15.9994 0 + 873 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0 + 874 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0 + 875 WATR 115 HOH OT 70 -8.34000000e-01 15.9994 0 + 876 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0 + 877 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0 + 878 WATR 116 HOH OT 70 -8.34000000e-01 15.9994 0 + 879 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0 + 880 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0 + 881 WATR 117 HOH OT 70 -8.34000000e-01 15.9994 0 + 882 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0 + 883 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0 + 884 WATR 118 HOH OT 70 -8.34000000e-01 15.9994 0 + 885 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0 + 886 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0 + 887 WATR 119 HOH OT 70 -8.34000000e-01 15.9994 0 + 888 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0 + 889 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0 + 890 WATR 120 HOH OT 70 -8.34000000e-01 15.9994 0 + 891 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0 + 892 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0 + 893 WATR 121 HOH OT 70 -8.34000000e-01 15.9994 0 + 894 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0 + 895 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0 + 896 WATR 122 HOH OT 70 -8.34000000e-01 15.9994 0 + 897 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0 + 898 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0 + 899 WATR 123 HOH OT 70 -8.34000000e-01 15.9994 0 + 900 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0 + 901 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0 + 902 WATR 124 HOH OT 70 -8.34000000e-01 15.9994 0 + 903 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0 + 904 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0 + 905 WATR 125 HOH OT 70 -8.34000000e-01 15.9994 0 + 906 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0 + 907 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0 + 908 WATR 126 HOH OT 70 -8.34000000e-01 15.9994 0 + 909 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0 + 910 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0 + 911 WATR 127 HOH OT 70 -8.34000000e-01 15.9994 0 + 912 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0 + 913 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0 + 914 WATR 128 HOH OT 70 -8.34000000e-01 15.9994 0 + 915 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0 + 916 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0 + 917 WATR 129 HOH OT 70 -8.34000000e-01 15.9994 0 + 918 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0 + 919 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0 + 920 WATR 130 HOH OT 70 -8.34000000e-01 15.9994 0 + 921 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0 + 922 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0 + 923 WATR 131 HOH OT 70 -8.34000000e-01 15.9994 0 + 924 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0 + 925 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0 + 926 WATR 132 HOH OT 70 -8.34000000e-01 15.9994 0 + 927 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0 + 928 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0 + 929 WATR 133 HOH OT 70 -8.34000000e-01 15.9994 0 + 930 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0 + 931 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0 + 932 WATR 134 HOH OT 70 -8.34000000e-01 15.9994 0 + 933 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0 + 934 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0 + 935 WATR 135 HOH OT 70 -8.34000000e-01 15.9994 0 + 936 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0 + 937 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0 + 938 WATR 136 HOH OT 70 -8.34000000e-01 15.9994 0 + 939 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0 + 940 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0 + 941 WATR 137 HOH OT 70 -8.34000000e-01 15.9994 0 + 942 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0 + 943 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0 + 944 WATR 138 HOH OT 70 -8.34000000e-01 15.9994 0 + 945 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0 + 946 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0 + 947 WATR 139 HOH OT 70 -8.34000000e-01 15.9994 0 + 948 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0 + 949 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0 + 950 WATR 140 HOH OT 70 -8.34000000e-01 15.9994 0 + 951 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0 + 952 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0 + 953 WATR 141 HOH OT 70 -8.34000000e-01 15.9994 0 + 954 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0 + 955 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0 + 956 WATR 142 HOH OT 70 -8.34000000e-01 15.9994 0 + 957 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0 + 958 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0 + 959 WATR 143 HOH OT 70 -8.34000000e-01 15.9994 0 + 960 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0 + 961 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0 + 962 WATR 144 HOH OT 70 -8.34000000e-01 15.9994 0 + 963 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0 + 964 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0 + 965 WATR 145 HOH OT 70 -8.34000000e-01 15.9994 0 + 966 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0 + 967 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0 + 968 WATR 146 HOH OT 70 -8.34000000e-01 15.9994 0 + 969 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0 + 970 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0 + 971 WATR 147 HOH OT 70 -8.34000000e-01 15.9994 0 + 972 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0 + 973 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0 + 974 WATR 148 HOH OT 70 -8.34000000e-01 15.9994 0 + 975 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0 + 976 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0 + 977 WATR 149 HOH OT 70 -8.34000000e-01 15.9994 0 + 978 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0 + 979 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0 + 980 WATR 150 HOH OT 70 -8.34000000e-01 15.9994 0 + 981 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0 + 982 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0 + 983 WATR 151 HOH OT 70 -8.34000000e-01 15.9994 0 + 984 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0 + 985 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0 + 986 WATR 152 HOH OT 70 -8.34000000e-01 15.9994 0 + 987 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0 + 988 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0 + 989 WATR 153 HOH OT 70 -8.34000000e-01 15.9994 0 + 990 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0 + 991 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0 + 992 WATR 154 HOH OT 70 -8.34000000e-01 15.9994 0 + 993 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0 + 994 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0 + 995 WATR 155 HOH OT 70 -8.34000000e-01 15.9994 0 + 996 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0 + 997 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0 + 998 WATR 156 HOH OT 70 -8.34000000e-01 15.9994 0 + 999 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0 + 1000 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0 + 1001 WATR 157 HOH OT 70 -8.34000000e-01 15.9994 0 + 1002 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0 + 1003 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0 + 1004 WATR 158 HOH OT 70 -8.34000000e-01 15.9994 0 + 1005 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0 + 1006 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0 + 1007 WATR 159 HOH OT 70 -8.34000000e-01 15.9994 0 + 1008 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0 + 1009 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0 + 1010 SALT 6 ION SOD 90 1.00000000e+00 22.9897 0 + 1011 WATR 160 HOH OT 70 -8.34000000e-01 15.9994 0 + 1012 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0 + 1013 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0 + 1014 WATR 161 HOH OT 70 -8.34000000e-01 15.9994 0 + 1015 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0 + 1016 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0 + 1017 WATR 162 HOH OT 70 -8.34000000e-01 15.9994 0 + 1018 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0 + 1019 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0 + 1020 WATR 163 HOH OT 70 -8.34000000e-01 15.9994 0 + 1021 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0 + 1022 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0 + 1023 WATR 164 HOH OT 70 -8.34000000e-01 15.9994 0 + 1024 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0 + 1025 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0 + 1026 WATR 165 HOH OT 70 -8.34000000e-01 15.9994 0 + 1027 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0 + 1028 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0 + 1029 WATR 166 HOH OT 70 -8.34000000e-01 15.9994 0 + 1030 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0 + 1031 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0 + 1032 WATR 167 HOH OT 70 -8.34000000e-01 15.9994 0 + 1033 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0 + 1034 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0 + 1035 WATR 168 HOH OT 70 -8.34000000e-01 15.9994 0 + 1036 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0 + 1037 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0 + 1038 WATR 169 HOH OT 70 -8.34000000e-01 15.9994 0 + 1039 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0 + 1040 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0 + 1041 WATR 170 HOH OT 70 -8.34000000e-01 15.9994 0 + 1042 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0 + 1043 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0 + 1044 WATR 171 HOH OT 70 -8.34000000e-01 15.9994 0 + 1045 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0 + 1046 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0 + 1047 WATR 172 HOH OT 70 -8.34000000e-01 15.9994 0 + 1048 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0 + 1049 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0 + 1050 WATR 173 HOH OT 70 -8.34000000e-01 15.9994 0 + 1051 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0 + 1052 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0 + 1053 WATR 174 HOH OT 70 -8.34000000e-01 15.9994 0 + 1054 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0 + 1055 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0 + 1056 WATR 175 HOH OT 70 -8.34000000e-01 15.9994 0 + 1057 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0 + 1058 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0 + 1059 WATR 176 HOH OT 70 -8.34000000e-01 15.9994 0 + 1060 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0 + 1061 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0 + 1062 SALT 7 ION SOD 90 1.00000000e+00 22.9897 0 + 1063 WATR 177 HOH OT 70 -8.34000000e-01 15.9994 0 + 1064 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0 + 1065 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0 + 1066 WATR 178 HOH OT 70 -8.34000000e-01 15.9994 0 + 1067 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0 + 1068 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0 + 1069 WATR 179 HOH OT 70 -8.34000000e-01 15.9994 0 + 1070 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0 + 1071 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0 + 1072 WATR 180 HOH OT 70 -8.34000000e-01 15.9994 0 + 1073 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0 + 1074 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0 + 1075 WATR 181 HOH OT 70 -8.34000000e-01 15.9994 0 + 1076 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0 + 1077 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0 + 1078 WATR 182 HOH OT 70 -8.34000000e-01 15.9994 0 + 1079 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0 + 1080 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0 + 1081 WATR 183 HOH OT 70 -8.34000000e-01 15.9994 0 + 1082 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0 + 1083 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0 + 1084 WATR 184 HOH OT 70 -8.34000000e-01 15.9994 0 + 1085 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0 + 1086 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0 + 1087 WATR 185 HOH OT 70 -8.34000000e-01 15.9994 0 + 1088 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0 + 1089 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0 + 1090 WATR 186 HOH OT 70 -8.34000000e-01 15.9994 0 + 1091 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0 + 1092 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0 + 1093 WATR 187 HOH OT 70 -8.34000000e-01 15.9994 0 + 1094 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0 + 1095 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0 + 1096 WATR 188 HOH OT 70 -8.34000000e-01 15.9994 0 + 1097 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0 + 1098 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0 + 1099 WATR 189 HOH OT 70 -8.34000000e-01 15.9994 0 + 1100 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0 + 1101 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0 + 1102 WATR 190 HOH OT 70 -8.34000000e-01 15.9994 0 + 1103 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0 + 1104 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0 + 1105 WATR 191 HOH OT 70 -8.34000000e-01 15.9994 0 + 1106 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0 + 1107 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0 + 1108 WATR 192 HOH OT 70 -8.34000000e-01 15.9994 0 + 1109 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0 + 1110 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0 + 1111 WATR 193 HOH OT 70 -8.34000000e-01 15.9994 0 + 1112 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0 + 1113 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0 + 1114 WATR 194 HOH OT 70 -8.34000000e-01 15.9994 0 + 1115 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0 + 1116 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0 + 1117 WATR 195 HOH OT 70 -8.34000000e-01 15.9994 0 + 1118 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0 + 1119 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0 + 1120 WATR 196 HOH OT 70 -8.34000000e-01 15.9994 0 + 1121 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0 + 1122 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0 + 1123 WATR 197 HOH OT 70 -8.34000000e-01 15.9994 0 + 1124 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0 + 1125 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0 + 1126 WATR 198 HOH OT 70 -8.34000000e-01 15.9994 0 + 1127 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0 + 1128 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0 + 1129 WATR 199 HOH OT 70 -8.34000000e-01 15.9994 0 + 1130 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0 + 1131 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0 + 1132 WATR 200 HOH OT 70 -8.34000000e-01 15.9994 0 + 1133 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0 + 1134 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0 + 1135 WATR 201 HOH OT 70 -8.34000000e-01 15.9994 0 + 1136 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0 + 1137 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0 + 1138 WATR 202 HOH OT 70 -8.34000000e-01 15.9994 0 + 1139 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0 + 1140 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0 + 1141 WATR 203 HOH OT 70 -8.34000000e-01 15.9994 0 + 1142 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0 + 1143 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0 + 1144 WATR 204 HOH OT 70 -8.34000000e-01 15.9994 0 + 1145 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0 + 1146 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0 + 1147 WATR 205 HOH OT 70 -8.34000000e-01 15.9994 0 + 1148 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0 + 1149 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0 + 1150 WATR 206 HOH OT 70 -8.34000000e-01 15.9994 0 + 1151 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0 + 1152 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0 + 1153 WATR 207 HOH OT 70 -8.34000000e-01 15.9994 0 + 1154 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0 + 1155 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0 + 1156 WATR 208 HOH OT 70 -8.34000000e-01 15.9994 0 + 1157 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0 + 1158 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0 + 1159 WATR 209 HOH OT 70 -8.34000000e-01 15.9994 0 + 1160 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0 + 1161 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0 + 1162 WATR 210 HOH OT 70 -8.34000000e-01 15.9994 0 + 1163 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0 + 1164 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0 + 1165 WATR 211 HOH OT 70 -8.34000000e-01 15.9994 0 + 1166 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0 + 1167 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0 + 1168 WATR 212 HOH OT 70 -8.34000000e-01 15.9994 0 + 1169 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0 + 1170 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0 + 1171 WATR 213 HOH OT 70 -8.34000000e-01 15.9994 0 + 1172 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0 + 1173 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0 + 1174 WATR 214 HOH OT 70 -8.34000000e-01 15.9994 0 + 1175 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0 + 1176 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0 + 1177 WATR 215 HOH OT 70 -8.34000000e-01 15.9994 0 + 1178 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0 + 1179 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0 + 1180 WATR 216 HOH OT 70 -8.34000000e-01 15.9994 0 + 1181 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0 + 1182 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0 + 1183 WATR 217 HOH OT 70 -8.34000000e-01 15.9994 0 + 1184 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0 + 1185 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0 + 1186 WATR 218 HOH OT 70 -8.34000000e-01 15.9994 0 + 1187 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0 + 1188 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0 + 1189 WATR 219 HOH OT 70 -8.34000000e-01 15.9994 0 + 1190 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0 + 1191 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0 + 1192 WATR 220 HOH OT 70 -8.34000000e-01 15.9994 0 + 1193 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0 + 1194 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0 + 1195 WATR 221 HOH OT 70 -8.34000000e-01 15.9994 0 + 1196 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0 + 1197 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0 + 1198 WATR 222 HOH OT 70 -8.34000000e-01 15.9994 0 + 1199 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0 + 1200 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0 + 1201 WATR 223 HOH OT 70 -8.34000000e-01 15.9994 0 + 1202 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0 + 1203 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0 + 1204 WATR 224 HOH OT 70 -8.34000000e-01 15.9994 0 + 1205 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0 + 1206 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0 + 1207 WATR 225 HOH OT 70 -8.34000000e-01 15.9994 0 + 1208 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0 + 1209 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0 + 1210 WATR 226 HOH OT 70 -8.34000000e-01 15.9994 0 + 1211 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0 + 1212 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0 + 1213 WATR 227 HOH OT 70 -8.34000000e-01 15.9994 0 + 1214 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0 + 1215 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0 + 1216 WATR 228 HOH OT 70 -8.34000000e-01 15.9994 0 + 1217 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0 + 1218 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0 + 1219 WATR 229 HOH OT 70 -8.34000000e-01 15.9994 0 + 1220 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0 + 1221 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0 + 1222 WATR 230 HOH OT 70 -8.34000000e-01 15.9994 0 + 1223 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0 + 1224 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0 + 1225 WATR 231 HOH OT 70 -8.34000000e-01 15.9994 0 + 1226 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0 + 1227 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0 + 1228 WATR 232 HOH OT 70 -8.34000000e-01 15.9994 0 + 1229 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0 + 1230 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0 + 1231 WATR 233 HOH OT 70 -8.34000000e-01 15.9994 0 + 1232 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0 + 1233 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0 + 1234 WATR 234 HOH OT 70 -8.34000000e-01 15.9994 0 + 1235 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0 + 1236 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0 + 1237 WATR 235 HOH OT 70 -8.34000000e-01 15.9994 0 + 1238 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0 + 1239 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0 + 1240 WATR 236 HOH OT 70 -8.34000000e-01 15.9994 0 + 1241 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0 + 1242 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0 + 1243 WATR 237 HOH OT 70 -8.34000000e-01 15.9994 0 + 1244 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0 + 1245 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0 + 1246 WATR 238 HOH OT 70 -8.34000000e-01 15.9994 0 + 1247 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0 + 1248 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0 + 1249 WATR 239 HOH OT 70 -8.34000000e-01 15.9994 0 + 1250 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0 + 1251 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0 + 1252 WATR 240 HOH OT 70 -8.34000000e-01 15.9994 0 + 1253 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0 + 1254 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0 + 1255 WATR 241 HOH OT 70 -8.34000000e-01 15.9994 0 + 1256 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0 + 1257 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0 + 1258 WATR 242 HOH OT 70 -8.34000000e-01 15.9994 0 + 1259 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0 + 1260 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0 + 1261 WATR 243 HOH OT 70 -8.34000000e-01 15.9994 0 + 1262 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0 + 1263 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0 + 1264 SALT 8 ION SOD 90 1.00000000e+00 22.9897 0 + 1265 WATR 244 HOH OT 70 -8.34000000e-01 15.9994 0 + 1266 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0 + 1267 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0 + 1268 WATR 245 HOH OT 70 -8.34000000e-01 15.9994 0 + 1269 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0 + 1270 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0 + 1271 WATR 246 HOH OT 70 -8.34000000e-01 15.9994 0 + 1272 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0 + 1273 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0 + 1274 WATR 247 HOH OT 70 -8.34000000e-01 15.9994 0 + 1275 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0 + 1276 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0 + 1277 WATR 248 HOH OT 70 -8.34000000e-01 15.9994 0 + 1278 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0 + 1279 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0 + 1280 WATR 249 HOH OT 70 -8.34000000e-01 15.9994 0 + 1281 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0 + 1282 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0 + 1283 WATR 250 HOH OT 70 -8.34000000e-01 15.9994 0 + 1284 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0 + 1285 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0 + 1286 WATR 251 HOH OT 70 -8.34000000e-01 15.9994 0 + 1287 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0 + 1288 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0 + 1289 WATR 252 HOH OT 70 -8.34000000e-01 15.9994 0 + 1290 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0 + 1291 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0 + 1292 WATR 253 HOH OT 70 -8.34000000e-01 15.9994 0 + 1293 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0 + 1294 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0 + 1295 WATR 254 HOH OT 70 -8.34000000e-01 15.9994 0 + 1296 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0 + 1297 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0 + 1298 WATR 255 HOH OT 70 -8.34000000e-01 15.9994 0 + 1299 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0 + 1300 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0 + 1301 WATR 256 HOH OT 70 -8.34000000e-01 15.9994 0 + 1302 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0 + 1303 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0 + 1304 WATR 257 HOH OT 70 -8.34000000e-01 15.9994 0 + 1305 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0 + 1306 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0 + 1307 WATR 258 HOH OT 70 -8.34000000e-01 15.9994 0 + 1308 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0 + 1309 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0 + 1310 WATR 259 HOH OT 70 -8.34000000e-01 15.9994 0 + 1311 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0 + 1312 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0 + 1313 WATR 260 HOH OT 70 -8.34000000e-01 15.9994 0 + 1314 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0 + 1315 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0 + 1316 WATR 261 HOH OT 70 -8.34000000e-01 15.9994 0 + 1317 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0 + 1318 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0 + 1319 WATR 262 HOH OT 70 -8.34000000e-01 15.9994 0 + 1320 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0 + 1321 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0 + 1322 WATR 263 HOH OT 70 -8.34000000e-01 15.9994 0 + 1323 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0 + 1324 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0 + 1325 WATR 264 HOH OT 70 -8.34000000e-01 15.9994 0 + 1326 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0 + 1327 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0 + 1328 WATR 265 HOH OT 70 -8.34000000e-01 15.9994 0 + 1329 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0 + 1330 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0 + 1331 WATR 266 HOH OT 70 -8.34000000e-01 15.9994 0 + 1332 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0 + 1333 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0 + 1334 WATR 267 HOH OT 70 -8.34000000e-01 15.9994 0 + 1335 WATR 267 HOH HT 1 4.17000000e-01 1.00800 0 + 1336 WATR 267 HOH HT 1 4.17000000e-01 1.00800 0 + 1337 WATR 268 HOH OT 70 -8.34000000e-01 15.9994 0 + 1338 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0 + 1339 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0 + 1340 WATR 269 HOH OT 70 -8.34000000e-01 15.9994 0 + 1341 WATR 269 HOH HT 1 4.17000000e-01 1.00800 0 + 1342 WATR 269 HOH HT 1 4.17000000e-01 1.00800 0 + 1343 WATR 270 HOH OT 70 -8.34000000e-01 15.9994 0 + 1344 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0 + 1345 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0 + 1346 WATR 271 HOH OT 70 -8.34000000e-01 15.9994 0 + 1347 WATR 271 HOH HT 1 4.17000000e-01 1.00800 0 + 1348 WATR 271 HOH HT 1 4.17000000e-01 1.00800 0 + 1349 WATR 272 HOH OT 70 -8.34000000e-01 15.9994 0 + 1350 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0 + 1351 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0 + 1352 WATR 273 HOH OT 70 -8.34000000e-01 15.9994 0 + 1353 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0 + 1354 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0 + 1355 WATR 274 HOH OT 70 -8.34000000e-01 15.9994 0 + 1356 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0 + 1357 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0 + 1358 WATR 275 HOH OT 70 -8.34000000e-01 15.9994 0 + 1359 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0 + 1360 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0 + 1361 WATR 276 HOH OT 70 -8.34000000e-01 15.9994 0 + 1362 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0 + 1363 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0 + 1364 WATR 277 HOH OT 70 -8.34000000e-01 15.9994 0 + 1365 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0 + 1366 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0 + 1367 WATR 278 HOH OT 70 -8.34000000e-01 15.9994 0 + 1368 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0 + 1369 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0 + 1370 WATR 279 HOH OT 70 -8.34000000e-01 15.9994 0 + 1371 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0 + 1372 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0 + 1373 WATR 280 HOH OT 70 -8.34000000e-01 15.9994 0 + 1374 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0 + 1375 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0 + 1376 WATR 281 HOH OT 70 -8.34000000e-01 15.9994 0 + 1377 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0 + 1378 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0 + 1379 WATR 282 HOH OT 70 -8.34000000e-01 15.9994 0 + 1380 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0 + 1381 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0 + 1382 WATR 283 HOH OT 70 -8.34000000e-01 15.9994 0 + 1383 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0 + 1384 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0 + 1385 WATR 284 HOH OT 70 -8.34000000e-01 15.9994 0 + 1386 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0 + 1387 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0 + 1388 WATR 285 HOH OT 70 -8.34000000e-01 15.9994 0 + 1389 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0 + 1390 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0 + 1391 WATR 286 HOH OT 70 -8.34000000e-01 15.9994 0 + 1392 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0 + 1393 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0 + 1394 WATR 287 HOH OT 70 -8.34000000e-01 15.9994 0 + 1395 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0 + 1396 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0 + 1397 WATR 288 HOH OT 70 -8.34000000e-01 15.9994 0 + 1398 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0 + 1399 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0 + 1400 WATR 289 HOH OT 70 -8.34000000e-01 15.9994 0 + 1401 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0 + 1402 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0 + 1403 WATR 290 HOH OT 70 -8.34000000e-01 15.9994 0 + 1404 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0 + 1405 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0 + 1406 WATR 291 HOH OT 70 -8.34000000e-01 15.9994 0 + 1407 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0 + 1408 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0 + 1409 WATR 292 HOH OT 70 -8.34000000e-01 15.9994 0 + 1410 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0 + 1411 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0 + 1412 WATR 293 HOH OT 70 -8.34000000e-01 15.9994 0 + 1413 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0 + 1414 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0 + 1415 WATR 294 HOH OT 70 -8.34000000e-01 15.9994 0 + 1416 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0 + 1417 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0 + 1418 WATR 295 HOH OT 70 -8.34000000e-01 15.9994 0 + 1419 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0 + 1420 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0 + 1421 WATR 296 HOH OT 70 -8.34000000e-01 15.9994 0 + 1422 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0 + 1423 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0 + 1424 WATR 297 HOH OT 70 -8.34000000e-01 15.9994 0 + 1425 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0 + 1426 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0 + 1427 WATR 298 HOH OT 70 -8.34000000e-01 15.9994 0 + 1428 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0 + 1429 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0 + 1430 WATR 299 HOH OT 70 -8.34000000e-01 15.9994 0 + 1431 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0 + 1432 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0 + 1433 WATR 300 HOH OT 70 -8.34000000e-01 15.9994 0 + 1434 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0 + 1435 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0 + 1436 WATR 301 HOH OT 70 -8.34000000e-01 15.9994 0 + 1437 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0 + 1438 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0 + 1439 WATR 302 HOH OT 70 -8.34000000e-01 15.9994 0 + 1440 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0 + 1441 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0 + 1442 WATR 303 HOH OT 70 -8.34000000e-01 15.9994 0 + 1443 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0 + 1444 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0 + 1445 WATR 304 HOH OT 70 -8.34000000e-01 15.9994 0 + 1446 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0 + 1447 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0 + 1448 WATR 305 HOH OT 70 -8.34000000e-01 15.9994 0 + 1449 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0 + 1450 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0 + 1451 WATR 306 HOH OT 70 -8.34000000e-01 15.9994 0 + 1452 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0 + 1453 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0 + 1454 WATR 307 HOH OT 70 -8.34000000e-01 15.9994 0 + 1455 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0 + 1456 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0 + 1457 WATR 308 HOH OT 70 -8.34000000e-01 15.9994 0 + 1458 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0 + 1459 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0 + 1460 WATR 309 HOH OT 70 -8.34000000e-01 15.9994 0 + 1461 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0 + 1462 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0 + 1463 WATR 310 HOH OT 70 -8.34000000e-01 15.9994 0 + 1464 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0 + 1465 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0 + 1466 WATR 311 HOH OT 70 -8.34000000e-01 15.9994 0 + 1467 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0 + 1468 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0 + 1469 SALT 9 ION SOD 90 1.00000000e+00 22.9897 0 + 1470 WATR 312 HOH OT 70 -8.34000000e-01 15.9994 0 + 1471 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0 + 1472 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0 + 1473 WATR 313 HOH OT 70 -8.34000000e-01 15.9994 0 + 1474 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0 + 1475 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0 + 1476 WATR 314 HOH OT 70 -8.34000000e-01 15.9994 0 + 1477 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0 + 1478 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0 + 1479 WATR 315 HOH OT 70 -8.34000000e-01 15.9994 0 + 1480 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0 + 1481 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0 + 1482 WATR 316 HOH OT 70 -8.34000000e-01 15.9994 0 + 1483 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0 + 1484 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0 + 1485 WATR 317 HOH OT 70 -8.34000000e-01 15.9994 0 + 1486 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0 + 1487 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0 + 1488 WATR 318 HOH OT 70 -8.34000000e-01 15.9994 0 + 1489 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0 + 1490 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0 + 1491 WATR 319 HOH OT 70 -8.34000000e-01 15.9994 0 + 1492 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0 + 1493 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0 + 1494 WATR 320 HOH OT 70 -8.34000000e-01 15.9994 0 + 1495 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0 + 1496 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0 + 1497 WATR 321 HOH OT 70 -8.34000000e-01 15.9994 0 + 1498 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0 + 1499 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0 + 1500 WATR 322 HOH OT 70 -8.34000000e-01 15.9994 0 + 1501 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0 + 1502 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0 + 1503 WATR 323 HOH OT 70 -8.34000000e-01 15.9994 0 + 1504 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0 + 1505 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0 + 1506 WATR 324 HOH OT 70 -8.34000000e-01 15.9994 0 + 1507 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0 + 1508 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0 + 1509 WATR 325 HOH OT 70 -8.34000000e-01 15.9994 0 + 1510 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0 + 1511 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0 + 1512 WATR 326 HOH OT 70 -8.34000000e-01 15.9994 0 + 1513 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0 + 1514 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0 + 1515 WATR 327 HOH OT 70 -8.34000000e-01 15.9994 0 + 1516 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0 + 1517 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0 + 1518 WATR 328 HOH OT 70 -8.34000000e-01 15.9994 0 + 1519 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0 + 1520 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0 + 1521 WATR 329 HOH OT 70 -8.34000000e-01 15.9994 0 + 1522 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0 + 1523 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0 + 1524 WATR 330 HOH OT 70 -8.34000000e-01 15.9994 0 + 1525 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0 + 1526 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0 + 1527 WATR 331 HOH OT 70 -8.34000000e-01 15.9994 0 + 1528 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0 + 1529 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0 + 1530 WATR 332 HOH OT 70 -8.34000000e-01 15.9994 0 + 1531 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0 + 1532 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0 + 1533 WATR 333 HOH OT 70 -8.34000000e-01 15.9994 0 + 1534 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0 + 1535 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0 + 1536 WATR 334 HOH OT 70 -8.34000000e-01 15.9994 0 + 1537 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0 + 1538 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0 + 1539 WATR 335 HOH OT 70 -8.34000000e-01 15.9994 0 + 1540 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0 + 1541 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0 + 1542 WATR 336 HOH OT 70 -8.34000000e-01 15.9994 0 + 1543 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0 + 1544 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0 + 1545 WATR 337 HOH OT 70 -8.34000000e-01 15.9994 0 + 1546 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0 + 1547 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0 + 1548 WATR 338 HOH OT 70 -8.34000000e-01 15.9994 0 + 1549 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0 + 1550 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0 + 1551 WATR 339 HOH OT 70 -8.34000000e-01 15.9994 0 + 1552 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0 + 1553 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0 + 1554 WATR 340 HOH OT 70 -8.34000000e-01 15.9994 0 + 1555 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0 + 1556 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0 + 1557 WATR 341 HOH OT 70 -8.34000000e-01 15.9994 0 + 1558 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0 + 1559 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0 + 1560 WATR 342 HOH OT 70 -8.34000000e-01 15.9994 0 + 1561 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0 + 1562 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0 + 1563 WATR 343 HOH OT 70 -8.34000000e-01 15.9994 0 + 1564 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0 + 1565 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0 + 1566 WATR 344 HOH OT 70 -8.34000000e-01 15.9994 0 + 1567 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0 + 1568 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0 + 1569 WATR 345 HOH OT 70 -8.34000000e-01 15.9994 0 + 1570 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0 + 1571 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0 + 1572 WATR 346 HOH OT 70 -8.34000000e-01 15.9994 0 + 1573 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0 + 1574 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0 + 1575 WATR 347 HOH OT 70 -8.34000000e-01 15.9994 0 + 1576 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0 + 1577 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0 + 1578 WATR 348 HOH OT 70 -8.34000000e-01 15.9994 0 + 1579 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0 + 1580 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0 + 1581 WATR 349 HOH OT 70 -8.34000000e-01 15.9994 0 + 1582 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0 + 1583 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0 + 1584 WATR 350 HOH OT 70 -8.34000000e-01 15.9994 0 + 1585 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0 + 1586 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0 + 1587 WATR 351 HOH OT 70 -8.34000000e-01 15.9994 0 + 1588 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0 + 1589 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0 + 1590 WATR 352 HOH OT 70 -8.34000000e-01 15.9994 0 + 1591 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0 + 1592 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0 + 1593 WATR 353 HOH OT 70 -8.34000000e-01 15.9994 0 + 1594 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0 + 1595 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0 + 1596 WATR 354 HOH OT 70 -8.34000000e-01 15.9994 0 + 1597 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0 + 1598 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0 + 1599 WATR 355 HOH OT 70 -8.34000000e-01 15.9994 0 + 1600 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0 + 1601 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0 + 1602 WATR 356 HOH OT 70 -8.34000000e-01 15.9994 0 + 1603 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0 + 1604 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0 + 1605 WATR 357 HOH OT 70 -8.34000000e-01 15.9994 0 + 1606 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0 + 1607 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0 + 1608 WATR 358 HOH OT 70 -8.34000000e-01 15.9994 0 + 1609 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0 + 1610 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0 + 1611 WATR 359 HOH OT 70 -8.34000000e-01 15.9994 0 + 1612 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0 + 1613 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0 + 1614 WATR 360 HOH OT 70 -8.34000000e-01 15.9994 0 + 1615 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0 + 1616 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0 + 1617 WATR 361 HOH OT 70 -8.34000000e-01 15.9994 0 + 1618 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0 + 1619 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0 + 1620 WATR 362 HOH OT 70 -8.34000000e-01 15.9994 0 + 1621 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0 + 1622 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0 + 1623 WATR 363 HOH OT 70 -8.34000000e-01 15.9994 0 + 1624 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0 + 1625 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0 + 1626 WATR 364 HOH OT 70 -8.34000000e-01 15.9994 0 + 1627 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0 + 1628 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0 + 1629 WATR 365 HOH OT 70 -8.34000000e-01 15.9994 0 + 1630 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0 + 1631 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0 + 1632 WATR 366 HOH OT 70 -8.34000000e-01 15.9994 0 + 1633 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0 + 1634 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0 + 1635 WATR 367 HOH OT 70 -8.34000000e-01 15.9994 0 + 1636 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0 + 1637 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0 + 1638 WATR 368 HOH OT 70 -8.34000000e-01 15.9994 0 + 1639 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0 + 1640 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0 + 1641 WATR 369 HOH OT 70 -8.34000000e-01 15.9994 0 + 1642 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0 + 1643 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0 + 1644 WATR 370 HOH OT 70 -8.34000000e-01 15.9994 0 + 1645 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0 + 1646 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0 + 1647 WATR 371 HOH OT 70 -8.34000000e-01 15.9994 0 + 1648 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0 + 1649 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0 + 1650 WATR 372 HOH OT 70 -8.34000000e-01 15.9994 0 + 1651 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0 + 1652 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0 + 1653 WATR 373 HOH OT 70 -8.34000000e-01 15.9994 0 + 1654 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0 + 1655 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0 + 1656 WATR 374 HOH OT 70 -8.34000000e-01 15.9994 0 + 1657 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0 + 1658 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0 + 1659 WATR 375 HOH OT 70 -8.34000000e-01 15.9994 0 + 1660 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0 + 1661 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0 + 1662 WATR 376 HOH OT 70 -8.34000000e-01 15.9994 0 + 1663 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0 + 1664 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0 + 1665 WATR 377 HOH OT 70 -8.34000000e-01 15.9994 0 + 1666 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0 + 1667 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0 + 1668 WATR 378 HOH OT 70 -8.34000000e-01 15.9994 0 + 1669 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0 + 1670 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0 + 1671 WATR 379 HOH OT 70 -8.34000000e-01 15.9994 0 + 1672 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0 + 1673 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0 + 1674 WATR 380 HOH OT 70 -8.34000000e-01 15.9994 0 + 1675 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0 + 1676 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0 + 1677 WATR 381 HOH OT 70 -8.34000000e-01 15.9994 0 + 1678 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0 + 1679 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0 + 1680 WATR 382 HOH OT 70 -8.34000000e-01 15.9994 0 + 1681 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0 + 1682 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0 + 1683 WATR 383 HOH OT 70 -8.34000000e-01 15.9994 0 + 1684 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0 + 1685 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0 + 1686 WATR 384 HOH OT 70 -8.34000000e-01 15.9994 0 + 1687 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0 + 1688 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0 + 1689 WATR 385 HOH OT 70 -8.34000000e-01 15.9994 0 + 1690 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0 + 1691 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0 + 1692 WATR 386 HOH OT 70 -8.34000000e-01 15.9994 0 + 1693 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0 + 1694 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0 + 1695 WATR 387 HOH OT 70 -8.34000000e-01 15.9994 0 + 1696 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0 + 1697 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0 + 1698 WATR 388 HOH OT 70 -8.34000000e-01 15.9994 0 + 1699 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0 + 1700 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0 + 1701 WATR 389 HOH OT 70 -8.34000000e-01 15.9994 0 + 1702 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0 + 1703 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0 + 1704 WATR 390 HOH OT 70 -8.34000000e-01 15.9994 0 + 1705 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0 + 1706 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0 + 1707 WATR 391 HOH OT 70 -8.34000000e-01 15.9994 0 + 1708 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0 + 1709 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0 + 1710 WATR 392 HOH OT 70 -8.34000000e-01 15.9994 0 + 1711 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0 + 1712 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0 + 1713 WATR 393 HOH OT 70 -8.34000000e-01 15.9994 0 + 1714 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0 + 1715 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0 + 1716 WATR 394 HOH OT 70 -8.34000000e-01 15.9994 0 + 1717 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0 + 1718 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0 + 1719 WATR 395 HOH OT 70 -8.34000000e-01 15.9994 0 + 1720 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0 + 1721 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0 + 1722 SALT 10 ION SOD 90 1.00000000e+00 22.9897 0 + 1723 WATR 396 HOH OT 70 -8.34000000e-01 15.9994 0 + 1724 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0 + 1725 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0 + 1726 WATR 397 HOH OT 70 -8.34000000e-01 15.9994 0 + 1727 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0 + 1728 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0 + 1729 WATR 398 HOH OT 70 -8.34000000e-01 15.9994 0 + 1730 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0 + 1731 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0 + 1732 WATR 399 HOH OT 70 -8.34000000e-01 15.9994 0 + 1733 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0 + 1734 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0 + 1735 WATR 400 HOH OT 70 -8.34000000e-01 15.9994 0 + 1736 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0 + 1737 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0 + 1738 WATR 401 HOH OT 70 -8.34000000e-01 15.9994 0 + 1739 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0 + 1740 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0 + 1741 WATR 402 HOH OT 70 -8.34000000e-01 15.9994 0 + 1742 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0 + 1743 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0 + 1744 WATR 403 HOH OT 70 -8.34000000e-01 15.9994 0 + 1745 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0 + 1746 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0 + 1747 WATR 404 HOH OT 70 -8.34000000e-01 15.9994 0 + 1748 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0 + 1749 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0 + 1750 WATR 405 HOH OT 70 -8.34000000e-01 15.9994 0 + 1751 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0 + 1752 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0 + 1753 WATR 406 HOH OT 70 -8.34000000e-01 15.9994 0 + 1754 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0 + 1755 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0 + 1756 WATR 407 HOH OT 70 -8.34000000e-01 15.9994 0 + 1757 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0 + 1758 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0 + 1759 WATR 408 HOH OT 70 -8.34000000e-01 15.9994 0 + 1760 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0 + 1761 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0 + 1762 WATR 409 HOH OT 70 -8.34000000e-01 15.9994 0 + 1763 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0 + 1764 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0 + 1765 WATR 410 HOH OT 70 -8.34000000e-01 15.9994 0 + 1766 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0 + 1767 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0 + 1768 WATR 411 HOH OT 70 -8.34000000e-01 15.9994 0 + 1769 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0 + 1770 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0 + 1771 WATR 412 HOH OT 70 -8.34000000e-01 15.9994 0 + 1772 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0 + 1773 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0 + 1774 WATR 413 HOH OT 70 -8.34000000e-01 15.9994 0 + 1775 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0 + 1776 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0 + 1777 WATR 414 HOH OT 70 -8.34000000e-01 15.9994 0 + 1778 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0 + 1779 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0 + 1780 WATR 415 HOH OT 70 -8.34000000e-01 15.9994 0 + 1781 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0 + 1782 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0 + 1783 SALT 11 ION SOD 90 1.00000000e+00 22.9897 0 + 1784 WATR 416 HOH OT 70 -8.34000000e-01 15.9994 0 + 1785 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0 + 1786 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0 + 1787 WATR 417 HOH OT 70 -8.34000000e-01 15.9994 0 + 1788 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0 + 1789 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0 + 1790 WATR 418 HOH OT 70 -8.34000000e-01 15.9994 0 + 1791 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0 + 1792 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0 + 1793 WATR 419 HOH OT 70 -8.34000000e-01 15.9994 0 + 1794 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0 + 1795 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0 + 1796 WATR 420 HOH OT 70 -8.34000000e-01 15.9994 0 + 1797 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0 + 1798 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0 + 1799 WATR 421 HOH OT 70 -8.34000000e-01 15.9994 0 + 1800 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0 + 1801 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0 + 1802 WATR 422 HOH OT 70 -8.34000000e-01 15.9994 0 + 1803 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0 + 1804 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0 + 1805 WATR 423 HOH OT 70 -8.34000000e-01 15.9994 0 + 1806 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0 + 1807 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0 + 1808 WATR 424 HOH OT 70 -8.34000000e-01 15.9994 0 + 1809 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0 + 1810 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0 + 1811 SALT 12 ION SOD 90 1.00000000e+00 22.9897 0 + 1812 WATR 425 HOH OT 70 -8.34000000e-01 15.9994 0 + 1813 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0 + 1814 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0 + 1815 WATR 426 HOH OT 70 -8.34000000e-01 15.9994 0 + 1816 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0 + 1817 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0 + 1818 WATR 427 HOH OT 70 -8.34000000e-01 15.9994 0 + 1819 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0 + 1820 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0 + 1821 WATR 428 HOH OT 70 -8.34000000e-01 15.9994 0 + 1822 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0 + 1823 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0 + 1824 WATR 429 HOH OT 70 -8.34000000e-01 15.9994 0 + 1825 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0 + 1826 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0 + 1827 WATR 430 HOH OT 70 -8.34000000e-01 15.9994 0 + 1828 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0 + 1829 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0 + 1830 WATR 431 HOH OT 70 -8.34000000e-01 15.9994 0 + 1831 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0 + 1832 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0 + 1833 WATR 432 HOH OT 70 -8.34000000e-01 15.9994 0 + 1834 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0 + 1835 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0 + 1836 WATR 433 HOH OT 70 -8.34000000e-01 15.9994 0 + 1837 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0 + 1838 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0 + 1839 WATR 434 HOH OT 70 -8.34000000e-01 15.9994 0 + 1840 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0 + 1841 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0 + 1842 WATR 435 HOH OT 70 -8.34000000e-01 15.9994 0 + 1843 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0 + 1844 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0 + 1845 SALT 13 ION SOD 90 1.00000000e+00 22.9897 0 + 1846 WATR 436 HOH OT 70 -8.34000000e-01 15.9994 0 + 1847 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0 + 1848 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0 + 1849 WATR 437 HOH OT 70 -8.34000000e-01 15.9994 0 + 1850 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0 + 1851 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0 + 1852 WATR 438 HOH OT 70 -8.34000000e-01 15.9994 0 + 1853 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0 + 1854 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0 + 1855 WATR 439 HOH OT 70 -8.34000000e-01 15.9994 0 + 1856 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0 + 1857 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0 + 1858 WATR 440 HOH OT 70 -8.34000000e-01 15.9994 0 + 1859 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0 + 1860 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0 + 1861 WATR 441 HOH OT 70 -8.34000000e-01 15.9994 0 + 1862 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0 + 1863 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0 + 1864 WATR 442 HOH OT 70 -8.34000000e-01 15.9994 0 + 1865 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0 + 1866 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0 + 1867 WATR 443 HOH OT 70 -8.34000000e-01 15.9994 0 + 1868 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0 + 1869 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0 + 1870 WATR 444 HOH OT 70 -8.34000000e-01 15.9994 0 + 1871 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0 + 1872 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0 + 1873 WATR 445 HOH OT 70 -8.34000000e-01 15.9994 0 + 1874 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0 + 1875 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0 + 1876 WATR 446 HOH OT 70 -8.34000000e-01 15.9994 0 + 1877 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0 + 1878 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0 + 1879 WATR 447 HOH OT 70 -8.34000000e-01 15.9994 0 + 1880 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0 + 1881 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0 + 1882 WATR 448 HOH OT 70 -8.34000000e-01 15.9994 0 + 1883 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0 + 1884 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0 + 1885 WATR 449 HOH OT 70 -8.34000000e-01 15.9994 0 + 1886 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0 + 1887 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0 + 1888 WATR 450 HOH OT 70 -8.34000000e-01 15.9994 0 + 1889 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0 + 1890 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0 + 1891 WATR 451 HOH OT 70 -8.34000000e-01 15.9994 0 + 1892 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0 + 1893 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0 + 1894 WATR 452 HOH OT 70 -8.34000000e-01 15.9994 0 + 1895 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0 + 1896 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0 + 1897 WATR 453 HOH OT 70 -8.34000000e-01 15.9994 0 + 1898 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0 + 1899 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0 + 1900 WATR 454 HOH OT 70 -8.34000000e-01 15.9994 0 + 1901 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0 + 1902 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0 + 1903 WATR 455 HOH OT 70 -8.34000000e-01 15.9994 0 + 1904 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0 + 1905 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0 + 1906 WATR 456 HOH OT 70 -8.34000000e-01 15.9994 0 + 1907 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0 + 1908 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0 + 1909 WATR 457 HOH OT 70 -8.34000000e-01 15.9994 0 + 1910 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0 + 1911 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0 + 1912 WATR 458 HOH OT 70 -8.34000000e-01 15.9994 0 + 1913 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0 + 1914 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0 + 1915 SALT 14 ION SOD 90 1.00000000e+00 22.9897 0 + 1916 WATR 459 HOH OT 70 -8.34000000e-01 15.9994 0 + 1917 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0 + 1918 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0 + 1919 WATR 460 HOH OT 70 -8.34000000e-01 15.9994 0 + 1920 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0 + 1921 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0 + 1922 WATR 461 HOH OT 70 -8.34000000e-01 15.9994 0 + 1923 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0 + 1924 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0 + 1925 WATR 462 HOH OT 70 -8.34000000e-01 15.9994 0 + 1926 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0 + 1927 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0 + 1928 WATR 463 HOH OT 70 -8.34000000e-01 15.9994 0 + 1929 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0 + 1930 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0 + 1931 WATR 464 HOH OT 70 -8.34000000e-01 15.9994 0 + 1932 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0 + 1933 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0 + 1934 SALT 15 ION SOD 90 1.00000000e+00 22.9897 0 + 1935 WATR 465 HOH OT 70 -8.34000000e-01 15.9994 0 + 1936 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0 + 1937 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0 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4.17000000e-01 1.00800 0 + 1958 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0 + 1959 WATR 473 HOH OT 70 -8.34000000e-01 15.9994 0 + 1960 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0 + 1961 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0 + 1962 WATR 474 HOH OT 70 -8.34000000e-01 15.9994 0 + 1963 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0 + 1964 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0 + 1965 SALT 16 ION SOD 90 1.00000000e+00 22.9897 0 + 1966 WATR 475 HOH OT 70 -8.34000000e-01 15.9994 0 + 1967 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0 + 1968 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0 + + 1516 !NBOND: bonds + 1 2 1 3 1 4 4 5 + 5 8 5 6 5 7 8 10 + 8 31 8 9 10 11 11 13 + 11 27 11 12 13 22 13 16 + 14 15 15 16 16 17 18 23 + 19 18 19 20 19 21 22 21 + 22 14 23 24 23 14 24 25 + 24 26 27 31 27 29 27 28 + 29 30 31 33 31 32 33 34 + 34 35 34 36 34 37 37 38 + 38 41 38 39 38 40 41 43 + 41 64 41 42 43 44 44 46 + 44 60 44 45 46 49 46 47 + 47 48 49 51 49 50 51 52 + 51 53 53 55 53 54 55 56 + 55 47 56 57 56 58 56 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