mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 11:23:38 +01:00
298 lines
9.6 KiB
Plaintext
298 lines
9.6 KiB
Plaintext
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HYDROGEN
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S 5
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1 1776.7755600 0.0000440
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2 254.0177120 0.0003720
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3 54.6980390 0.0020940
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4 15.0183440 0.0088630
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5 4.91507800 0.0305400
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S 1
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1 1.79492400 1.0000000
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S 1
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1 0.71071600 1.0000000
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S 1
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1 0.30480200 1.0000000
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S 1
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1 0.13804600 1.0000000
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S 1
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1 0.06215700 1.0000000
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P 1
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1 4.3950000 1.0000000
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P 1
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1 1.9950000 1.0000000
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P 1
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1 0.9060000 1.0000000
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P 1
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P 1
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D 1
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D 1
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1 2.2150000 1.0000000
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D 1
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1 0.9860000 1.0000000
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D 1
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1 0.4390000 1.0000000
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F 1
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1 3.6650000 1.0000000
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F 1
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1 1.6190000 1.0000000
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F 1
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1 0.7150000 1.0000000
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G 1
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1 3.4480000 1.0000000
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G 1
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1 1.3120000 1.0000000
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H 1
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1 2.7580000 1.0000000
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CARBON
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S 11
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1 312229.0000000 0.0000060
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2 46749.6900000 0.0000440
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3 10638.5500000 0.0002320
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5 983.0464000 0.0035500
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6 354.8877000 0.0114390
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7 138.4034000 0.0330020
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8 57.3618400 0.0839960
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9 24.9283800 0.1806840
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10 11.2296400 0.3049890
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11 5.2015490 0.3412880
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S 11
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1 312229.0000000 0.0000010
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2 46749.6900000 0.0000090
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3 10638.5500000 0.0000490
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5 983.0464000 0.0007600
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6 354.8877000 0.0024540
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7 138.4034000 0.0072020
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8 57.3618400 0.0187950
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9 24.9283800 0.0432490
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10 11.2296400 0.0826210
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11 5.2015490 0.1285180
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S 1
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1 2.4265640 1.0000000
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S 1
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1 0.9673440 1.0000000
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S 1
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1 0.4455990 1.0000000
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S 1
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1 0.1971220 1.0000000
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S 1
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1 0.0863470 1.0000000
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P 6
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1 478.6415000 0.0000620
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2 113.4184000 0.0005370
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3 36.8162300 0.0029260
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4 13.9649200 0.0115030
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5 5.7807870 0.0357210
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6 2.5435940 0.0931200
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P 1
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1 1.1737790 1.0000000
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P 1
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1 0.5536750 1.0000000
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P 1
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1 0.2621730 1.0000000
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P 1
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1 0.1236170 1.0000000
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P 1
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1 0.0566710 1.0000000
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D 1
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1 5.5584000 1.0000000
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D 1
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1 2.3160000 1.0000000
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D 1
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1 0.9650000 1.0000000
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D 1
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1 0.4020830 1.0000000
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D 1
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1 0.1675350 1.0000000
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F 1
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1 2.8629090 1.0000000
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F 1
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1 1.1928790 1.0000000
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F 1
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1 0.4970330 1.0000000
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F 1
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1 0.2070970 1.0000000
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G 1
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1 3.1260000 1.0000000
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G 1
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1 1.3400000 1.0000000
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G 1
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1 0.5583330 1.0000000
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H 1
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1 1.9055100 1.0000000
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H 1
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1 0.7939620 1.0000000
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I 1
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1 1.5090000 1.0000000
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NITROGEN
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S 11
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1 432381.1000000 0.0000060
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2 64743.4200000 0.0000430
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3 14733.7000000 0.0002290
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4 4173.2540000 0.0009650
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5 1361.4770000 0.0035000
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6 491.5049000 0.0112840
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7 191.6857000 0.0325990
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8 79.4549900 0.0832300
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9 34.5496800 0.1799300
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10 15.5867300 0.3049550
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11 7.2354440 0.3411590
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S 11
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1 432381.1000000 0.0000010
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2 64743.4200000 0.0000100
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3 14733.7000000 0.0000500
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4 4173.2540000 0.0002130
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5 1361.4770000 0.0007750
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6 491.5049000 0.0025040
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7 191.6857000 0.0073620
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8 79.4549900 0.0192860
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9 34.5496800 0.0446990
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10 15.5867300 0.0860480
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11 7.2354440 0.1332490
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S 1
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1 3.3837390 1.0000000
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S 1
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1 1.3697280 1.0000000
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S 1
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1 0.6250890 1.0000000
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S 1
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1 0.2748190 1.0000000
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S 1
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1 0.1192090 1.0000000
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P 6
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1 673.5556000 0.0000640
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2 159.5845000 0.0005620
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3 51.8017000 0.0030850
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4 19.6734300 0.0122980
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5 8.1753450 0.0386250
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6 3.6161310 0.0998150
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P 1
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1 1.6734140 1.0000000
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P 1
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1 0.7892460 1.0000000
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P 1
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P 1
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1 0.1740380 1.0000000
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P 1
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1 0.0786810 1.0000000
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D 1
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1 7.6780800 1.0000000
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D 1
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1 3.1992000 1.0000000
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D 1
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1 1.3330000 1.0000000
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D 1
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1 0.5554170 1.0000000
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D 1
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1 0.2314240 1.0000000
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F 1
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1 4.0080730 1.0000000
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F 1
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1 1.6700300 1.0000000
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F 1
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1 0.6958460 1.0000000
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F 1
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1 0.2899360 1.0000000
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G 1
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1 4.0632000 1.0000000
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G 1
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1 1.6930000 1.0000000
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G 1
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1 0.7054170 1.0000000
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H 1
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1 2.7792530 1.0000000
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H 1
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I 1
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1 2.2220000 1.0000000
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OXYGEN
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S 11
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1 570979.8000000 0.0000060
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2 85496.9000000 0.0000430
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9 45.6503600 0.1796680
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10 20.6176200 0.3052010
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S 11
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S 1
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1 4.4925100 1.0000000
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S 1
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1 1.8369430 1.0000000
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S 1
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1 0.8348030 1.0000000
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S 1
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S 1
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P 5
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1 525.7638000 0.0001670
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2 124.6306000 0.0014330
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3 40.3430000 0.0075480
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P 1
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1 2.7326240 1.0000000
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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