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] | pbe | true | 40 | agm005266100-pbe-46 | 46 | 2 |
[
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1,
1,
1
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[
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1
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[
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[
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[
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[
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1,
1
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[
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[
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[
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[
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] | pbe | true | 147 | agm005266106-pbe-10 | 10 | 0 |
[
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-11 | 11 | 0 |
[
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1,
1
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] | pbe | true | 147 | agm005266106-pbe-12 | 12 | 0 |
[
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1,
1
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] | pbe | true | 147 | agm005266106-pbe-13 | 13 | 0 |
[
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1,
1
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] | pbe | true | 147 | agm005266106-pbe-14 | 14 | 0 |
[
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1
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"Te",
"Te",
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] | pbe | true | 147 | agm005266106-pbe-15 | 15 | 1 |
[
"K",
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-2 | 2 | 0 |
[
"K",
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-3 | 3 | 0 |
[
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-4 | 4 | 0 |
[
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-5 | 5 | 0 |
[
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-6 | 6 | 0 |
[
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1,
1,
1
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[
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1,
1
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[
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1,
1,
1
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] | pbe | true | 147 | agm005266106-pbe-9 | 9 | 0 |
[
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1,
1
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] | pbe | true | 1 | agm005266109-pbe-0 | 0 | 0 |
[
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1
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1,
1
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[
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] | pbe | true | 1 | agm005266109-pbe-24 | 24 | 0 |
[
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[
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[
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[
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1,
1
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] | pbe | true | 1 | agm005266109-pbe-9 | 9 | 0 |
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