internuclear distances
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center one | center two | atomic units | angstroms
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2 C | 1 N | 2.67509 | 1.41560
3 C | 2 C | 2.59902 | 1.37534
4 H | 3 C | 2.04425 | 1.08177
5 C | 3 C | 2.64266 | 1.39844
6 H | 5 C | 2.03908 | 1.07903
7 C | 5 C | 2.62048 | 1.38670
8 O | 7 C | 2.55494 | 1.35202
9 C | 7 C | 2.64297 | 1.39860
10 H | 9 C | 2.04261 | 1.08090
11 C | 2 C | 2.63361 | 1.39365
11 C | 9 C | 2.59693 | 1.37423
12 C | 11 C | 2.86311 | 1.51509
13 C | 8 O | 2.64280 | 1.39851
14 H | 13 C | 2.05363 | 1.08673
15 H | 13 C | 2.06486 | 1.09268
16 H | 13 C | 2.06516 | 1.09284
17 C | 1 N | 2.69624 | 1.42679
17 C | 12 C | 2.89434 | 1.53162
18 O | 17 C | 2.69228 | 1.42469
19 H | 17 C | 2.05116 | 1.08543
20 H | 1 N | 1.89520 | 1.00290
21 O | 12 C | 2.70394 | 1.43087
21 O | 18 O | 2.67893 | 1.41763
22 C | 12 C | 2.86403 | 1.51558
23 H | 22 C | 2.06720 | 1.09392
24 C | 22 C | 2.89016 | 1.52941
25 H | 22 C | 2.06063 | 1.09044
26 H | 24 C | 2.05320 | 1.08650
27 H | 24 C | 2.05874 | 1.08944
28 N | 24 C | 2.74096 | 1.45045
29 H | 28 N | 1.88476 | 0.99737
30 C | 28 N | 2.56357 | 1.35658
31 C | 30 C | 2.85807 | 1.51242
32 O | 30 C | 2.26644 | 1.19935
33 H | 31 C | 2.05992 | 1.09006
34 H | 31 C | 2.06403 | 1.09224
35 H | 31 C | 2.05482 | 1.08736
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number of included internuclear distances: 37
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