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Last change
on this file since 4575 was
2349,
checked in by vondreele, 7 years ago
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add data directories with stuff needed to do tutorials
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File size:
980 bytes
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| Line | |
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| 1 | 19
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| 2 | Energy: 47.5811104
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| 3 | C -3.89153 6.69494 5.44592
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| 4 | C -3.65435 5.79799 4.38790
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| 5 | C -2.51781 4.96396 4.40814
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| 6 | C -1.65709 5.05148 5.49495
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| 7 | C -1.89138 5.93977 6.54912
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| 8 | C -3.00957 6.76466 6.52287
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| 9 | C -4.53557 5.68938 3.29878
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| 10 | C -4.27065 4.80492 2.25688
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| 11 | C -3.13878 4.00930 2.40035
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| 12 | N -2.25609 4.08515 3.42650
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| 13 | N -5.22869 4.56245 1.26649
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| 14 | H -4.76666 7.34005 5.43614
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| 15 | H -0.78453 4.40364 5.52488
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| 16 | H -1.19991 5.97984 7.38681
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| 17 | H -3.19754 7.45703 7.33948
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| 18 | H -5.43835 6.29308 3.27409
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| 19 | H -2.89845 3.24838 1.66301
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| 20 | H -5.84344 5.34717 1.07500
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| 21 | H -4.86087 4.14150 0.41852
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