mirror of
https://github.com/Doodle3D/Doodle3D-Slicer.git
synced 2024-12-25 12:23:49 +01:00
151 lines
6.4 KiB
Plaintext
Executable File
151 lines
6.4 KiB
Plaintext
Executable File
HEADER MOLECULE
|
|
COMPND "123" YBa2Cu3O7 SUPERCONDUCTOR
|
|
AUTHOR A. W. MAVERICK
|
|
ATOM 1 Y UNK 1 0.000 -4.290 0.000 1.00 0.00
|
|
ATOM 2 BA UNK 1 0.000 -0.602 0.000 1.00 0.00
|
|
ATOM 3 BA UNK 1 0.000 3.703 0.000 1.00 0.00
|
|
ATOM 4 CU UNK 1 -1.912 -5.976 1.943 1.00 0.00
|
|
ATOM 5 CU UNK 1 -1.912 -5.976 -1.943 1.00 0.00
|
|
ATOM 6 CU UNK 1 1.911 -5.976 1.943 1.00 0.00
|
|
ATOM 7 CU UNK 1 1.911 -5.976 -1.943 1.00 0.00
|
|
ATOM 8 CU UNK 1 -1.912 -2.603 1.943 1.00 0.00
|
|
ATOM 9 CU UNK 1 -1.912 -2.603 -1.943 1.00 0.00
|
|
ATOM 10 CU UNK 1 1.911 -2.603 1.943 1.00 0.00
|
|
ATOM 11 CU UNK 1 1.911 -2.603 -1.943 1.00 0.00
|
|
ATOM 12 CU UNK 1 -1.912 1.551 1.943 1.00 0.00
|
|
ATOM 13 CU UNK 1 -1.912 1.551 -1.943 1.00 0.00
|
|
ATOM 14 CU UNK 1 1.911 1.551 1.943 1.00 0.00
|
|
ATOM 15 CU UNK 1 1.911 1.551 -1.943 1.00 0.00
|
|
ATOM 16 CU UNK 1 -1.912 5.704 1.943 1.00 0.00
|
|
ATOM 17 CU UNK 1 -1.912 5.704 -1.943 1.00 0.00
|
|
ATOM 18 CU UNK 1 1.911 5.704 1.943 1.00 0.00
|
|
ATOM 19 CU UNK 1 1.911 5.704 -1.943 1.00 0.00
|
|
ATOM 20 O UNK 1 -3.823 -5.723 1.943 1.00 0.00
|
|
ATOM 21 O UNK 1 -3.823 -5.723 -1.943 1.00 0.00
|
|
ATOM 22 O UNK 1 0.000 -5.723 1.943 1.00 0.00
|
|
ATOM 23 O UNK 1 0.000 -5.723 -1.943 1.00 0.00
|
|
ATOM 24 O UNK 1 3.823 -5.723 1.943 1.00 0.00
|
|
ATOM 25 O UNK 1 3.823 -5.723 -1.943 1.00 0.00
|
|
ATOM 26 O UNK 1 -1.912 -5.704 3.886 1.00 0.00
|
|
ATOM 27 O UNK 1 -1.912 -5.704 0.000 1.00 0.00
|
|
ATOM 28 O UNK 1 -1.912 -5.704 -3.886 1.00 0.00
|
|
ATOM 29 O UNK 1 1.911 -5.704 3.886 1.00 0.00
|
|
ATOM 30 O UNK 1 1.911 -5.704 0.000 1.00 0.00
|
|
ATOM 31 O UNK 1 1.911 -5.704 -3.886 1.00 0.00
|
|
ATOM 32 O UNK 1 -1.912 -2.875 3.886 1.00 0.00
|
|
ATOM 33 O UNK 1 -1.912 -2.875 0.000 1.00 0.00
|
|
ATOM 34 O UNK 1 -1.912 -2.875 -3.886 1.00 0.00
|
|
ATOM 35 O UNK 1 1.911 -2.875 3.886 1.00 0.00
|
|
ATOM 36 O UNK 1 1.911 -2.875 0.000 1.00 0.00
|
|
ATOM 37 O UNK 1 1.911 -2.875 -3.886 1.00 0.00
|
|
ATOM 38 O UNK 1 -3.823 -2.857 1.943 1.00 0.00
|
|
ATOM 39 O UNK 1 -3.823 -2.857 -1.943 1.00 0.00
|
|
ATOM 40 O UNK 1 0.000 -2.857 1.943 1.00 0.00
|
|
ATOM 41 O UNK 1 0.000 -2.857 -1.943 1.00 0.00
|
|
ATOM 42 O UNK 1 3.823 -2.857 1.943 1.00 0.00
|
|
ATOM 43 O UNK 1 3.823 -2.857 -1.943 1.00 0.00
|
|
ATOM 44 O UNK 1 -1.912 -0.300 1.943 1.00 0.00
|
|
ATOM 45 O UNK 1 -1.912 -0.300 -1.943 1.00 0.00
|
|
ATOM 46 O UNK 1 1.911 -0.300 1.943 1.00 0.00
|
|
ATOM 47 O UNK 1 1.911 -0.300 -1.943 1.00 0.00
|
|
ATOM 48 O UNK 1 -1.912 1.551 3.886 1.00 0.00
|
|
ATOM 49 O UNK 1 -1.912 1.551 0.000 1.00 0.00
|
|
ATOM 50 O UNK 1 -1.912 1.551 -3.886 1.00 0.00
|
|
ATOM 51 O UNK 1 1.911 1.551 3.886 1.00 0.00
|
|
ATOM 52 O UNK 1 1.911 1.551 0.000 1.00 0.00
|
|
ATOM 53 O UNK 1 1.911 1.551 -3.886 1.00 0.00
|
|
ATOM 54 O UNK 1 -1.912 3.401 1.943 1.00 0.00
|
|
ATOM 55 O UNK 1 -1.912 3.401 -1.943 1.00 0.00
|
|
ATOM 56 O UNK 1 1.911 3.401 1.943 1.00 0.00
|
|
ATOM 57 O UNK 1 1.911 3.401 -1.943 1.00 0.00
|
|
ATOM 58 O UNK 1 -3.823 5.958 1.943 1.00 0.00
|
|
ATOM 59 O UNK 1 -3.823 5.958 -1.943 1.00 0.00
|
|
ATOM 60 O UNK 1 0.000 5.958 1.943 1.00 0.00
|
|
ATOM 61 O UNK 1 0.000 5.958 -1.943 1.00 0.00
|
|
ATOM 62 O UNK 1 3.823 5.958 1.943 1.00 0.00
|
|
ATOM 63 O UNK 1 3.823 5.958 -1.943 1.00 0.00
|
|
ATOM 64 O UNK 1 -1.912 5.976 3.886 1.00 0.00
|
|
ATOM 65 O UNK 1 -1.912 5.976 0.000 1.00 0.00
|
|
ATOM 66 O UNK 1 -1.912 5.976 -3.886 1.00 0.00
|
|
ATOM 67 O UNK 1 1.911 5.976 3.886 1.00 0.00
|
|
ATOM 68 O UNK 1 1.911 5.976 0.000 1.00 0.00
|
|
ATOM 69 O UNK 1 1.911 5.976 -3.886 1.00 0.00
|
|
CONECT 1 22 23 27 30
|
|
CONECT 1 33 36 40 41
|
|
CONECT 4 20 22 26 27
|
|
CONECT 5 21 23 27 28
|
|
CONECT 6 22 24 29 30
|
|
CONECT 7 23 25 30 31
|
|
CONECT 8 32 33 38 40
|
|
CONECT 8 44
|
|
CONECT 9 33 34 39 41
|
|
CONECT 9 45
|
|
CONECT 10 35 36 40 42
|
|
CONECT 10 46
|
|
CONECT 11 36 37 41 43
|
|
CONECT 11 47
|
|
CONECT 12 44 48 49 54
|
|
CONECT 13 45 49 50 55
|
|
CONECT 14 46 51 52 56
|
|
CONECT 15 47 52 53 57
|
|
CONECT 16 54 58 60 64
|
|
CONECT 16 65
|
|
CONECT 17 55 59 61 65
|
|
CONECT 17 66
|
|
CONECT 18 56 60 62 67
|
|
CONECT 18 68
|
|
CONECT 19 57 61 63 68
|
|
CONECT 19 69
|
|
CONECT 20 4
|
|
CONECT 21 5
|
|
CONECT 22 1 4 6
|
|
CONECT 23 1 5 7
|
|
CONECT 24 6
|
|
CONECT 25 7
|
|
CONECT 26 4
|
|
CONECT 27 1 4 5
|
|
CONECT 28 5
|
|
CONECT 29 6
|
|
CONECT 30 1 6 7
|
|
CONECT 31 7
|
|
CONECT 32 8
|
|
CONECT 33 1 8 9
|
|
CONECT 34 9
|
|
CONECT 35 10
|
|
CONECT 36 1 10 11
|
|
CONECT 37 11
|
|
CONECT 38 8
|
|
CONECT 39 9
|
|
CONECT 40 1 8 10
|
|
CONECT 41 1 9 11
|
|
CONECT 42 10
|
|
CONECT 43 11
|
|
CONECT 44 8 12
|
|
CONECT 45 9 13
|
|
CONECT 46 10 14
|
|
CONECT 47 11 15
|
|
CONECT 48 12
|
|
CONECT 49 12 13
|
|
CONECT 50 13
|
|
CONECT 51 14
|
|
CONECT 52 14 15
|
|
CONECT 53 15
|
|
CONECT 54 12 16
|
|
CONECT 55 13 17
|
|
CONECT 56 14 18
|
|
CONECT 57 15 19
|
|
CONECT 58 16
|
|
CONECT 59 17
|
|
CONECT 60 16 18
|
|
CONECT 61 17 19
|
|
CONECT 62 18
|
|
CONECT 63 19
|
|
CONECT 64 16
|
|
CONECT 65 16 17
|
|
CONECT 66 17
|
|
CONECT 67 18
|
|
CONECT 68 18 19
|
|
CONECT 69 19
|
|
MASTER 0 0 0 0 0 0 0 0 69 0 69 0
|
|
END
|