forked from enviPath/enviPy
40 lines
1.7 KiB
Plaintext
40 lines
1.7 KiB
Plaintext
Git #501, #532 Warnings in 2 and 8 group | 57f6de4
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Ketcher 6221712482D 1 1.00000 0.00000 0
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18 15 0 0 0 999 V2000
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4.7750 -3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.5840 -4.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2750 -5.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2750 -5.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9660 -4.5371 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
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9.5615 -4.1706 0.0000 Ar 0 0 0 0 0 0 0 0 0 0 0 0
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10.3450 -3.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.3174 -3.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.7512 -4.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.5615 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.3181 -5.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.3450 -5.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0150 -4.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2589 -5.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.8096 -3.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.3250 -3.7250 0.0000 Kr 0 0 0 0 0 0 0 0 0 0 0 0
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7.3000 -5.1000 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0
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7.3750 -6.4750 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0
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2 3 2 0 0 0
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3 4 1 0 0 0
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4 5 2 0 0 0
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5 1 1 0 0 0
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11 12 1 0 0 0
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10 12 1 0 0 0
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6 10 1 0 0 0
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9 11 1 0 0 0
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8 9 1 0 0 0
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7 8 1 0 0 0
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6 7 1 0 0 0
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5 13 1 0 0 0
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5 14 1 0 0 0
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5 15 1 0 0 0
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M CHG 3 16 1 17 -1 18 1
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M END
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