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