-
Notifications
You must be signed in to change notification settings - Fork 11
/
Copy pathCOF-18A.car
67 lines (67 loc) · 4.95 KB
/
COF-18A.car
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
!BIOSYM archive 3
PBC=ON
Materials Studio Generated CAR File
!DATE
PBC 20.8320 20.8320 3.4560 90.0000 90.0000 120.0000 (P1)
C1 11.871781349 0.000000000 1.728000045 MOL 2 C C -0.176
C2 -5.935890675 10.281264305 1.728000045 MOL 2 C C -0.176
C3 4.480109215 7.759776592 1.728000045 MOL 2 C C -0.176
C4 8.960218430 0.000000000 1.728000045 MOL 2 C C -0.176
C5 -4.480109215 7.759776592 1.728000045 MOL 2 C C -0.176
C6 5.935890675 10.281264305 1.728000045 MOL 2 C C -0.176
C7 11.121225357 1.169167757 1.728000045 MOL 2 C C 0.254
O8 11.625370979 2.396770477 1.728000045 MOL 2 O O -0.619
C9 14.258858681 9.046680450 1.728000045 MOL 2 C C 0.254
O10 12.943651199 8.869481087 1.728000045 MOL 2 O O -0.619
C11 5.867916107 7.825193882 1.728000045 MOL 2 C C 0.254
O12 6.678978920 6.774790287 1.728000045 MOL 2 O O -0.619
C13 -0.705225587 16.871873856 1.728000045 MOL 2 C C 0.254
O14 -1.209370375 15.644270897 1.728000045 MOL 2 O O -0.619
C15 -3.842858315 8.994360924 1.728000045 MOL 2 C C 0.254
O16 -2.527650833 9.171560287 1.728000045 MOL 2 O O -0.619
C17 4.548084259 10.215847969 1.728000045 MOL 2 C C 0.254
O18 3.737021208 11.266251564 1.728000045 MOL 2 O O -0.619
C19 -4.548083782 10.215847969 1.728000045 MOL 2 C C 0.254
O20 -3.737021208 11.266251564 1.728000045 MOL 2 O O -0.619
C21 0.705225587 16.871873856 1.728000045 MOL 2 C C 0.254
O22 1.209370375 15.644270897 1.728000045 MOL 2 O O -0.619
C23 3.842858553 8.994360924 1.728000045 MOL 2 C C 0.254
O24 2.527650833 9.171560287 1.728000045 MOL 2 O O -0.619
C25 14.964084625 7.825193882 1.728000045 MOL 2 C C 0.254
O26 14.153021812 6.774790287 1.728000045 MOL 2 O O -0.619
C27 9.710774422 1.169167757 1.728000045 MOL 2 C C 0.254
O28 9.206629753 2.396770477 1.728000045 MOL 2 O O -0.619
C29 6.573141575 9.046680450 1.728000045 MOL 2 C C 0.254
O30 7.888349533 8.869481087 1.728000045 MOL 2 O O -0.619
C31 0.000000000 10.617657661 1.728000045 MOL 2 C C -0.173
H32 0.000000000 9.585818291 1.728000045 MOL 2 H H 0.226
C33 1.220838666 12.732212067 1.728000045 MOL 2 C C -0.172
H34 2.114437580 13.248131752 1.728000045 MOL 2 H H 0.225
C35 -1.220838666 12.732212067 1.728000045 MOL 2 C C -0.172
H36 -2.114437580 13.248131752 1.728000045 MOL 2 H H 0.225
C37 10.416000366 7.423383236 1.728000045 MOL 2 C C -0.173
H38 10.416000366 8.455223083 1.728000045 MOL 2 H H 0.226
C39 9.195161819 5.308828831 1.728000045 MOL 2 C C -0.172
H40 8.301562309 4.792909145 1.728000045 MOL 2 H H 0.225
C41 11.636838913 5.308828831 1.728000045 MOL 2 C C -0.172
H42 12.530437469 4.792909145 1.728000045 MOL 2 H H 0.225
C43 10.416000366 4.628537655 1.728000045 MOL 2 C C -0.007
B44 10.416000366 3.164182186 1.728000045 MOL 2 B B 0.657
C45 11.615570068 6.706252575 1.728000045 MOL 2 C C -0.006
B46 12.883738518 7.438429832 1.728000045 MOL 2 B B 0.657
C47 9.216431618 6.706252575 1.728000045 MOL 2 C C -0.006
B48 7.948262215 7.438429832 1.728000045 MOL 2 B B 0.657
C49 0.000000000 13.412505150 1.728000045 MOL 2 C C -0.007
B50 0.000000000 14.876859665 1.728000045 MOL 2 B B 0.657
C51 -1.199569225 11.334790230 1.728000045 MOL 2 C C -0.006
B52 -2.467737913 10.602611542 1.728000045 MOL 2 B B 0.657
C53 1.199569225 11.334790230 1.728000045 MOL 2 C C -0.006
B54 2.467738390 10.602611542 1.728000045 MOL 2 B B 0.657
H55 3.970850229 6.877714157 1.728000045 MOL 2 H H 0.201
H56 12.890300751 0.000000000 1.728000045 MOL 2 H H 0.201
H57 -6.445150375 11.163327217 1.728000045 MOL 2 H H 0.201
H58 6.445150375 11.163327217 1.728000045 MOL 2 H H 0.201
H59 7.941700459 0.000000000 1.728000045 MOL 2 H H 0.201
H60 -3.970850229 6.877714157 1.728000045 MOL 2 H H 0.201
end
end