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150 lines
6.4 KiB

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