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- C = 1.5 (.5,.5,.5)
- O = 1.4 (1.,0.,0.)
- H = 0.9 (1.,1.,1.)
- C: 1.64975 0.69766 0.45738
- C: 0.94920 0.00712 1.60311
- C: 1.69425 0.15662 2.92208
- C: 3.15032 -0.23289 2.71628
- C: 3.77062 0.53799 1.57166
- C: 5.19878 0.15052 1.27351
- H: 1.25629 0.49833 -0.42160
- H: 1.12543 -0.59494 4.61506
- H: 4.30105 -0.67630 4.15827
- H: 5.22582 -1.44414 0.20878
- H: -1.68378 -2.11028 3.07120
- H: -0.44494 -1.84585 3.27327
- H: 0.95094 -0.94581 1.40580
- H: 1.68378 1.21532 3.19046
- H: 3.21052 -1.16446 2.48974
- H: 3.75142 1.54076 1.85383
- H: 5.53989 0.60512 0.40918
- H: 5.70565 0.40680 2.04693
- H: 1.45695 2.36453 -0.13796
- H: -0.44494 1.13396 1.99181
- O: 1.58258 2.09909 0.61982
- O: -0.40742 0.42358 1.69164
- O: 1.07046 -0.72461 3.84777
- O: 3.87531 0.04882 3.92243
- O: 3.00986 0.27662 0.36353
- O: 5.35058 -1.26769 1.09482
- O: -1.02859 -2.41537 3.26159
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