CT C O
CT  C   OS           1   115.000    669.440 

CT C O
CT  C   OS           1   115.000    669.440 

C N H
H5  C   N            1   120.000    418.400 

C N H
H5  C   N            1   120.000    418.400 

CA CA CA
CA  CA  OH           1   120.000    585.760 

CA CA CA
CA  CA  OH           1   120.000    585.760 

CA CA C
CA  CA  OH           1   120.000    585.760 

CA C CA
CA  CA  OH           1   120.000    585.760 

C CA CA
CA  CA  OH           1   120.000    585.760 

CA CA CA
CA  CA  OH           1   120.000    585.760 

CA CA CA
CA  OH  HO           1   113.000    418.400 

CA CA CA
CA  OH  HO           1   113.000    418.400 

CA CA C
CA  OH  HO           1   113.000    418.400 

CA C CA
CA  OH  HO           1   113.000    418.400 

C CA CA
CA  OH  HO           1   113.000    418.400 

CA CA CA
CA  OH  HO           1   113.000    418.400 

CA CA CA
F   CA  CA           1   121.000    585.760 

CA CA CA
F   CA  CA           1   121.000    585.760 

CA CA C
F   CA  CA           1   121.000    585.760 

CA C CA
F   CA  CA           1   121.000    585.760 

C CA CA
F   CA  CA           1   121.000    585.760 

CA CA CA
F   CA  CA           1   121.000    585.760 

CA CA CA
Cl  CA  CA           1   118.800    585.760 

CA CA CA
Cl  CA  CA           1   118.800    585.760 

CA CA C
Cl  CA  CA           1   118.800    585.760 

CA C CA
Cl  CA  CA           1   118.800    585.760 

C CA CA
Cl  CA  CA           1   118.800    585.760 

CA CA CA
Cl  CA  CA           1   118.800    585.760 

CA CA CA
Br  CA  CA           1   118.800    585.760 

CA CA CA
Br  CA  CA           1   118.800    585.760 

CA CA C
Br  CA  CA           1   118.800    585.760 

CA C CA
Br  CA  CA           1   118.800    585.760 

C CA CA
Br  CA  CA           1   118.800    585.760 

CA CA CA
Br  CA  CA           1   118.800    585.760 

CA CA CA
I   CA  CA           1   118.800    585.760 

CA CA CA
I   CA  CA           1   118.800    585.760 

CA CA C
I   CA  CA           1   118.800    585.760 

CA C CA
I   CA  CA           1   118.800    585.760 

C CA CA
I   CA  CA           1   118.800    585.760 

CA CA CA
I   CA  CA           1   118.800    585.760 

H1 CT C
H1  CT  CM           1   109.500    418.400 

H1 CT H1
H1  CT  CM           1   109.500    418.400 

H1 CT H1
H1  CT  CM           1   109.500    418.400 

H1 CT H1
H1  CT  CM           1   109.500    418.400 

HC CT HC
HC  CT  CM           1   109.500    418.400 

HC CT HC
HC  CT  CM           1   109.500    418.400 

HC CT C
HC  CT  CM           1   109.500    418.400 

HC CT HC
HC  CT  CM           1   109.500    418.400 

HC CT C
HC  CT  CM           1   109.500    418.400 

HC CT C
HC  CT  CM           1   109.500    418.400 

CT C O
C   CT  OS           1   109.500    502.080 

CT C O
C   CT  OS           1   109.500    502.080 

CT C O
CM  CT  OS           1   109.500    418.400 

CT C O
CM  CT  OS           1   109.500    418.400 

CA CA CA
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

CA CA CA
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

CA CA C
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

CA C CA
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

C CA CA
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

CA CA CA
CT  CT  CA           1   1.125722932331e+02    5.258664849992e+02   ; AMBER-FB15

BY CT C
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CT BY CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

BY CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

BY CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA C
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA C CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

C CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  BY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA C
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA C CA
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

C CA CA
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CA CA CA
CA  bY  CT           1   1.125722932331e+02    5.258664849992e+02   ; PRM 4 5

CT C O
OS  CT  OS           1   101.000    502.080 

CT C O
OS  CT  OS           1   101.000    502.080 

H1 CT C
Cl  CT  H1           1   108.500    418.400 

H1 CT H1
Cl  CT  H1           1   108.500    418.400 

H1 CT H1
Cl  CT  H1           1   108.500    418.400 

H1 CT H1
Cl  CT  H1           1   108.500    418.400 

H1 CT C
Br  CT  H1           1   106.500    418.400 

H1 CT H1
Br  CT  H1           1   106.500    418.400 

H1 CT H1
Br  CT  H1           1   106.500    418.400 

H1 CT H1
Br  CT  H1           1   106.500    418.400 

CT C O
CT  C   O            1   1.211871164788e+02    6.620872001642e+02   ; AMBER-FB15

CT C O
CT  C   O            1   1.211871164788e+02    6.620872001642e+02   ; AMBER-FB15

CT C O
CT  C   O2           1   1.174017238288e+02    5.879878692820e+02   ; AMBER-FB15

CT C O
CT  C   O2           1   1.174017238288e+02    5.879878692820e+02   ; AMBER-FB15

CT C O
CT  C   OH           1   1.096352218818e+02    6.705800775256e+02   ; AMBER-FB15

CT C O
CT  C   OH           1   1.096352218818e+02    6.705800775256e+02   ; AMBER-FB15

O C N
N*  C   O            1   120.900    669.440 

O C N
N*  C   O            1   120.900    669.440 

O C N
NA  C   O            1   120.600    669.440 

O C N
NA  C   O            1   120.600    669.440 

O C N
NC  C   O            1   122.500    669.440 

O C N
NC  C   O            1   122.500    669.440 

CT C N
CT  C   N            1   1.152858064143e+02    5.870345173519e+02   ; AMBER-FB15

C N CT
CT  C   N            1   1.152858064143e+02    5.870345173519e+02   ; AMBER-FB15

N CT C
CT  C   N            1   1.152858064143e+02    5.870345173519e+02   ; AMBER-FB15

CT C N
CT  C   N            1   1.152858064143e+02    5.870345173519e+02   ; AMBER-FB15

C N CT
CT  C   N            1   1.152858064143e+02    5.870345173519e+02   ; AMBER-FB15

O C N
N   C   O            1   1.228805752536e+02    6.741954237946e+02   ; AMBER-FB15

O C N
N   C   O            1   1.228805752536e+02    6.741954237946e+02   ; AMBER-FB15

CA CA CA
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

CA CA CA
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

CA CA C
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

CA C CA
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

C CA CA
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

CA CA CA
CA  C   CA           1   1.200215130362e+02    5.270152037214e+02   ; AMBER-FB15

CA CA CA
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

CA CA CA
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

CA CA C
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

CA C CA
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

C CA CA
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

CA CA CA
CA  C   OH           1   1.199868308054e+02    5.851636688794e+02   ; AMBER-FB15

CA CA CA
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

CA CA CA
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

CA CA C
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

CA C CA
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

C CA CA
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

CA CA CA
C   CA  CA           1   1.199734238701e+02    5.269932650292e+02   ; AMBER-FB15

CA CA CA
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

CA CA CA
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

CA CA C
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

CA C CA
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

C CA CA
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

CA CA CA
CA  CA  CA           1   1.200597570384e+02    5.262120782925e+02   ; AMBER-FB15

CA CA CA
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

CA CA CA
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

CA CA C
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

CA C CA
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

C CA CA
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

CA CA CA
CA  CA  CB           1   1.199111173229e+02    5.269429533201e+02   ; AMBER-FB15

CA CA CA
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

CA CA CA
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

CA CA C
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

CA C CA
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

C CA CA
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

CA CA CA
CA  CA  CT           1   1.203865978351e+02    5.842573101447e+02   ; AMBER-FB15

BY CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

BY CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA C
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA C CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

C CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
BY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA C
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA C CA
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

C CA CA
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
bY  CA  CA           1   1.203865978351e+02    5.842573101447e+02   ; PRM 4 5

CA CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA HA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

HA CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA HA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA C
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

HA CA C
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA C CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

C CA HA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

C CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

HA CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA CA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA HA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA HA
CA  CA  HA           1   1.196228331256e+02    3.875657458011e+02   ; AMBER-FB15

CA CA CA
CA  CA  H4           1   120.000    418.400 

CA CA CA
CA  CA  H4           1   120.000    418.400 

CA CA C
CA  CA  H4           1   120.000    418.400 

CA C CA
CA  CA  H4           1   120.000    418.400 

C CA CA
CA  CA  H4           1   120.000    418.400 

CA CA CA
CA  CA  H4           1   120.000    418.400 

CA CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA HA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

HA CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA HA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA C
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

HA CA C
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA C CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

C CA HA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

C CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

HA CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA CA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA HA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA HA
CB  CA  HA           1   1.199408140004e+02    4.175057276771e+02   ; AMBER-FB15

CA CA CA
CB  CA  H4           1   120.000    418.400 

CA CA CA
CB  CA  H4           1   120.000    418.400 

CA CA C
CB  CA  H4           1   120.000    418.400 

CA C CA
CB  CA  H4           1   120.000    418.400 

C CA CA
CB  CA  H4           1   120.000    418.400 

CA CA CA
CB  CA  H4           1   120.000    418.400 

CA CA CA
CB  CA  N2           1   123.500    585.760 

CA CA CA
CB  CA  N2           1   123.500    585.760 

CA CA C
CB  CA  N2           1   123.500    585.760 

CA C CA
CB  CA  N2           1   123.500    585.760 

C CA CA
CB  CA  N2           1   123.500    585.760 

CA CA CA
CB  CA  N2           1   123.500    585.760 

CA CA CA
CB  CA  NC           1   117.300    585.760 

CA CA CA
CB  CA  NC           1   117.300    585.760 

CA CA C
CB  CA  NC           1   117.300    585.760 

CA C CA
CB  CA  NC           1   117.300    585.760 

C CA CA
CB  CA  NC           1   117.300    585.760 

CA CA CA
CB  CA  NC           1   117.300    585.760 

CA CA CA
CM  CA  N2           1   120.100    585.760 

CA CA CA
CM  CA  N2           1   120.100    585.760 

CA CA C
CM  CA  N2           1   120.100    585.760 

CA C CA
CM  CA  N2           1   120.100    585.760 

C CA CA
CM  CA  N2           1   120.100    585.760 

CA CA CA
CM  CA  N2           1   120.100    585.760 

CA CA CA
CM  CA  NC           1   121.500    585.760 

CA CA CA
CM  CA  NC           1   121.500    585.760 

CA CA C
CM  CA  NC           1   121.500    585.760 

CA C CA
CM  CA  NC           1   121.500    585.760 

C CA CA
CM  CA  NC           1   121.500    585.760 

CA CA CA
CM  CA  NC           1   121.500    585.760 

CA CA CA
N2  CA  NA           1   116.000    585.760 

CA CA CA
N2  CA  NA           1   116.000    585.760 

CA CA C
N2  CA  NA           1   116.000    585.760 

CA C CA
N2  CA  NA           1   116.000    585.760 

C CA CA
N2  CA  NA           1   116.000    585.760 

CA CA CA
N2  CA  NA           1   116.000    585.760 

CA CA CA
N2  CA  NC           1   119.300    585.760 

CA CA CA
N2  CA  NC           1   119.300    585.760 

CA CA C
N2  CA  NC           1   119.300    585.760 

CA C CA
N2  CA  NC           1   119.300    585.760 

C CA CA
N2  CA  NC           1   119.300    585.760 

CA CA CA
N2  CA  NC           1   119.300    585.760 

CA CA CA
NA  CA  NC           1   123.300    585.760 

CA CA CA
NA  CA  NC           1   123.300    585.760 

CA CA C
NA  CA  NC           1   123.300    585.760 

CA C CA
NA  CA  NC           1   123.300    585.760 

C CA CA
NA  CA  NC           1   123.300    585.760 

CA CA CA
NA  CA  NC           1   123.300    585.760 

CA CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA HA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

HA CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA HA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA C
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

HA CA C
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA C CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

C CA HA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

C CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

HA CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA CA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA HA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA HA
C   CA  HA           1   1.199328479403e+02    4.152750672966e+02   ; AMBER-FB15

CA CA CA
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

CA CA CA
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

CA CA C
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

CA C CA
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

C CA CA
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

CA CA CA
N2  CA  N2           1   1.200187318693e+02    5.853058644319e+02   ; AMBER-FB15

C N H
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA HA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

HA CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA HA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA C
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

HA CA C
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA C CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

C CA HA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

C CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

HA CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA CA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA HA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA HA
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

C N H
CN  CA  HA           1   1.201005112047e+02    4.167520555425e+02   ; AMBER-FB15

CA CA CA
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

CA CA CA
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

CA CA C
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

CA C CA
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

C CA CA
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

CA CA CA
CA  CA  CN           1   1.199794611843e+02    5.270123348344e+02   ; AMBER-FB15

CA CA CA
CA  CB  CB           1   117.300    527.184 

CA CA CA
CA  CB  CB           1   117.300    527.184 

CA CA C
CA  CB  CB           1   117.300    527.184 

CA C CA
CA  CB  CB           1   117.300    527.184 

C CA CA
CA  CB  CB           1   117.300    527.184 

CA CA CA
CA  CB  CB           1   117.300    527.184 

CA CA CA
CA  CB  NB           1   132.400    585.760 

CA CA CA
CA  CB  NB           1   132.400    585.760 

CA CA C
CA  CB  NB           1   132.400    585.760 

CA C CA
CA  CB  NB           1   132.400    585.760 

C CA CA
CA  CB  NB           1   132.400    585.760 

CA CA CA
CA  CB  NB           1   132.400    585.760 

CA CA CA
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

CA CA CA
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

CA CA C
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

CA C CA
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

C CA CA
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

CA CA CA
C*  CB  CA           1   1.347292695364e+02    5.266475083997e+02   ; AMBER-FB15

CA CA CA
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

CA CA CA
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

CA CA C
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

CA C CA
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

C CA CA
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

CA CA CA
CA  CB  CN           1   1.164360711646e+02    5.266620915250e+02   ; AMBER-FB15

C N H
H5  CK  N*           1   123.050    418.400 

C N H
H5  CK  N*           1   123.050    418.400 

C N H
H5  CK  NB           1   123.050    418.400 

C N H
H5  CK  NB           1   123.050    418.400 

CA CA CA
CA  CM  CM           1   117.000    527.184 

CA CA CA
CA  CM  CM           1   117.000    527.184 

CA CA C
CA  CM  CM           1   117.000    527.184 

CA C CA
CA  CM  CM           1   117.000    527.184 

C CA CA
CA  CM  CM           1   117.000    527.184 

CA CA CA
CA  CM  CM           1   117.000    527.184 

CA CA CA
CA  CM  HA           1   123.300    418.400 

CA CA HA
CA  CM  HA           1   123.300    418.400 

CA CA CA
CA  CM  HA           1   123.300    418.400 

HA CA CA
CA  CM  HA           1   123.300    418.400 

CA CA HA
CA  CM  HA           1   123.300    418.400 

CA CA C
CA  CM  HA           1   123.300    418.400 

HA CA C
CA  CM  HA           1   123.300    418.400 

CA C CA
CA  CM  HA           1   123.300    418.400 

C CA HA
CA  CM  HA           1   123.300    418.400 

C CA CA
CA  CM  HA           1   123.300    418.400 

HA CA CA
CA  CM  HA           1   123.300    418.400 

CA CA CA
CA  CM  HA           1   123.300    418.400 

CA CA HA
CA  CM  HA           1   123.300    418.400 

CA CA HA
CA  CM  HA           1   123.300    418.400 

CA CA CA
CA  CM  H4           1   123.300    418.400 

CA CA CA
CA  CM  H4           1   123.300    418.400 

CA CA C
CA  CM  H4           1   123.300    418.400 

CA C CA
CA  CM  H4           1   123.300    418.400 

C CA CA
CA  CM  H4           1   123.300    418.400 

CA CA CA
CA  CM  H4           1   123.300    418.400 

C N H
H4  CM  N*           1   119.100    418.400 

C N H
H4  CM  N*           1   119.100    418.400 

C N H
H5  CQ  NC           1   115.450    418.400 

C N H
H5  CQ  NC           1   115.450    418.400 

HC CT HC
CM  CT  HC           1   109.500    418.400 

HC CT HC
CM  CT  HC           1   109.500    418.400 

HC CT C
CM  CT  HC           1   109.500    418.400 

HC CT HC
CM  CT  HC           1   109.500    418.400 

HC CT C
CM  CT  HC           1   109.500    418.400 

HC CT C
CM  CT  HC           1   109.500    418.400 

HC CT HC
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT HC
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT C
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT HC
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT C
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT C
CT  CT  HC           1   1.092873829370e+02    3.913400274358e+02   ; AMBER-FB15

HC CT HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

BY CT C
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

CT BY HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

CT BY HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC BY HC
CT  BY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT HC
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT HC
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT HC
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

HC CT C
CT  bY  HC           1   1.092873829370e+02    3.913400274358e+02   ; PRM 4 5

H1 CT C
CT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; AMBER-FB15

H1 CT H1
CT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; AMBER-FB15

H1 CT H1
CT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; AMBER-FB15

H1 CT H1
CT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; AMBER-FB15

H1 CT BY
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

BY CT C
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
CT  bS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
bS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
CT  BS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BS  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
BS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BS  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
CT  bT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  bT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
bT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
CT  BT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
CT  BT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
BT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
BT  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT C
bY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

H1 CT H1
bY  CT  H1           1   1.112080806985e+02    4.060129801288e+02   ; PRM 4 5

CT C N
CT  CT  N*           1   109.500    418.400 

C N CT
CT  CT  N*           1   109.500    418.400 

N CT C
CT  CT  N*           1   109.500    418.400 

CT C N
CT  CT  N*           1   109.500    418.400 

C N CT
CT  CT  N*           1   109.500    418.400 

CT C O
CT  CT  OH           1   1.098595288300e+02    4.206657110182e+02   ; AMBER-FB15

CT C O
CT  CT  OH           1   1.098595288300e+02    4.206657110182e+02   ; AMBER-FB15

CT C O
CT  CT  OS           1   109.500    418.400 

CT C O
CT  CT  OS           1   109.500    418.400 

HC CT HC
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC CT HC
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC CT C
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC CT HC
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC CT C
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC CT C
HC  CT  HC           1   1.081595967072e+02    2.961239385639e+02   ; AMBER-FB15

HC BY HC
HC  BY  HC           1   1.081595967072e+02    2.961239385639e+02   ; PRM 4 5

H1 CT C
H1  CT  H1           1   1.100645501963e+02    3.066950850304e+02   ; AMBER-FB15

H1 CT H1
H1  CT  H1           1   1.100645501963e+02    3.066950850304e+02   ; AMBER-FB15

H1 CT H1
H1  CT  H1           1   1.100645501963e+02    3.066950850304e+02   ; AMBER-FB15

H1 CT H1
H1  CT  H1           1   1.100645501963e+02    3.066950850304e+02   ; AMBER-FB15

CT C N
H2  CT  N*           1   109.500    418.400 

C N H
H2  CT  N*           1   109.500    418.400 

C N CT
H2  CT  N*           1   109.500    418.400 

H N CT
H2  CT  N*           1   109.500    418.400 

N CT C
H2  CT  N*           1   109.500    418.400 

CT C N
H2  CT  N*           1   109.500    418.400 

C N H
H2  CT  N*           1   109.500    418.400 

C N CT
H2  CT  N*           1   109.500    418.400 

H N CT
H2  CT  N*           1   109.500    418.400 

CT C N
H1  CT  N*           1   109.500    418.400 

C N H
H1  CT  N*           1   109.500    418.400 

C N CT
H1  CT  N*           1   109.500    418.400 

H N CT
H1  CT  N*           1   109.500    418.400 

N CT H1
H1  CT  N*           1   109.500    418.400 

N CT C
H1  CT  N*           1   109.500    418.400 

H1 CT C
H1  CT  N*           1   109.500    418.400 

CT C N
H1  CT  N*           1   109.500    418.400 

C N H
H1  CT  N*           1   109.500    418.400 

C N CT
H1  CT  N*           1   109.500    418.400 

H N CT
H1  CT  N*           1   109.500    418.400 

N CT H1
H1  CT  N*           1   109.500    418.400 

N CT H1
H1  CT  N*           1   109.500    418.400 

N CT H1
H1  CT  N*           1   109.500    418.400 

H1 CT H1
H1  CT  N*           1   109.500    418.400 

H1 CT H1
H1  CT  N*           1   109.500    418.400 

H1 CT H1
H1  CT  N*           1   109.500    418.400 

CT C O
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

H1 CT C
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

CT C O
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

H1 CT H1
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

H1 CT H1
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

H1 CT H1
H1  CT  OH           1   1.094197671414e+02    4.176865645243e+02   ; AMBER-FB15

CT C O
H1  CT  OS           1   109.500    418.400 

H1 CT C
H1  CT  OS           1   109.500    418.400 

CT C O
H1  CT  OS           1   109.500    418.400 

H1 CT H1
H1  CT  OS           1   109.500    418.400 

H1 CT H1
H1  CT  OS           1   109.500    418.400 

H1 CT H1
H1  CT  OS           1   109.500    418.400 

CT C O
H2  CT  OS           1   109.500    418.400 

CT C O
H2  CT  OS           1   109.500    418.400 

CT C O
N*  CT  OS           1   109.500    418.400 

CT C N
N*  CT  OS           1   109.500    418.400 

O C N
N*  CT  OS           1   109.500    418.400 

C N CT
N*  CT  OS           1   109.500    418.400 

N CT C
N*  CT  OS           1   109.500    418.400 

CT C O
N*  CT  OS           1   109.500    418.400 

CT C N
N*  CT  OS           1   109.500    418.400 

O C N
N*  CT  OS           1   109.500    418.400 

C N CT
N*  CT  OS           1   109.500    418.400 

CT C N
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

C N H
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

C N CT
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H N CT
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

N CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

N CT C
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H1 CT C
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

CT C N
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

C N H
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

C N CT
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H N CT
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

N CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

N CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

N CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N            1   1.094537819769e+02    4.222509012816e+02   ; AMBER-FB15

H1 CT C
C   CT  H1           1   1.105395762561e+02    4.057612020822e+02   ; AMBER-FB15

H1 CT H1
C   CT  H1           1   1.105395762561e+02    4.057612020822e+02   ; AMBER-FB15

H1 CT H1
C   CT  H1           1   1.105395762561e+02    4.057612020822e+02   ; AMBER-FB15

H1 CT H1
C   CT  H1           1   1.105395762561e+02    4.057612020822e+02   ; AMBER-FB15

H1 CT C
H1  CT  S            1   1.092844922549e+02    4.152764189905e+02   ; AMBER-FB15

H1 CT H1
H1  CT  S            1   1.092844922549e+02    4.152764189905e+02   ; AMBER-FB15

H1 CT H1
H1  CT  S            1   1.092844922549e+02    4.152764189905e+02   ; AMBER-FB15

H1 CT H1
H1  CT  S            1   1.092844922549e+02    4.152764189905e+02   ; AMBER-FB15

H1 CT C
H1  CT  SH           1   1.091985135819e+02    4.160853437574e+02   ; AMBER-FB15

H1 CT H1
H1  CT  SH           1   1.091985135819e+02    4.160853437574e+02   ; AMBER-FB15

H1 CT H1
H1  CT  SH           1   1.091985135819e+02    4.160853437574e+02   ; AMBER-FB15

H1 CT H1
H1  CT  SH           1   1.091985135819e+02    4.160853437574e+02   ; AMBER-FB15

CT C N
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

C N H
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

C N CT
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H N CT
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

N CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

N CT C
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H1 CT C
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

CT C N
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

C N H
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

C N CT
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H N CT
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

N CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

N CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

N CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

H1 CT H1
H1  CT  N2           1   1.097824844490e+02    4.171191414889e+02   ; AMBER-FB15

CT C N
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

C N H
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

C N CT
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

H N CT
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

N CT C
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

CT C N
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

C N H
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

C N CT
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

H N CT
HP  CT  N3           1   1.092420809930e+02    4.191112678783e+02   ; AMBER-FB15

HC CT HC
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

HC CT HC
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

HC CT C
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

HC CT HC
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

HC CT C
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

HC CT C
C   CT  HC           1   1.080254691694e+02    4.008771926954e+02   ; AMBER-FB15

CT C N
C   CT  N            1   1.069814478289e+02    5.231241213103e+02   ; AMBER-FB15

C N CT
C   CT  N            1   1.069814478289e+02    5.231241213103e+02   ; AMBER-FB15

N CT C
C   CT  N            1   1.069814478289e+02    5.231241213103e+02   ; AMBER-FB15

CT C N
C   CT  N            1   1.069814478289e+02    5.231241213103e+02   ; AMBER-FB15

C N CT
C   CT  N            1   1.069814478289e+02    5.231241213103e+02   ; AMBER-FB15

CT C N
CT  CT  N2           1   1.099369920695e+02    6.693776528254e+02   ; AMBER-FB15

C N CT
CT  CT  N2           1   1.099369920695e+02    6.693776528254e+02   ; AMBER-FB15

N CT C
CT  CT  N2           1   1.099369920695e+02    6.693776528254e+02   ; AMBER-FB15

CT C N
CT  CT  N2           1   1.099369920695e+02    6.693776528254e+02   ; AMBER-FB15

C N CT
CT  CT  N2           1   1.099369920695e+02    6.693776528254e+02   ; AMBER-FB15

CT C N
CT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; AMBER-FB15

C N CT
CT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; AMBER-FB15

N CT C
CT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; AMBER-FB15

CT C N
CT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; AMBER-FB15

C N CT
CT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; AMBER-FB15

CT C N
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT BY
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

BY CT C
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
bS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
BS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
BS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
BS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BS  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
bT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
BT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
BT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
BT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
BT  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

N CT C
bY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

CT C N
bY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

C N CT
bY  CT  N            1   1.105013452918e+02    6.683764720012e+02   ; PRM 4 5

BY CT C
BY  CT  C            1   1.111387051692e+02    5.051949620024e+02   ; PRM 4 5

HC CT HC
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC CT HC
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC CT C
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC CT HC
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC CT C
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC CT C
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

CA CA CA
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

CA CA CA
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

CA CA C
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

CA C CA
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

C CA CA
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

CA CA CA
CA  CT  HC           1   1.102783647923e+02    4.153576029437e+02   ; AMBER-FB15

HC BY HC
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

HC BY CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

HC BY CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

BY CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

BY CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA C
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA C CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

C CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  BY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA C
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA C CA
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

C CA CA
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CA CA CA
CA  bY  HC           1   1.102783647923e+02    4.153576029437e+02   ; PRM 4 5

CT C N
CT  CT  N3           1   1.113393339367e+02    6.692140112232e+02   ; AMBER-FB15

C N CT
CT  CT  N3           1   1.113393339367e+02    6.692140112232e+02   ; AMBER-FB15

N CT C
CT  CT  N3           1   1.113393339367e+02    6.692140112232e+02   ; AMBER-FB15

CT C N
CT  CT  N3           1   1.113393339367e+02    6.692140112232e+02   ; AMBER-FB15

C N CT
CT  CT  N3           1   1.113393339367e+02    6.692140112232e+02   ; AMBER-FB15

HC CT HC
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

HC CT HC
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

HC CT C
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

HC CT HC
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

HC CT C
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

HC CT C
CC  CT  HC           1   1.100323881313e+02    4.160639590195e+02   ; AMBER-FB15

CT C N
C   CT  N3           1   111.200    669.440 

C N CT
C   CT  N3           1   111.200    669.440 

N CT C
C   CT  N3           1   111.200    669.440 

CT C N
C   CT  N3           1   111.200    669.440 

C N CT
C   CT  N3           1   111.200    669.440 

HC CT HC
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

HC CT HC
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

HC CT C
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

HC CT HC
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

HC CT C
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

HC CT C
C*  CT  HC           1   1.098616808752e+02    4.174912973005e+02   ; AMBER-FB15

CT C N
CT  CC  NA           1   1.184780154362e+02    5.907865732885e+02   ; AMBER-FB15

C N CT
CT  CC  NA           1   1.184780154362e+02    5.907865732885e+02   ; AMBER-FB15

N CT C
CT  CC  NA           1   1.184780154362e+02    5.907865732885e+02   ; AMBER-FB15

CT C N
CT  CC  NA           1   1.184780154362e+02    5.907865732885e+02   ; AMBER-FB15

C N CT
CT  CC  NA           1   1.184780154362e+02    5.907865732885e+02   ; AMBER-FB15

CT C N
CT  CC  NB           1   1.200522139652e+02    5.853912190149e+02   ; AMBER-FB15

C N CT
CT  CC  NB           1   1.200522139652e+02    5.853912190149e+02   ; AMBER-FB15

N CT C
CT  CC  NB           1   1.200522139652e+02    5.853912190149e+02   ; AMBER-FB15

CT C N
CT  CC  NB           1   1.200522139652e+02    5.853912190149e+02   ; AMBER-FB15

C N CT
CT  CC  NB           1   1.200522139652e+02    5.853912190149e+02   ; AMBER-FB15

C N H
H5  CR  NA           1   1.195913645024e+02    4.163424428614e+02   ; AMBER-FB15

C N H
H5  CR  NA           1   1.195913645024e+02    4.163424428614e+02   ; AMBER-FB15

C N H
H5  CR  NB           1   1.202665444823e+02    4.126815944482e+02   ; AMBER-FB15

C N H
H5  CR  NB           1   1.202665444823e+02    4.126815944482e+02   ; AMBER-FB15

C N H
H4  CV  NB           1   1.198419488365e+02    4.174218974660e+02   ; AMBER-FB15

C N H
H4  CV  NB           1   1.198419488365e+02    4.174218974660e+02   ; AMBER-FB15

C N H
H4  CW  NA           1   1.195304921620e+02    4.167841015519e+02   ; AMBER-FB15

C N H
H4  CW  NA           1   1.195304921620e+02    4.167841015519e+02   ; AMBER-FB15

CA CA CA
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

CA CA CA
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

CA CA C
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

CA C CA
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

C CA CA
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

CA CA CA
CA  CN  NA           1   1.325844897763e+02    5.855345610875e+02   ; AMBER-FB15

CA CA CA
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

CA CA CA
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

CA CA C
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

CA C CA
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

C CA CA
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

CA CA CA
CA  CN  CB           1   1.226236468016e+02    5.269867647975e+02   ; AMBER-FB15

CT C N
C   N   CT           1   1.167553347353e+02    4.100452866124e+02   ; AMBER-FB15

C N CT
C   N   CT           1   1.167553347353e+02    4.100452866124e+02   ; AMBER-FB15

N CT C
C   N   CT           1   1.167553347353e+02    4.100452866124e+02   ; AMBER-FB15

CT C N
C   N   CT           1   1.167553347353e+02    4.100452866124e+02   ; AMBER-FB15

C N CT
C   N   CT           1   1.167553347353e+02    4.100452866124e+02   ; AMBER-FB15

C N H
C   N   H            1   1.211734724595e+02    3.622470163683e+02   ; AMBER-FB15

C N H
C   N   H            1   1.211734724595e+02    3.622470163683e+02   ; AMBER-FB15

CT C N
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

C N H
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

C N CT
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

H N CT
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

N CT C
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

CT C N
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

C N H
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

C N CT
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

H N CT
CT  N   H            1   1.170954924114e+02    3.603325409055e+02   ; AMBER-FB15

CT C N
CT  N   CT           1   1.176199099407e+02    4.150922121140e+02   ; AMBER-FB15

C N CT
CT  N   CT           1   1.176199099407e+02    4.150922121140e+02   ; AMBER-FB15

N CT C
CT  N   CT           1   1.176199099407e+02    4.150922121140e+02   ; AMBER-FB15

CT C N
CT  N   CT           1   1.176199099407e+02    4.150922121140e+02   ; AMBER-FB15

C N CT
CT  N   CT           1   1.176199099407e+02    4.150922121140e+02   ; AMBER-FB15

CT C N
C   N*  CT           1   117.600    585.760 

C N CT
C   N*  CT           1   117.600    585.760 

N CT C
C   N*  CT           1   117.600    585.760 

CT C N
C   N*  CT           1   117.600    585.760 

C N CT
C   N*  CT           1   117.600    585.760 

C N H
C   N*  H            1   119.200    418.400 

C N H
C   N*  H            1   119.200    418.400 

CT C N
CB  N*  CT           1   125.800    585.760 

C N CT
CB  N*  CT           1   125.800    585.760 

N CT C
CB  N*  CT           1   125.800    585.760 

CT C N
CB  N*  CT           1   125.800    585.760 

C N CT
CB  N*  CT           1   125.800    585.760 

C N H
CB  N*  H            1   125.800    418.400 

C N H
CB  N*  H            1   125.800    418.400 

CT C N
CK  N*  CT           1   128.800    585.760 

C N CT
CK  N*  CT           1   128.800    585.760 

N CT C
CK  N*  CT           1   128.800    585.760 

CT C N
CK  N*  CT           1   128.800    585.760 

C N CT
CK  N*  CT           1   128.800    585.760 

C N H
CK  N*  H            1   128.800    418.400 

C N H
CK  N*  H            1   128.800    418.400 

CT C N
CM  N*  CT           1   121.200    585.760 

C N CT
CM  N*  CT           1   121.200    585.760 

N CT C
CM  N*  CT           1   121.200    585.760 

CT C N
CM  N*  CT           1   121.200    585.760 

C N CT
CM  N*  CT           1   121.200    585.760 

C N H
CM  N*  H            1   121.200    418.400 

C N H
CM  N*  H            1   121.200    418.400 

C N H
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CA CA CA
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CA CA CA
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CA CA C
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CA C CA
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

C CA CA
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CA CA CA
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

C N H
CA  N2  H            1   1.212316404159e+02    4.203163467233e+02   ; AMBER-FB15

CT C N
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

C N H
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

C N CT
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

H N CT
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

N CT C
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

CT C N
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

C N H
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

C N CT
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

H N CT
CT  N2  H            1   1.165317010495e+02    4.211647585023e+02   ; AMBER-FB15

CT C N
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

C N CT
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

N CT C
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CA CA CA
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CA CA CA
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CA CA C
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CA C CA
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

C CA CA
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CA CA CA
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CT C N
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

C N CT
CA  N2  CT           1   1.235750682131e+02    4.167508572810e+02   ; AMBER-FB15

CT C N
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

C N H
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

C N CT
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

H N CT
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

N CT C
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

CT C N
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

C N H
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

C N CT
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

H N CT
CT  N3  H            1   1.084744178542e+02    4.214170272239e+02   ; AMBER-FB15

CT C N
CT  N3  CT           1   109.500    418.400 

C N CT
CT  N3  CT           1   109.500    418.400 

N CT C
CT  N3  CT           1   109.500    418.400 

CT C N
CT  N3  CT           1   109.500    418.400 

C N CT
CT  N3  CT           1   109.500    418.400 

CA CA CA
C   NA  CA           1   125.200    585.760 

CA CA CA
C   NA  CA           1   125.200    585.760 

CA CA C
C   NA  CA           1   125.200    585.760 

CA C CA
C   NA  CA           1   125.200    585.760 

C CA CA
C   NA  CA           1   125.200    585.760 

CA CA CA
C   NA  CA           1   125.200    585.760 

C N H
C   NA  H            1   116.800    418.400 

C N H
C   NA  H            1   116.800    418.400 

C N H
CA  NA  H            1   118.000    418.400 

CA CA CA
CA  NA  H            1   118.000    418.400 

CA CA CA
CA  NA  H            1   118.000    418.400 

CA CA C
CA  NA  H            1   118.000    418.400 

CA C CA
CA  NA  H            1   118.000    418.400 

C CA CA
CA  NA  H            1   118.000    418.400 

CA CA CA
CA  NA  H            1   118.000    418.400 

C N H
CA  NA  H            1   118.000    418.400 

C N H
CC  NA  H            1   1.184400118244e+02    4.197671733686e+02   ; AMBER-FB15

C N H
CC  NA  H            1   1.184400118244e+02    4.197671733686e+02   ; AMBER-FB15

C N H
CR  NA  H            1   1.214759188561e+02    4.046554857135e+02   ; AMBER-FB15

C N H
CR  NA  H            1   1.214759188561e+02    4.046554857135e+02   ; AMBER-FB15

C N H
CW  NA  H            1   1.203686656100e+02    4.119532722123e+02   ; AMBER-FB15

C N H
CW  NA  H            1   1.203686656100e+02    4.119532722123e+02   ; AMBER-FB15

C N H
CN  NA  H            1   1.232260331579e+02    4.167003208494e+02   ; AMBER-FB15

C N H
CN  NA  H            1   1.232260331579e+02    4.167003208494e+02   ; AMBER-FB15

CA CA CA
C   NC  CA           1   120.500    585.760 

CA CA CA
C   NC  CA           1   120.500    585.760 

CA CA C
C   NC  CA           1   120.500    585.760 

CA C CA
C   NC  CA           1   120.500    585.760 

C CA CA
C   NC  CA           1   120.500    585.760 

CA CA CA
C   NC  CA           1   120.500    585.760 

CA CA CA
CA  NC  CB           1   112.200    585.760 

CA CA CA
CA  NC  CB           1   112.200    585.760 

CA CA C
CA  NC  CB           1   112.200    585.760 

CA C CA
CA  NC  CB           1   112.200    585.760 

C CA CA
CA  NC  CB           1   112.200    585.760 

CA CA CA
CA  NC  CB           1   112.200    585.760 

CA CA CA
CA  NC  CQ           1   118.600    585.760 

CA CA CA
CA  NC  CQ           1   118.600    585.760 

CA CA C
CA  NC  CQ           1   118.600    585.760 

CA C CA
CA  NC  CQ           1   118.600    585.760 

C CA CA
CA  NC  CQ           1   118.600    585.760 

CA CA CA
CA  NC  CQ           1   118.600    585.760 

CT C O
CT  OH  HO           1   1.076100520982e+02    4.597303277633e+02   ; AMBER-FB15

CT C O
CT  OH  HO           1   1.076100520982e+02    4.597303277633e+02   ; AMBER-FB15

CT C O
CT  OS  CT           1   109.500    502.080 

CT C O
CT  OS  CT           1   109.500    502.080 

CT C O
CT  OS  P            1   120.500    836.800 

CT C O
CT  OS  P            1   120.500    836.800 

H1 CT C
F   CT  H1           1   109.500    418.400 

H1 CT H1
F   CT  H1           1   109.500    418.400 

H1 CT H1
F   CT  H1           1   109.500    418.400 

H1 CT H1
F   CT  H1           1   109.500    418.400 

CT C O
H1  CT  OZ           1   109.500    418.400 

H1 CT C
H1  CT  OZ           1   109.500    418.400 

CT C O
H1  CT  OZ           1   109.500    418.400 

H1 CT H1
H1  CT  OZ           1   109.500    418.400 

H1 CT H1
H1  CT  OZ           1   109.500    418.400 

H1 CT H1
H1  CT  OZ           1   109.500    418.400 

CT C O
CT  CT  OZ           1   109.500    418.400 

CT C O
CT  CT  OZ           1   109.500    418.400 

CT C O
CT  BS  OZ           1   109.500    418.400 ; PRM 4 5

CT C O
CT  BS  OZ           1   109.500    418.400 ; PRM 4 5

CT C O
CT  BT  OZ           1   109.500    418.400 ; PRM 4 5

CT C O
CT  BT  OZ           1   109.500    418.400 ; PRM 4 5

CT C O
CT  OZ  P            1   120.500    836.800 

CT C O
CT  OZ  P            1   120.500    836.800 

CA CA CA
CA  C   OZ           1   120.000    585.760 

CA CA CA
CA  C   OZ           1   120.000    585.760 

CA CA C
CA  C   OZ           1   120.000    585.760 

CA C CA
CA  C   OZ           1   120.000    585.760 

C CA CA
CA  C   OZ           1   120.000    585.760 

CA CA CA
CA  C   OZ           1   120.000    585.760 

CT C O
H1  CT  OV           1   109.500    418.400 

H1 CT C
H1  CT  OV           1   109.500    418.400 

CT C O
H1  CT  OV           1   109.500    418.400 

H1 CT H1
H1  CT  OV           1   109.500    418.400 

H1 CT H1
H1  CT  OV           1   109.500    418.400 

H1 CT H1
H1  CT  OV           1   109.500    418.400 

CT C O
CT  CT  OV           1   109.500    418.400 

CT C O
CT  CT  OV           1   109.500    418.400 

CT C O
CT  OV  P            1   120.500    836.800 

C OV P
CT  OV  P            1   120.500    836.800 

CT C O
CT  OV  P            1   120.500    836.800 

CA CA CA
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA CA CA
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA CA C
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA C CA
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA C OV
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA C OV
CA  C   OV           1   120.000    585.760 ; PRM 4 5

C CA CA
CA  C   OV           1   120.000    585.760 ; PRM 4 5

CA CA CA
CA  C   OV           1   120.000    585.760 ; PRM 4 5

C OV P
CA  C   OV           1   120.000    585.760 ; PRM 4 5

C OV P
C   OV  P            1   120.500    836.800 ; PRM 4 5

OV P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OV P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OV P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OT P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OT P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OT P OT
OV  P   OT           1   108.230    836.800 ; PRM 4 5

OT P OT
OT  P   OT           1   119.900   1171.520 ; PRM 4 5

OT P OT
OT  P   OT           1   119.900   1171.520 ; PRM 4 5

OT P OT
OT  P   OT           1   119.900   1171.520 ; PRM 4 5

CT C O
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

H1 CT C
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

CT C O
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

H1 CT H1
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

H1 CT H1
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

H1 CT H1
H1  CT  OR           1   109.500    418.400 ; from H1-CT-OS

CT C O
CT  CT  OR           1   109.500    418.400 ; from CT-CT-OS

CT C O
CT  CT  OR           1   109.500    418.400 ; from CT-CT-OS

CT C O
CT  bS  OR           1   109.500    418.400 ; PRM 4 5

CT C O
CT  bS  OR           1   109.500    418.400 ; PRM 4 5

CT C O
CT  bT  OR           1   109.500    418.400 ; PRM 4 5

CT C O
CT  bT  OR           1   109.500    418.400 ; PRM 4 5

CT C O
CT  OR  P            1   120.500    836.800 ; from CT-OS-P

CT C O
CT  OR  P            1   120.500    836.800 ; from CT-OS-P

CA CA CA
CA  C   OR           1   120.000    585.760 ; PRM 4 5

CA CA CA
CA  C   OR           1   120.000    585.760 ; PRM 4 5

CA CA C
CA  C   OR           1   120.000    585.760 ; PRM 4 5

CA C CA
CA  C   OR           1   120.000    585.760 ; PRM 4 5

C CA CA
CA  C   OR           1   120.000    585.760 ; PRM 4 5

CA CA CA
CA  C   OR           1   120.000    585.760 ; PRM 4 5

