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- COMPND neopentyl chloride
- ATOM 1 C MOL 1 0.908 0.936 -0.004 1.00 0.00
- ATOM 2 CL MOL 1 2.504 0.112 -0.020 1.00 0.00
- ATOM 3 C MOL 1 -0.300 -0.024 -0.000 1.00 0.00
- ATOM 4 C MOL 1 -1.584 0.836 0.008 1.00 0.00
- ATOM 5 C MOL 1 -0.300 -0.904 1.260 1.00 0.00
- ATOM 6 C MOL 1 -0.316 -0.908 -1.260 1.00 0.00
- ATOM 7 H MOL 1 0.908 1.584 0.900 1.00 0.00
- ATOM 8 H MOL 1 0.892 1.592 -0.904 1.00 0.00
- ATOM 9 H MOL 1 -2.500 0.204 0.016 1.00 0.00
- ATOM 10 H MOL 1 -1.640 1.492 -0.892 1.00 0.00
- ATOM 11 H MOL 1 -1.628 1.492 0.904 1.00 0.00
- ATOM 12 H MOL 1 0.576 -1.588 1.292 1.00 0.00
- ATOM 13 H MOL 1 -1.208 -1.544 1.304 1.00 0.00
- ATOM 14 H MOL 1 -0.280 -0.288 2.188 1.00 0.00
- ATOM 15 H MOL 1 0.556 -1.592 -1.296 1.00 0.00
- ATOM 16 H MOL 1 -0.300 -0.292 -2.188 1.00 0.00
- ATOM 17 H MOL 1 -1.228 -1.544 -1.292 1.00 0.00
- COLOR# ## C ### ## 50.0 50.0 50.0 0.48 1.43
- COLOR# ## CL ### ## 00.0 99.0 00.0 0.56 1.69
- COLOR# ## H ### ## 99.0 99.0 00.0 0.38 1.14
- TER 18 MOL 1
- END
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