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- 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
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