LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.5 on Mon Jan 26 21:46:43 -0500 2015
 270 atoms
 243 bonds
 324 angles
 216 dihedrals
 27 impropers
 7 atom types
 7 bond types
 8 angle types
 6 dihedral types
 1 improper types
 -9.891009 10.479019  xlo xhi
 -10.921999 11.697998  ylo yhi
 -7.014005 6.996034  zlo zhi

# Pair Coeffs
#
# 1  C
# 2  CT
# 3  CZ
# 4  HC
# 5  HO
# 6  O
# 7  OH

# Bond Coeffs
#
# 1  C-CZ
# 2  C-O
# 3  C-OH
# 4  CT-CZ
# 5  CT-HC
# 6  CZ-CZ
# 7  HO-OH

# Angle Coeffs
#
# 1  C-CZ-CZ
# 2  C-OH-HO
# 3  CT-CZ-CZ
# 4  CZ-C-O
# 5  CZ-C-OH
# 6  CZ-CT-HC
# 7  HC-CT-HC
# 8  O-C-OH

# Dihedral Coeffs
#
# 1  C-CZ-CZ-CT
# 2  CZ-C-OH-HO
# 3  HC-CT-CZ-CZ
# 4  O-C-CZ-CZ
# 5  O-C-OH-HO
# 6  OH-C-CZ-CZ

# Improper Coeffs
#
# 1  CZ-O-C-OH

 Masses

 1 12.011000 # C
 2 12.011000 # CT
 3 12.011000 # CZ
 4 1.008000 # HC
 5 1.008000 # HO
 6 15.999400 # O
 7 15.999400 # OH

 Atoms

1 1 2 -0.180000 -8.051010 -9.261997 -4.003997 # CT TTA
2 1 3 0.000000 -7.171021 -8.181999 -4.473999 # CZ TTA
3 1 3 0.000000 -6.431000 -7.302000 -4.854003 # CZ TTA
4 1 1 0.520000 -5.541016 -6.251999 -5.304000 # C TTA
5 1 6 -0.440000 -4.401001 -6.431999 -5.714004 # O TTA
6 1 7 -0.530000 -6.080994 -5.011999 -5.203994 # OH TTA
7 1 5 0.450000 -5.431000 -4.382000 -5.474014 # HO TTA
8 1 4 0.060000 -8.891006 -8.821999 -3.464004 # HC TTA
9 1 4 0.060000 -8.410995 -9.832001 -4.863998 # HC TTA
10 1 4 0.060000 -7.491013 -9.921999 -3.343994 # HC TTA
11 1 2 -0.180000 -8.051010 -9.261997 0.666016 # CT TTA
12 1 3 0.000000 -7.171021 -8.181999 0.196014 # CZ TTA
13 1 3 0.000000 -6.431000 -7.302000 -0.183990 # CZ TTA
14 1 1 0.520000 -5.541016 -6.251999 -0.633987 # C TTA
15 1 6 -0.440000 -4.401001 -6.431999 -1.043991 # O TTA
16 1 7 -0.530000 -6.080994 -5.011999 -0.533981 # OH TTA
17 1 5 0.450000 -5.431000 -4.382000 -0.804001 # HO TTA
18 1 4 0.060000 -8.891006 -8.821999 1.206009 # HC TTA
19 1 4 0.060000 -8.410995 -9.832001 -0.193985 # HC TTA
20 1 4 0.060000 -7.491013 -9.921999 1.326019 # HC TTA
21 1 2 -0.180000 -8.051010 -9.261997 5.336029 # CT TTA
22 1 3 0.000000 -7.171021 -8.181999 4.866027 # CZ TTA
23 1 3 0.000000 -6.431000 -7.302000 4.486022 # CZ TTA
24 1 1 0.520000 -5.541016 -6.251999 4.036026 # C TTA
25 1 6 -0.440000 -4.401001 -6.431999 3.626022 # O TTA
26 1 7 -0.530000 -6.080994 -5.011999 4.136032 # OH TTA
27 1 5 0.450000 -5.431000 -4.382000 3.866012 # HO TTA
28 1 4 0.060000 -8.891006 -8.821999 5.876022 # HC TTA
29 1 4 0.060000 -8.410995 -9.832001 4.476028 # HC TTA
30 1 4 0.060000 -7.491013 -9.921999 5.996032 # HC TTA
31 1 2 -0.180000 -8.051010 -1.721998 -4.003997 # CT TTA
32 1 3 0.000000 -7.171021 -0.642000 -4.473999 # CZ TTA
33 1 3 0.000000 -6.431000 0.237999 -4.854003 # CZ TTA
34 1 1 0.520000 -5.541016 1.288000 -5.304000 # C TTA
35 1 6 -0.440000 -4.401001 1.108000 -5.714004 # O TTA
36 1 7 -0.530000 -6.080994 2.528000 -5.203994 # OH TTA
37 1 5 0.450000 -5.431000 3.157999 -5.474014 # HO TTA
38 1 4 0.060000 -8.891006 -1.282000 -3.464004 # HC TTA
39 1 4 0.060000 -8.410995 -2.292002 -4.863998 # HC TTA
40 1 4 0.060000 -7.491013 -2.382000 -3.343994 # HC TTA
41 1 2 -0.180000 -8.051010 -1.721998 0.666016 # CT TTA
42 1 3 0.000000 -7.171021 -0.642000 0.196014 # CZ TTA
43 1 3 0.000000 -6.431000 0.237999 -0.183990 # CZ TTA
44 1 1 0.520000 -5.541016 1.288000 -0.633987 # C TTA
45 1 6 -0.440000 -4.401001 1.108000 -1.043991 # O TTA
46 1 7 -0.530000 -6.080994 2.528000 -0.533981 # OH TTA
47 1 5 0.450000 -5.431000 3.157999 -0.804001 # HO TTA
48 1 4 0.060000 -8.891006 -1.282000 1.206009 # HC TTA
49 1 4 0.060000 -8.410995 -2.292002 -0.193985 # HC TTA
50 1 4 0.060000 -7.491013 -2.382000 1.326019 # HC TTA
51 1 2 -0.180000 -8.051010 -1.721998 5.336029 # CT TTA
52 1 3 0.000000 -7.171021 -0.642000 4.866027 # CZ TTA
53 1 3 0.000000 -6.431000 0.237999 4.486022 # CZ TTA
54 1 1 0.520000 -5.541016 1.288000 4.036026 # C TTA
55 1 6 -0.440000 -4.401001 1.108000 3.626022 # O TTA
56 1 7 -0.530000 -6.080994 2.528000 4.136032 # OH TTA
57 1 5 0.450000 -5.431000 3.157999 3.866012 # HO TTA
58 1 4 0.060000 -8.891006 -1.282000 5.876022 # HC TTA
59 1 4 0.060000 -8.410995 -2.292002 4.476028 # HC TTA
60 1 4 0.060000 -7.491013 -2.382000 5.996032 # HC TTA
61 1 2 -0.180000 -8.051010 5.818001 -4.003997 # CT TTA
62 1 3 0.000000 -7.171021 6.897999 -4.473999 # CZ TTA
63 1 3 0.000000 -6.431000 7.777998 -4.854003 # CZ TTA
64 1 1 0.520000 -5.541016 8.827999 -5.304000 # C TTA
65 1 6 -0.440000 -4.401001 8.647999 -5.714004 # O TTA
66 1 7 -0.530000 -6.080994 10.067999 -5.203994 # OH TTA
67 1 5 0.450000 -5.431000 10.697998 -5.474014 # HO TTA
68 1 4 0.060000 -8.891006 6.257999 -3.464004 # HC TTA
69 1 4 0.060000 -8.410995 5.247997 -4.863998 # HC TTA
70 1 4 0.060000 -7.491013 5.157999 -3.343994 # HC TTA
71 1 2 -0.180000 -8.051010 5.818001 0.666016 # CT TTA
72 1 3 0.000000 -7.171021 6.897999 0.196014 # CZ TTA
73 1 3 0.000000 -6.431000 7.777998 -0.183990 # CZ TTA
74 1 1 0.520000 -5.541016 8.827999 -0.633987 # C TTA
75 1 6 -0.440000 -4.401001 8.647999 -1.043991 # O TTA
76 1 7 -0.530000 -6.080994 10.067999 -0.533981 # OH TTA
77 1 5 0.450000 -5.431000 10.697998 -0.804001 # HO TTA
78 1 4 0.060000 -8.891006 6.257999 1.206009 # HC TTA
79 1 4 0.060000 -8.410995 5.247997 -0.193985 # HC TTA
80 1 4 0.060000 -7.491013 5.157999 1.326019 # HC TTA
81 1 2 -0.180000 -8.051010 5.818001 5.336029 # CT TTA
82 1 3 0.000000 -7.171021 6.897999 4.866027 # CZ TTA
83 1 3 0.000000 -6.431000 7.777998 4.486022 # CZ TTA
84 1 1 0.520000 -5.541016 8.827999 4.036026 # C TTA
85 1 6 -0.440000 -4.401001 8.647999 3.626022 # O TTA
86 1 7 -0.530000 -6.080994 10.067999 4.136032 # OH TTA
87 1 5 0.450000 -5.431000 10.697998 3.866012 # HO TTA
88 1 4 0.060000 -8.891006 6.257999 5.876022 # HC TTA
89 1 4 0.060000 -8.410995 5.247997 4.476028 # HC TTA
90 1 4 0.060000 -7.491013 5.157999 5.996032 # HC TTA
91 1 2 -0.180000 -1.261002 -9.261997 -4.003997 # CT TTA
92 1 3 0.000000 -0.381012 -8.181999 -4.473999 # CZ TTA
93 1 3 0.000000 0.359009 -7.302000 -4.854003 # CZ TTA
94 1 1 0.520000 1.248993 -6.251999 -5.304000 # C TTA
95 1 6 -0.440000 2.389008 -6.431999 -5.714004 # O TTA
96 1 7 -0.530000 0.709015 -5.011999 -5.203994 # OH TTA
97 1 5 0.450000 1.359009 -4.382000 -5.474014 # HO TTA
98 1 4 0.060000 -2.100998 -8.821999 -3.464004 # HC TTA
99 1 4 0.060000 -1.620987 -9.832001 -4.863998 # HC TTA
100 1 4 0.060000 -0.701004 -9.921999 -3.343994 # HC TTA
101 1 2 -0.180000 -1.261002 -9.261997 0.666016 # CT TTA
102 1 3 0.000000 -0.381012 -8.181999 0.196014 # CZ TTA
103 1 3 0.000000 0.359009 -7.302000 -0.183990 # CZ TTA
104 1 1 0.520000 1.248993 -6.251999 -0.633987 # C TTA
105 1 6 -0.440000 2.389008 -6.431999 -1.043991 # O TTA
106 1 7 -0.530000 0.709015 -5.011999 -0.533981 # OH TTA
107 1 5 0.450000 1.359009 -4.382000 -0.804001 # HO TTA
108 1 4 0.060000 -2.100998 -8.821999 1.206009 # HC TTA
109 1 4 0.060000 -1.620987 -9.832001 -0.193985 # HC TTA
110 1 4 0.060000 -0.701004 -9.921999 1.326019 # HC TTA
111 1 2 -0.180000 -1.261002 -9.261997 5.336029 # CT TTA
112 1 3 0.000000 -0.381012 -8.181999 4.866027 # CZ TTA
113 1 3 0.000000 0.359009 -7.302000 4.486022 # CZ TTA
114 1 1 0.520000 1.248993 -6.251999 4.036026 # C TTA
115 1 6 -0.440000 2.389008 -6.431999 3.626022 # O TTA
116 1 7 -0.530000 0.709015 -5.011999 4.136032 # OH TTA
117 1 5 0.450000 1.359009 -4.382000 3.866012 # HO TTA
118 1 4 0.060000 -2.100998 -8.821999 5.876022 # HC TTA
119 1 4 0.060000 -1.620987 -9.832001 4.476028 # HC TTA
120 1 4 0.060000 -0.701004 -9.921999 5.996032 # HC TTA
121 1 2 -0.180000 -1.261002 -1.721998 -4.003997 # CT TTA
122 1 3 0.000000 -0.381012 -0.642000 -4.473999 # CZ TTA
123 1 3 0.000000 0.359009 0.237999 -4.854003 # CZ TTA
124 1 1 0.520000 1.248993 1.288000 -5.304000 # C TTA
125 1 6 -0.440000 2.389008 1.108000 -5.714004 # O TTA
126 1 7 -0.530000 0.709015 2.528000 -5.203994 # OH TTA
127 1 5 0.450000 1.359009 3.157999 -5.474014 # HO TTA
128 1 4 0.060000 -2.100998 -1.282000 -3.464004 # HC TTA
129 1 4 0.060000 -1.620987 -2.292002 -4.863998 # HC TTA
130 1 4 0.060000 -0.701004 -2.382000 -3.343994 # HC TTA
131 1 2 -0.180000 -1.261002 -1.721998 0.666016 # CT TTA
132 1 3 0.000000 -0.381012 -0.642000 0.196014 # CZ TTA
133 1 3 0.000000 0.359009 0.237999 -0.183990 # CZ TTA
134 1 1 0.520000 1.248993 1.288000 -0.633987 # C TTA
135 1 6 -0.440000 2.389008 1.108000 -1.043991 # O TTA
136 1 7 -0.530000 0.709015 2.528000 -0.533981 # OH TTA
137 1 5 0.450000 1.359009 3.157999 -0.804001 # HO TTA
138 1 4 0.060000 -2.100998 -1.282000 1.206009 # HC TTA
139 1 4 0.060000 -1.620987 -2.292002 -0.193985 # HC TTA
140 1 4 0.060000 -0.701004 -2.382000 1.326019 # HC TTA
141 1 2 -0.180000 -1.261002 -1.721998 5.336029 # CT TTA
142 1 3 0.000000 -0.381012 -0.642000 4.866027 # CZ TTA
143 1 3 0.000000 0.359009 0.237999 4.486022 # CZ TTA
144 1 1 0.520000 1.248993 1.288000 4.036026 # C TTA
145 1 6 -0.440000 2.389008 1.108000 3.626022 # O TTA
146 1 7 -0.530000 0.709015 2.528000 4.136032 # OH TTA
147 1 5 0.450000 1.359009 3.157999 3.866012 # HO TTA
148 1 4 0.060000 -2.100998 -1.282000 5.876022 # HC TTA
149 1 4 0.060000 -1.620987 -2.292002 4.476028 # HC TTA
150 1 4 0.060000 -0.701004 -2.382000 5.996032 # HC TTA
151 1 2 -0.180000 -1.261002 5.818001 -4.003997 # CT TTA
152 1 3 0.000000 -0.381012 6.897999 -4.473999 # CZ TTA
153 1 3 0.000000 0.359009 7.777998 -4.854003 # CZ TTA
154 1 1 0.520000 1.248993 8.827999 -5.304000 # C TTA
155 1 6 -0.440000 2.389008 8.647999 -5.714004 # O TTA
156 1 7 -0.530000 0.709015 10.067999 -5.203994 # OH TTA
157 1 5 0.450000 1.359009 10.697998 -5.474014 # HO TTA
158 1 4 0.060000 -2.100998 6.257999 -3.464004 # HC TTA
159 1 4 0.060000 -1.620987 5.247997 -4.863998 # HC TTA
160 1 4 0.060000 -0.701004 5.157999 -3.343994 # HC TTA
161 1 2 -0.180000 -1.261002 5.818001 0.666016 # CT TTA
162 1 3 0.000000 -0.381012 6.897999 0.196014 # CZ TTA
163 1 3 0.000000 0.359009 7.777998 -0.183990 # CZ TTA
164 1 1 0.520000 1.248993 8.827999 -0.633987 # C TTA
165 1 6 -0.440000 2.389008 8.647999 -1.043991 # O TTA
166 1 7 -0.530000 0.709015 10.067999 -0.533981 # OH TTA
167 1 5 0.450000 1.359009 10.697998 -0.804001 # HO TTA
168 1 4 0.060000 -2.100998 6.257999 1.206009 # HC TTA
169 1 4 0.060000 -1.620987 5.247997 -0.193985 # HC TTA
170 1 4 0.060000 -0.701004 5.157999 1.326019 # HC TTA
171 1 2 -0.180000 -1.261002 5.818001 5.336029 # CT TTA
172 1 3 0.000000 -0.381012 6.897999 4.866027 # CZ TTA
173 1 3 0.000000 0.359009 7.777998 4.486022 # CZ TTA
174 1 1 0.520000 1.248993 8.827999 4.036026 # C TTA
175 1 6 -0.440000 2.389008 8.647999 3.626022 # O TTA
176 1 7 -0.530000 0.709015 10.067999 4.136032 # OH TTA
177 1 5 0.450000 1.359009 10.697998 3.866012 # HO TTA
178 1 4 0.060000 -2.100998 6.257999 5.876022 # HC TTA
179 1 4 0.060000 -1.620987 5.247997 4.476028 # HC TTA
180 1 4 0.060000 -0.701004 5.157999 5.996032 # HC TTA
181 1 2 -0.180000 5.529007 -9.261997 -4.003997 # CT TTA
182 1 3 0.000000 6.408997 -8.181999 -4.473999 # CZ TTA
183 1 3 0.000000 7.149018 -7.302000 -4.854003 # CZ TTA
184 1 1 0.520000 8.039001 -6.251999 -5.304000 # C TTA
185 1 6 -0.440000 9.179016 -6.431999 -5.714004 # O TTA
186 1 7 -0.530000 7.499024 -5.011999 -5.203994 # OH TTA
187 1 5 0.450000 8.149017 -4.382000 -5.474014 # HO TTA
188 1 4 0.060000 4.689011 -8.821999 -3.464004 # HC TTA
189 1 4 0.060000 5.169022 -9.832001 -4.863998 # HC TTA
190 1 4 0.060000 6.089005 -9.921999 -3.343994 # HC TTA
191 1 2 -0.180000 5.529007 -9.261997 0.666016 # CT TTA
192 1 3 0.000000 6.408997 -8.181999 0.196014 # CZ TTA
193 1 3 0.000000 7.149018 -7.302000 -0.183990 # CZ TTA
194 1 1 0.520000 8.039001 -6.251999 -0.633987 # C TTA
195 1 6 -0.440000 9.179016 -6.431999 -1.043991 # O TTA
196 1 7 -0.530000 7.499024 -5.011999 -0.533981 # OH TTA
197 1 5 0.450000 8.149017 -4.382000 -0.804001 # HO TTA
198 1 4 0.060000 4.689011 -8.821999 1.206009 # HC TTA
199 1 4 0.060000 5.169022 -9.832001 -0.193985 # HC TTA
200 1 4 0.060000 6.089005 -9.921999 1.326019 # HC TTA
201 1 2 -0.180000 5.529007 -9.261997 5.336029 # CT TTA
202 1 3 0.000000 6.408997 -8.181999 4.866027 # CZ TTA
203 1 3 0.000000 7.149018 -7.302000 4.486022 # CZ TTA
204 1 1 0.520000 8.039001 -6.251999 4.036026 # C TTA
205 1 6 -0.440000 9.179016 -6.431999 3.626022 # O TTA
206 1 7 -0.530000 7.499024 -5.011999 4.136032 # OH TTA
207 1 5 0.450000 8.149017 -4.382000 3.866012 # HO TTA
208 1 4 0.060000 4.689011 -8.821999 5.876022 # HC TTA
209 1 4 0.060000 5.169022 -9.832001 4.476028 # HC TTA
210 1 4 0.060000 6.089005 -9.921999 5.996032 # HC TTA
211 1 2 -0.180000 5.529007 -1.721998 -4.003997 # CT TTA
212 1 3 0.000000 6.408997 -0.642000 -4.473999 # CZ TTA
213 1 3 0.000000 7.149018 0.237999 -4.854003 # CZ TTA
214 1 1 0.520000 8.039001 1.288000 -5.304000 # C TTA
215 1 6 -0.440000 9.179016 1.108000 -5.714004 # O TTA
216 1 7 -0.530000 7.499024 2.528000 -5.203994 # OH TTA
217 1 5 0.450000 8.149017 3.157999 -5.474014 # HO TTA
218 1 4 0.060000 4.689011 -1.282000 -3.464004 # HC TTA
219 1 4 0.060000 5.169022 -2.292002 -4.863998 # HC TTA
220 1 4 0.060000 6.089005 -2.382000 -3.343994 # HC TTA
221 1 2 -0.180000 5.529007 -1.721998 0.666016 # CT TTA
222 1 3 0.000000 6.408997 -0.642000 0.196014 # CZ TTA
223 1 3 0.000000 7.149018 0.237999 -0.183990 # CZ TTA
224 1 1 0.520000 8.039001 1.288000 -0.633987 # C TTA
225 1 6 -0.440000 9.179016 1.108000 -1.043991 # O TTA
226 1 7 -0.530000 7.499024 2.528000 -0.533981 # OH TTA
227 1 5 0.450000 8.149017 3.157999 -0.804001 # HO TTA
228 1 4 0.060000 4.689011 -1.282000 1.206009 # HC TTA
229 1 4 0.060000 5.169022 -2.292002 -0.193985 # HC TTA
230 1 4 0.060000 6.089005 -2.382000 1.326019 # HC TTA
231 1 2 -0.180000 5.529007 -1.721998 5.336029 # CT TTA
232 1 3 0.000000 6.408997 -0.642000 4.866027 # CZ TTA
233 1 3 0.000000 7.149018 0.237999 4.486022 # CZ TTA
234 1 1 0.520000 8.039001 1.288000 4.036026 # C TTA
235 1 6 -0.440000 9.179016 1.108000 3.626022 # O TTA
236 1 7 -0.530000 7.499024 2.528000 4.136032 # OH TTA
237 1 5 0.450000 8.149017 3.157999 3.866012 # HO TTA
238 1 4 0.060000 4.689011 -1.282000 5.876022 # HC TTA
239 1 4 0.060000 5.169022 -2.292002 4.476028 # HC TTA
240 1 4 0.060000 6.089005 -2.382000 5.996032 # HC TTA
241 1 2 -0.180000 5.529007 5.818001 -4.003997 # CT TTA
242 1 3 0.000000 6.408997 6.897999 -4.473999 # CZ TTA
243 1 3 0.000000 7.149018 7.777998 -4.854003 # CZ TTA
244 1 1 0.520000 8.039001 8.827999 -5.304000 # C TTA
245 1 6 -0.440000 9.179016 8.647999 -5.714004 # O TTA
246 1 7 -0.530000 7.499024 10.067999 -5.203994 # OH TTA
247 1 5 0.450000 8.149017 10.697998 -5.474014 # HO TTA
248 1 4 0.060000 4.689011 6.257999 -3.464004 # HC TTA
249 1 4 0.060000 5.169022 5.247997 -4.863998 # HC TTA
250 1 4 0.060000 6.089005 5.157999 -3.343994 # HC TTA
251 1 2 -0.180000 5.529007 5.818001 0.666016 # CT TTA
252 1 3 0.000000 6.408997 6.897999 0.196014 # CZ TTA
253 1 3 0.000000 7.149018 7.777998 -0.183990 # CZ TTA
254 1 1 0.520000 8.039001 8.827999 -0.633987 # C TTA
255 1 6 -0.440000 9.179016 8.647999 -1.043991 # O TTA
256 1 7 -0.530000 7.499024 10.067999 -0.533981 # OH TTA
257 1 5 0.450000 8.149017 10.697998 -0.804001 # HO TTA
258 1 4 0.060000 4.689011 6.257999 1.206009 # HC TTA
259 1 4 0.060000 5.169022 5.247997 -0.193985 # HC TTA
260 1 4 0.060000 6.089005 5.157999 1.326019 # HC TTA
261 1 2 -0.180000 5.529007 5.818001 5.336029 # CT TTA
262 1 3 0.000000 6.408997 6.897999 4.866027 # CZ TTA
263 1 3 0.000000 7.149018 7.777998 4.486022 # CZ TTA
264 1 1 0.520000 8.039001 8.827999 4.036026 # C TTA
265 1 6 -0.440000 9.179016 8.647999 3.626022 # O TTA
266 1 7 -0.530000 7.499024 10.067999 4.136032 # OH TTA
267 1 5 0.450000 8.149017 10.697998 3.866012 # HO TTA
268 1 4 0.060000 4.689011 6.257999 5.876022 # HC TTA
269 1 4 0.060000 5.169022 5.247997 4.476028 # HC TTA
270 1 4 0.060000 6.089005 5.157999 5.996032 # HC TTA

 Bonds

1 4 1 2
2 5 1 9
3 5 1 8
4 5 1 10
5 6 2 3
6 1 3 4
7 3 4 6
8 2 4 5
9 7 6 7
10 4 11 12
11 5 11 19
12 5 11 18
13 5 11 20
14 6 12 13
15 1 13 14
16 3 14 16
17 2 14 15
18 7 16 17
19 4 21 22
20 5 21 29
21 5 21 28
22 5 21 30
23 6 22 23
24 1 23 24
25 3 24 26
26 2 24 25
27 7 26 27
28 4 31 32
29 5 31 39
30 5 31 38
31 5 31 40
32 6 32 33
33 1 33 34
34 3 34 36
35 2 34 35
36 7 36 37
37 4 41 42
38 5 41 49
39 5 41 48
40 5 41 50
41 6 42 43
42 1 43 44
43 3 44 46
44 2 44 45
45 7 46 47
46 4 51 52
47 5 51 59
48 5 51 58
49 5 51 60
50 6 52 53
51 1 53 54
52 3 54 56
53 2 54 55
54 7 56 57
55 4 61 62
56 5 61 69
57 5 61 68
58 5 61 70
59 6 62 63
60 1 63 64
61 3 64 66
62 2 64 65
63 7 66 67
64 4 71 72
65 5 71 79
66 5 71 78
67 5 71 80
68 6 72 73
69 1 73 74
70 3 74 76
71 2 74 75
72 7 76 77
73 4 81 82
74 5 81 89
75 5 81 88
76 5 81 90
77 6 82 83
78 1 83 84
79 3 84 86
80 2 84 85
81 7 86 87
82 4 91 92
83 5 91 99
84 5 91 98
85 5 91 100
86 6 92 93
87 1 93 94
88 3 94 96
89 2 94 95
90 7 96 97
91 4 101 102
92 5 101 109
93 5 101 108
94 5 101 110
95 6 102 103
96 1 103 104
97 3 104 106
98 2 104 105
99 7 106 107
100 4 111 112
101 5 111 119
102 5 111 118
103 5 111 120
104 6 112 113
105 1 113 114
106 3 114 116
107 2 114 115
108 7 116 117
109 4 121 122
110 5 121 129
111 5 121 128
112 5 121 130
113 6 122 123
114 1 123 124
115 3 124 126
116 2 124 125
117 7 126 127
118 4 131 132
119 5 131 139
120 5 131 138
121 5 131 140
122 6 132 133
123 1 133 134
124 3 134 136
125 2 134 135
126 7 136 137
127 4 141 142
128 5 141 149
129 5 141 148
130 5 141 150
131 6 142 143
132 1 143 144
133 3 144 146
134 2 144 145
135 7 146 147
136 4 151 152
137 5 151 159
138 5 151 158
139 5 151 160
140 6 152 153
141 1 153 154
142 3 154 156
143 2 154 155
144 7 156 157
145 4 161 162
146 5 161 169
147 5 161 168
148 5 161 170
149 6 162 163
150 1 163 164
151 3 164 166
152 2 164 165
153 7 166 167
154 4 171 172
155 5 171 179
156 5 171 178
157 5 171 180
158 6 172 173
159 1 173 174
160 3 174 176
161 2 174 175
162 7 176 177
163 4 181 182
164 5 181 189
165 5 181 188
166 5 181 190
167 6 182 183
168 1 183 184
169 3 184 186
170 2 184 185
171 7 186 187
172 4 191 192
173 5 191 199
174 5 191 198
175 5 191 200
176 6 192 193
177 1 193 194
178 3 194 196
179 2 194 195
180 7 196 197
181 4 201 202
182 5 201 209
183 5 201 208
184 5 201 210
185 6 202 203
186 1 203 204
187 3 204 206
188 2 204 205
189 7 206 207
190 4 211 212
191 5 211 219
192 5 211 218
193 5 211 220
194 6 212 213
195 1 213 214
196 3 214 216
197 2 214 215
198 7 216 217
199 4 221 222
200 5 221 229
201 5 221 228
202 5 221 230
203 6 222 223
204 1 223 224
205 3 224 226
206 2 224 225
207 7 226 227
208 4 231 232
209 5 231 239
210 5 231 238
211 5 231 240
212 6 232 233
213 1 233 234
214 3 234 236
215 2 234 235
216 7 236 237
217 4 241 242
218 5 241 249
219 5 241 248
220 5 241 250
221 6 242 243
222 1 243 244
223 3 244 246
224 2 244 245
225 7 246 247
226 4 251 252
227 5 251 259
228 5 251 258
229 5 251 260
230 6 252 253
231 1 253 254
232 3 254 256
233 2 254 255
234 7 256 257
235 4 261 262
236 5 261 269
237 5 261 268
238 5 261 270
239 6 262 263
240 1 263 264
241 3 264 266
242 2 264 265
243 7 266 267

 Angles

1 6 2 1 9
2 6 2 1 8
3 6 2 1 10
4 7 8 1 9
5 7 9 1 10
6 7 8 1 10
7 3 1 2 3
8 1 2 3 4
9 5 3 4 6
10 4 3 4 5
11 8 5 4 6
12 2 4 6 7
13 6 12 11 19
14 6 12 11 18
15 6 12 11 20
16 7 18 11 19
17 7 19 11 20
18 7 18 11 20
19 3 11 12 13
20 1 12 13 14
21 5 13 14 16
22 4 13 14 15
23 8 15 14 16
24 2 14 16 17
25 6 22 21 29
26 6 22 21 28
27 6 22 21 30
28 7 28 21 29
29 7 29 21 30
30 7 28 21 30
31 3 21 22 23
32 1 22 23 24
33 5 23 24 26
34 4 23 24 25
35 8 25 24 26
36 2 24 26 27
37 6 32 31 39
38 6 32 31 38
39 6 32 31 40
40 7 38 31 39
41 7 39 31 40
42 7 38 31 40
43 3 31 32 33
44 1 32 33 34
45 5 33 34 36
46 4 33 34 35
47 8 35 34 36
48 2 34 36 37
49 6 42 41 49
50 6 42 41 48
51 6 42 41 50
52 7 48 41 49
53 7 49 41 50
54 7 48 41 50
55 3 41 42 43
56 1 42 43 44
57 5 43 44 46
58 4 43 44 45
59 8 45 44 46
60 2 44 46 47
61 6 52 51 59
62 6 52 51 58
63 6 52 51 60
64 7 58 51 59
65 7 59 51 60
66 7 58 51 60
67 3 51 52 53
68 1 52 53 54
69 5 53 54 56
70 4 53 54 55
71 8 55 54 56
72 2 54 56 57
73 6 62 61 69
74 6 62 61 68
75 6 62 61 70
76 7 68 61 69
77 7 69 61 70
78 7 68 61 70
79 3 61 62 63
80 1 62 63 64
81 5 63 64 66
82 4 63 64 65
83 8 65 64 66
84 2 64 66 67
85 6 72 71 79
86 6 72 71 78
87 6 72 71 80
88 7 78 71 79
89 7 79 71 80
90 7 78 71 80
91 3 71 72 73
92 1 72 73 74
93 5 73 74 76
94 4 73 74 75
95 8 75 74 76
96 2 74 76 77
97 6 82 81 89
98 6 82 81 88
99 6 82 81 90
100 7 88 81 89
101 7 89 81 90
102 7 88 81 90
103 3 81 82 83
104 1 82 83 84
105 5 83 84 86
106 4 83 84 85
107 8 85 84 86
108 2 84 86 87
109 6 92 91 99
110 6 92 91 98
111 6 92 91 100
112 7 98 91 99
113 7 99 91 100
114 7 98 91 100
115 3 91 92 93
116 1 92 93 94
117 5 93 94 96
118 4 93 94 95
119 8 95 94 96
120 2 94 96 97
121 6 102 101 109
122 6 102 101 108
123 6 102 101 110
124 7 108 101 109
125 7 109 101 110
126 7 108 101 110
127 3 101 102 103
128 1 102 103 104
129 5 103 104 106
130 4 103 104 105
131 8 105 104 106
132 2 104 106 107
133 6 112 111 119
134 6 112 111 118
135 6 112 111 120
136 7 118 111 119
137 7 119 111 120
138 7 118 111 120
139 3 111 112 113
140 1 112 113 114
141 5 113 114 116
142 4 113 114 115
143 8 115 114 116
144 2 114 116 117
145 6 122 121 129
146 6 122 121 128
147 6 122 121 130
148 7 128 121 129
149 7 129 121 130
150 7 128 121 130
151 3 121 122 123
152 1 122 123 124
153 5 123 124 126
154 4 123 124 125
155 8 125 124 126
156 2 124 126 127
157 6 132 131 139
158 6 132 131 138
159 6 132 131 140
160 7 138 131 139
161 7 139 131 140
162 7 138 131 140
163 3 131 132 133
164 1 132 133 134
165 5 133 134 136
166 4 133 134 135
167 8 135 134 136
168 2 134 136 137
169 6 142 141 149
170 6 142 141 148
171 6 142 141 150
172 7 148 141 149
173 7 149 141 150
174 7 148 141 150
175 3 141 142 143
176 1 142 143 144
177 5 143 144 146
178 4 143 144 145
179 8 145 144 146
180 2 144 146 147
181 6 152 151 159
182 6 152 151 158
183 6 152 151 160
184 7 158 151 159
185 7 159 151 160
186 7 158 151 160
187 3 151 152 153
188 1 152 153 154
189 5 153 154 156
190 4 153 154 155
191 8 155 154 156
192 2 154 156 157
193 6 162 161 169
194 6 162 161 168
195 6 162 161 170
196 7 168 161 169
197 7 169 161 170
198 7 168 161 170
199 3 161 162 163
200 1 162 163 164
201 5 163 164 166
202 4 163 164 165
203 8 165 164 166
204 2 164 166 167
205 6 172 171 179
206 6 172 171 178
207 6 172 171 180
208 7 178 171 179
209 7 179 171 180
210 7 178 171 180
211 3 171 172 173
212 1 172 173 174
213 5 173 174 176
214 4 173 174 175
215 8 175 174 176
216 2 174 176 177
217 6 182 181 189
218 6 182 181 188
219 6 182 181 190
220 7 188 181 189
221 7 189 181 190
222 7 188 181 190
223 3 181 182 183
224 1 182 183 184
225 5 183 184 186
226 4 183 184 185
227 8 185 184 186
228 2 184 186 187
229 6 192 191 199
230 6 192 191 198
231 6 192 191 200
232 7 198 191 199
233 7 199 191 200
234 7 198 191 200
235 3 191 192 193
236 1 192 193 194
237 5 193 194 196
238 4 193 194 195
239 8 195 194 196
240 2 194 196 197
241 6 202 201 209
242 6 202 201 208
243 6 202 201 210
244 7 208 201 209
245 7 209 201 210
246 7 208 201 210
247 3 201 202 203
248 1 202 203 204
249 5 203 204 206
250 4 203 204 205
251 8 205 204 206
252 2 204 206 207
253 6 212 211 219
254 6 212 211 218
255 6 212 211 220
256 7 218 211 219
257 7 219 211 220
258 7 218 211 220
259 3 211 212 213
260 1 212 213 214
261 5 213 214 216
262 4 213 214 215
263 8 215 214 216
264 2 214 216 217
265 6 222 221 229
266 6 222 221 228
267 6 222 221 230
268 7 228 221 229
269 7 229 221 230
270 7 228 221 230
271 3 221 222 223
272 1 222 223 224
273 5 223 224 226
274 4 223 224 225
275 8 225 224 226
276 2 224 226 227
277 6 232 231 239
278 6 232 231 238
279 6 232 231 240
280 7 238 231 239
281 7 239 231 240
282 7 238 231 240
283 3 231 232 233
284 1 232 233 234
285 5 233 234 236
286 4 233 234 235
287 8 235 234 236
288 2 234 236 237
289 6 242 241 249
290 6 242 241 248
291 6 242 241 250
292 7 248 241 249
293 7 249 241 250
294 7 248 241 250
295 3 241 242 243
296 1 242 243 244
297 5 243 244 246
298 4 243 244 245
299 8 245 244 246
300 2 244 246 247
301 6 252 251 259
302 6 252 251 258
303 6 252 251 260
304 7 258 251 259
305 7 259 251 260
306 7 258 251 260
307 3 251 252 253
308 1 252 253 254
309 5 253 254 256
310 4 253 254 255
311 8 255 254 256
312 2 254 256 257
313 6 262 261 269
314 6 262 261 268
315 6 262 261 270
316 7 268 261 269
317 7 269 261 270
318 7 268 261 270
319 3 261 262 263
320 1 262 263 264
321 5 263 264 266
322 4 263 264 265
323 8 265 264 266
324 2 264 266 267

 Dihedrals

1 3 9 1 2 3
2 3 8 1 2 3
3 3 10 1 2 3
4 1 1 2 3 4
5 6 2 3 4 6
6 4 2 3 4 5
7 2 3 4 6 7
8 5 5 4 6 7
9 3 19 11 12 13
10 3 18 11 12 13
11 3 20 11 12 13
12 1 11 12 13 14
13 6 12 13 14 16
14 4 12 13 14 15
15 2 13 14 16 17
16 5 15 14 16 17
17 3 29 21 22 23
18 3 28 21 22 23
19 3 30 21 22 23
20 1 21 22 23 24
21 6 22 23 24 26
22 4 22 23 24 25
23 2 23 24 26 27
24 5 25 24 26 27
25 3 39 31 32 33
26 3 38 31 32 33
27 3 40 31 32 33
28 1 31 32 33 34
29 6 32 33 34 36
30 4 32 33 34 35
31 2 33 34 36 37
32 5 35 34 36 37
33 3 49 41 42 43
34 3 48 41 42 43
35 3 50 41 42 43
36 1 41 42 43 44
37 6 42 43 44 46
38 4 42 43 44 45
39 2 43 44 46 47
40 5 45 44 46 47
41 3 59 51 52 53
42 3 58 51 52 53
43 3 60 51 52 53
44 1 51 52 53 54
45 6 52 53 54 56
46 4 52 53 54 55
47 2 53 54 56 57
48 5 55 54 56 57
49 3 69 61 62 63
50 3 68 61 62 63
51 3 70 61 62 63
52 1 61 62 63 64
53 6 62 63 64 66
54 4 62 63 64 65
55 2 63 64 66 67
56 5 65 64 66 67
57 3 79 71 72 73
58 3 78 71 72 73
59 3 80 71 72 73
60 1 71 72 73 74
61 6 72 73 74 76
62 4 72 73 74 75
63 2 73 74 76 77
64 5 75 74 76 77
65 3 89 81 82 83
66 3 88 81 82 83
67 3 90 81 82 83
68 1 81 82 83 84
69 6 82 83 84 86
70 4 82 83 84 85
71 2 83 84 86 87
72 5 85 84 86 87
73 3 99 91 92 93
74 3 98 91 92 93
75 3 100 91 92 93
76 1 91 92 93 94
77 6 92 93 94 96
78 4 92 93 94 95
79 2 93 94 96 97
80 5 95 94 96 97
81 3 109 101 102 103
82 3 108 101 102 103
83 3 110 101 102 103
84 1 101 102 103 104
85 6 102 103 104 106
86 4 102 103 104 105
87 2 103 104 106 107
88 5 105 104 106 107
89 3 119 111 112 113
90 3 118 111 112 113
91 3 120 111 112 113
92 1 111 112 113 114
93 6 112 113 114 116
94 4 112 113 114 115
95 2 113 114 116 117
96 5 115 114 116 117
97 3 129 121 122 123
98 3 128 121 122 123
99 3 130 121 122 123
100 1 121 122 123 124
101 6 122 123 124 126
102 4 122 123 124 125
103 2 123 124 126 127
104 5 125 124 126 127
105 3 139 131 132 133
106 3 138 131 132 133
107 3 140 131 132 133
108 1 131 132 133 134
109 6 132 133 134 136
110 4 132 133 134 135
111 2 133 134 136 137
112 5 135 134 136 137
113 3 149 141 142 143
114 3 148 141 142 143
115 3 150 141 142 143
116 1 141 142 143 144
117 6 142 143 144 146
118 4 142 143 144 145
119 2 143 144 146 147
120 5 145 144 146 147
121 3 159 151 152 153
122 3 158 151 152 153
123 3 160 151 152 153
124 1 151 152 153 154
125 6 152 153 154 156
126 4 152 153 154 155
127 2 153 154 156 157
128 5 155 154 156 157
129 3 169 161 162 163
130 3 168 161 162 163
131 3 170 161 162 163
132 1 161 162 163 164
133 6 162 163 164 166
134 4 162 163 164 165
135 2 163 164 166 167
136 5 165 164 166 167
137 3 179 171 172 173
138 3 178 171 172 173
139 3 180 171 172 173
140 1 171 172 173 174
141 6 172 173 174 176
142 4 172 173 174 175
143 2 173 174 176 177
144 5 175 174 176 177
145 3 189 181 182 183
146 3 188 181 182 183
147 3 190 181 182 183
148 1 181 182 183 184
149 6 182 183 184 186
150 4 182 183 184 185
151 2 183 184 186 187
152 5 185 184 186 187
153 3 199 191 192 193
154 3 198 191 192 193
155 3 200 191 192 193
156 1 191 192 193 194
157 6 192 193 194 196
158 4 192 193 194 195
159 2 193 194 196 197
160 5 195 194 196 197
161 3 209 201 202 203
162 3 208 201 202 203
163 3 210 201 202 203
164 1 201 202 203 204
165 6 202 203 204 206
166 4 202 203 204 205
167 2 203 204 206 207
168 5 205 204 206 207
169 3 219 211 212 213
170 3 218 211 212 213
171 3 220 211 212 213
172 1 211 212 213 214
173 6 212 213 214 216
174 4 212 213 214 215
175 2 213 214 216 217
176 5 215 214 216 217
177 3 229 221 222 223
178 3 228 221 222 223
179 3 230 221 222 223
180 1 221 222 223 224
181 6 222 223 224 226
182 4 222 223 224 225
183 2 223 224 226 227
184 5 225 224 226 227
185 3 239 231 232 233
186 3 238 231 232 233
187 3 240 231 232 233
188 1 231 232 233 234
189 6 232 233 234 236
190 4 232 233 234 235
191 2 233 234 236 237
192 5 235 234 236 237
193 3 249 241 242 243
194 3 248 241 242 243
195 3 250 241 242 243
196 1 241 242 243 244
197 6 242 243 244 246
198 4 242 243 244 245
199 2 243 244 246 247
200 5 245 244 246 247
201 3 259 251 252 253
202 3 258 251 252 253
203 3 260 251 252 253
204 1 251 252 253 254
205 6 252 253 254 256
206 4 252 253 254 255
207 2 253 254 256 257
208 5 255 254 256 257
209 3 269 261 262 263
210 3 268 261 262 263
211 3 270 261 262 263
212 1 261 262 263 264
213 6 262 263 264 266
214 4 262 263 264 265
215 2 263 264 266 267
216 5 265 264 266 267

 Impropers

1 1 6 4 5 3
2 1 16 14 15 13
3 1 26 24 25 23
4 1 36 34 35 33
5 1 46 44 45 43
6 1 56 54 55 53
7 1 66 64 65 63
8 1 76 74 75 73
9 1 86 84 85 83
10 1 96 94 95 93
11 1 106 104 105 103
12 1 116 114 115 113
13 1 126 124 125 123
14 1 136 134 135 133
15 1 146 144 145 143
16 1 156 154 155 153
17 1 166 164 165 163
18 1 176 174 175 173
19 1 186 184 185 183
20 1 196 194 195 193
21 1 206 204 205 203
22 1 216 214 215 213
23 1 226 224 225 223
24 1 236 234 235 233
25 1 246 244 245 243
26 1 256 254 255 253
27 1 266 264 265 263