C1B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.39Å | |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.40Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.41Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.29Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N4 | sing | 1.38Å | 1.32Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | doub | 1.38Å | 1.31Å | |
| C7 | N2 | sing | 1.30Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN21 | sing | 8.77Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N3 | C8 | doub | 1.31Å | 1.30Å | Aromatic |
| N4 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C8 | C1' | sing | 1.48Å | 1.40Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.41Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | CVX | sing | 1.51Å | 1.53Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| CVX | CWX | sing | 1.51Å | 1.57Å | |
| CVX | C6X | sing | 1.53Å | 1.57Å | |
| CVX | H31' | sing | 1.09Å | 1.10Å | |
| CWX | OXX | doub | 1.34Å | 1.23Å | |
| CWX | OYX | sing | 1.21Å | 1.22Å | |
| OYX | H34' | sing | 3.70Å | 0.95Å | |
| C6X | C7X | sing | 1.51Å | 1.57Å | |
| C6X | H421 | sing | 1.09Å | 1.10Å | |
| C6X | H422 | sing | 1.09Å | 1.10Å | |
| C7X | O8X | sing | 1.34Å | 1.23Å | |
| C7X | O9X | doub | 1.21Å | 1.22Å | |
| O8X | H44' | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.40Å | 1.42Å | Aromatic |
| C5' | C1B | sing | 1.48Å | 1.40Å | Aromatic |
| C6' | O6' | sing | 1.36Å | 1.38Å | |
| O6' | H6' | sing | 0.97Å | 0.95Å | |
| C1B | C2B | sing | 1.40Å | 1.39Å | Aromatic |
| C1B | C6B | doub | 1.39Å | 1.41Å | Aromatic |
| C2B | C3B | doub | 1.39Å | 1.37Å | Aromatic |
| C2B | O2B | sing | 1.36Å | 1.38Å | |
| C3B | C4B | sing | 1.38Å | 1.37Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C4B | C5B | doub | 1.38Å | 1.37Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C51 | sing | 1.51Å | 1.53Å | |
| C5B | C6B | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | N52 | sing | 1.46Å | 1.48Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| N52 | C53 | sing | 1.35Å | 1.32Å | |
| N52 | H52 | sing | 0.97Å | 1.00Å | |
| C53 | O54 | doub | 1.22Å | 1.22Å | |
| C53 | N55 | sing | 1.35Å | 1.31Å | |
| N55 | H551 | sing | 0.97Å | 1.00Å | |
| N55 | H552 | sing | 0.97Å | 1.00Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.6° | 120.2° |
| C2 | C1 | C7 | 120.6° | 119.9° |
| C1 | C2 | C3 | 122.0° | 120.5° |
| C1 | C2 | H2 | 119.0° | 119.7° |
| C6 | C1 | C7 | 121.8° | 119.9° |
| C1 | C6 | C5 | 118.0° | 119.6° |
| C1 | C6 | H6 | 121.0° | 120.2° |
| C1 | C7 | N1 | 118.1° | 120.0° |
| C1 | C7 | N2 | 119.2° | 120.0° |
| C3 | C2 | H2 | 119.0° | 119.7° |
| C2 | C3 | C4 | 116.3° | 120.1° |
| C2 | C3 | H3 | 121.9° | 120.0° |
| C4 | C3 | H3 | 121.8° | 119.9° |
| C3 | C4 | C5 | 123.7° | 119.7° |
| C3 | C4 | N3 | 129.5° | 133.2° |
| C5 | C4 | N3 | 106.8° | 107.2° |
| C4 | C5 | C6 | 122.4° | 119.9° |
| C4 | C5 | N4 | 112.6° | 106.2° |
| C4 | N3 | C8 | 105.8° | 109.8° |
| C6 | C5 | N4 | 125.0° | 133.9° |
| C5 | C6 | H6 | 121.0° | 120.1° |
| C5 | N4 | C8 | 99.8° | 107.1° |
| C5 | N4 | HN4 | 130.1° | 126.5° |
| N1 | C7 | N2 | 122.6° | 120.0° |
| C7 | N1 | HN1 | 109.7° | 120.0° |
| C7 | N2 | HN21 | 125.1° | 68.0° |
| C7 | N2 | HN22 | 109.7° | 120.1° |
| HN21 | N2 | HN22 | 125.2° | 171.9° |
| N3 | C8 | N4 | 115.0° | 109.7° |
| N3 | C8 | C1' | 123.4° | 125.1° |
| C8 | N4 | HN4 | 130.1° | 126.5° |
| N4 | C8 | C1' | 121.5° | 125.1° |
| C8 | C1' | C2' | 120.6° | 120.1° |
| C8 | C1' | C6' | 122.3° | 120.1° |
| C2' | C1' | C6' | 117.1° | 119.8° |
| C1' | C2' | C3' | 122.2° | 120.1° |
| C1' | C2' | H2' | 118.9° | 120.0° |
| C1' | C6' | C5' | 122.8° | 119.6° |
| C1' | C6' | O6' | 116.6° | 120.2° |
| C3' | C2' | H2' | 119.0° | 119.9° |
| C2' | C3' | CVX | 119.0° | 119.8° |
| C2' | C3' | C4' | 119.7° | 120.4° |
| CVX | C3' | C4' | 121.3° | 119.8° |
| C3' | CVX | CWX | 107.2° | 109.5° |
| C3' | CVX | C6X | 110.8° | 109.5° |
| C3' | CVX | H31' | 113.3° | 109.4° |
| C3' | C4' | C5' | 121.5° | 120.2° |
| C3' | C4' | H4' | 119.2° | 119.9° |
| CWX | CVX | C6X | 117.4° | 109.5° |
| CWX | CVX | H31' | 106.0° | 109.5° |
| CVX | CWX | OXX | 115.7° | 120.0° |
| CVX | CWX | OYX | 120.1° | 120.1° |
| C6X | CVX | H31' | 102.1° | 109.4° |
| CVX | C6X | C7X | 113.9° | 109.5° |
| CVX | C6X | H421 | 107.0° | 109.5° |
| CVX | C6X | H422 | 108.0° | 109.5° |
| OXX | CWX | OYX | 124.2° | 119.9° |
| CWX | OYX | H34' | 109.5° | 97.6° |
| C7X | C6X | H421 | 107.0° | 109.5° |
| C7X | C6X | H422 | 108.0° | 109.4° |
| C6X | C7X | O8X | 122.2° | 120.0° |
| C6X | C7X | O9X | 115.6° | 120.0° |
| H421 | C6X | H422 | 113.0° | 109.4° |
| O8X | C7X | O9X | 122.1° | 120.0° |
| C7X | O8X | H44' | 109.5° | 120.0° |
| C5' | C4' | H4' | 119.2° | 119.8° |
| C4' | C5' | C6' | 116.8° | 119.8° |
| C4' | C5' | C1B | 120.0° | 120.1° |
| C6' | C5' | C1B | 123.2° | 120.1° |
| C5' | C6' | O6' | 120.6° | 120.1° |
| C5' | C1B | C2B | 121.9° | 120.1° |
| C5' | C1B | C6B | 121.6° | 120.1° |
| C6' | O6' | H6' | 109.5° | 106.8° |
| C2B | C1B | C6B | 116.5° | 119.7° |
| C1B | C2B | C3B | 122.0° | 119.7° |
| C1B | C2B | O2B | 121.8° | 120.1° |
| C1B | C6B | C5B | 121.4° | 119.9° |
| C1B | C6B | H6B | 119.3° | 120.0° |
| C3B | C2B | O2B | 116.2° | 120.1° |
| C2B | C3B | C4B | 120.5° | 120.0° |
| C2B | C3B | H3B | 119.7° | 119.9° |
| C2B | O2B | H2B | 109.5° | 106.8° |
| C4B | C3B | H3B | 119.7° | 120.0° |
| C3B | C4B | C5B | 120.5° | 120.4° |
| C3B | C4B | H4B | 119.7° | 119.8° |
| C5B | C4B | H4B | 119.7° | 119.8° |
| C4B | C5B | C51 | 118.0° | 119.9° |
| C4B | C5B | C6B | 119.0° | 120.2° |
| C51 | C5B | C6B | 123.0° | 119.9° |
| C5B | C51 | N52 | 107.1° | 109.4° |
| C5B | C51 | H511 | 110.8° | 109.5° |
| C5B | C51 | H512 | 110.3° | 109.5° |
| C5B | C6B | H6B | 119.3° | 120.1° |
| N52 | C51 | H511 | 110.8° | 109.5° |
| N52 | C51 | H512 | 110.3° | 109.5° |
| C51 | N52 | C53 | 119.7° | 120.0° |
| C51 | N52 | H52 | 120.2° | 120.1° |
| H511 | C51 | H512 | 107.6° | 109.5° |
| C53 | N52 | H52 | 120.2° | 120.0° |
| N52 | C53 | O54 | 121.5° | 120.0° |
| N52 | C53 | N55 | 122.7° | 120.0° |
| O54 | C53 | N55 | 115.8° | 120.0° |
| C53 | N55 | H551 | 123.5° | 120.0° |
| C53 | N55 | H552 | 112.9° | 120.0° |
| H551 | N55 | H552 | 123.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C7 | N1 | 160.1° | 0.0° |
| C2 | C1 | C7 | N2 | 19.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 179.8° | 180.0° |
| C6 | C1 | C7 | N1 | 19.9° | 180.0° |
| C6 | C1 | C7 | N2 | 160.3° | 0.0° |
| C7 | C1 | C2 | C3 | 179.8° | 179.9° |
| C7 | C1 | C2 | H2 | 0.2° | 0.0° |
| C7 | C1 | C6 | C5 | 179.8° | 180.0° |
| C7 | C1 | C6 | H6 | 0.1° | 0.0° |
| C1 | C7 | N1 | N2 | 179.8° | 180.0° |
| C1 | C7 | N1 | HN1 | 180.0° | 0.0° |
| C1 | C7 | N2 | HN21 | 179.9° | 0.1° |
| C1 | C7 | N2 | HN22 | 0.1° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | N3 | 179.9° | 179.7° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | N3 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | N4 | 179.9° | 180.0° |
| C3 | C4 | N3 | C8 | 179.9° | 179.9° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | N3 | 0.1° | 0.3° |
| C4 | C5 | C6 | N4 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | N3 | C8 | 0.0° | 0.4° |
| C4 | C5 | N4 | C8 | 0.1° | 0.0° |
| C4 | C5 | N4 | HN4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 179.9° | 179.8° |
| N3 | C4 | C5 | N4 | 0.0° | 0.2° |
| C4 | N3 | C8 | N4 | 0.1° | 0.4° |
| C4 | N3 | C8 | C1' | 179.7° | 179.8° |
| C6 | C5 | N4 | C8 | 179.9° | 180.0° |
| C6 | C5 | N4 | HN4 | 0.1° | 0.0° |
| N4 | C5 | C6 | H6 | 0.2° | 0.0° |
| C5 | N4 | C8 | N3 | 0.1° | 0.2° |
| C5 | N4 | C8 | HN4 | 180.0° | 180.0° |
| C5 | N4 | C8 | C1' | 179.7° | 180.0° |
| N1 | C7 | N2 | HN21 | 0.1° | 179.9° |
| N1 | C7 | N2 | HN22 | 179.9° | 0.0° |
| N2 | C7 | N1 | HN1 | 0.2° | 180.0° |
| C7 | N2 | HN21 | HN22 | 180.0° | 179.5° |
| N3 | C8 | N4 | C1' | 179.8° | 179.8° |
| N3 | C8 | N4 | HN4 | 179.9° | 179.8° |
| N3 | C8 | C1' | C2' | 179.5° | 140.3° |
| N3 | C8 | C1' | C6' | 0.4° | 40.0° |
| N4 | C8 | C1' | C2' | 0.8° | 40.0° |
| N4 | C8 | C1' | C6' | 179.3° | 139.7° |
| HN4 | N4 | C8 | C1' | 0.3° | 0.0° |
| C8 | C1' | C2' | C6' | 179.9° | 179.7° |
| C8 | C1' | C2' | C3' | 179.9° | 180.0° |
| C8 | C1' | C2' | H2' | 0.1° | 0.1° |
| C8 | C1' | C6' | C5' | 179.9° | 179.7° |
| C8 | C1' | C6' | O6' | 0.3° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | CVX | 177.5° | 180.0° |
| C1' | C2' | C3' | C4' | 0.2° | 0.0° |
| C2' | C1' | C6' | C5' | 0.2° | 0.6° |
| C2' | C1' | C6' | O6' | 179.8° | 180.0° |
| C6' | C1' | C2' | C3' | 0.0° | 0.3° |
| C6' | C1' | C2' | H2' | 180.0° | 179.8° |
| C1' | C6' | C5' | C4' | 0.2° | 0.6° |
| C1' | C6' | C5' | O6' | 179.6° | 179.4° |
| C1' | C6' | C5' | C1B | 179.9° | 179.7° |
| C1' | C6' | O6' | H6' | 121.6° | 90.0° |
| C2' | C3' | CVX | C4' | 177.6° | 180.0° |
| C2' | C3' | CVX | CWX | 129.9° | 60.0° |
| C2' | C3' | CVX | C6X | 100.9° | 60.1° |
| C2' | C3' | CVX | H31' | 13.2° | 180.0° |
| C2' | C3' | C4' | C5' | 0.1° | 0.0° |
| C2' | C3' | C4' | H4' | 179.9° | 180.0° |
| H2' | C2' | C3' | CVX | 2.5° | 0.0° |
| H2' | C2' | C3' | C4' | 179.9° | 180.0° |
| C3' | CVX | CWX | C6X | 125.4° | 120.1° |
| C3' | CVX | CWX | H31' | 121.4° | 120.0° |
| C3' | CVX | C6X | H31' | 121.0° | 120.0° |
| C3' | CVX | CWX | OXX | 67.0° | 180.0° |
| C3' | CVX | CWX | OYX | 112.7° | 0.0° |
| C3' | CVX | C6X | C7X | 72.8° | 175.0° |
| C3' | CVX | C6X | H421 | 169.2° | 54.9° |
| C3' | CVX | C6X | H422 | 47.2° | 65.0° |
| CVX | C3' | C4' | C5' | 177.5° | 179.9° |
| CVX | C3' | C4' | H4' | 2.5° | 0.0° |
| C4' | C3' | CVX | CWX | 47.8° | 120.0° |
| C4' | C3' | CVX | C6X | 81.5° | 120.0° |
| C4' | C3' | CVX | H31' | 164.4° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 0.0° | 0.3° |
| C3' | C4' | C5' | C1B | 179.9° | 179.9° |
| CWX | CVX | C6X | H31' | 115.5° | 120.0° |
| CVX | CWX | OXX | OYX | 179.6° | 180.0° |
| CVX | CWX | OYX | H34' | 179.6° | 1.8° |
| CWX | CVX | C6X | C7X | 163.7° | 65.0° |
| CWX | CVX | C6X | H421 | 45.7° | 175.0° |
| CWX | CVX | C6X | H422 | 76.3° | 55.0° |
| C6X | CVX | CWX | OXX | 167.7° | 60.0° |
| C6X | CVX | CWX | OYX | 12.7° | 120.0° |
| CVX | C6X | C7X | H421 | 118.0° | 120.1° |
| CVX | C6X | C7X | H422 | 120.0° | 120.0° |
| CVX | C6X | H421 | H422 | 118.8° | 120.0° |
| CVX | C6X | C7X | O8X | 32.2° | 180.0° |
| CVX | C6X | C7X | O9X | 148.1° | 0.1° |
| H31' | CVX | CWX | OXX | 54.4° | 60.0° |
| H31' | CVX | CWX | OYX | 126.0° | 120.0° |
| H31' | CVX | C6X | C7X | 48.2° | 55.0° |
| H31' | CVX | C6X | H421 | 69.8° | 65.0° |
| H31' | CVX | C6X | H422 | 168.2° | 175.0° |
| OXX | CWX | OYX | H34' | 0.0° | 178.2° |
| C7X | C6X | H421 | H422 | 118.8° | 119.9° |
| C6X | C7X | O8X | O9X | 179.6° | 179.9° |
| C6X | C7X | O8X | H44' | 179.6° | 180.0° |
| H421 | C6X | C7X | O8X | 85.8° | 59.9° |
| H421 | C6X | C7X | O9X | 93.8° | 120.0° |
| H422 | C6X | C7X | O8X | 152.2° | 60.0° |
| H422 | C6X | C7X | O9X | 28.1° | 120.1° |
| O9X | C7X | O8X | H44' | 0.0° | 0.0° |
| C4' | C5' | C6' | C1B | 179.9° | 179.7° |
| C4' | C5' | C6' | O6' | 179.8° | 180.0° |
| C4' | C5' | C1B | C2B | 139.2° | 115.0° |
| C4' | C5' | C1B | C6B | 41.7° | 65.3° |
| H4' | C4' | C5' | C6' | 180.0° | 179.7° |
| H4' | C4' | C5' | C1B | 0.0° | 0.0° |
| C5' | C6' | O6' | H6' | 58.0° | 90.5° |
| C6' | C5' | C1B | C2B | 40.9° | 64.7° |
| C6' | C5' | C1B | C6B | 138.2° | 115.0° |
| C1B | C5' | C6' | O6' | 0.3° | 0.2° |
| C5' | C1B | C2B | C6B | 179.1° | 179.7° |
| C5' | C1B | C2B | C3B | 178.6° | 180.0° |
| C5' | C1B | C2B | O2B | 2.9° | 0.0° |
| C5' | C1B | C6B | C5B | 178.8° | 179.7° |
| C5' | C1B | C6B | H6B | 1.2° | 0.3° |
| C1B | C2B | C3B | O2B | 178.7° | 180.0° |
| C1B | C2B | C3B | C4B | 0.4° | 0.0° |
| C1B | C2B | C3B | H3B | 179.6° | 180.0° |
| C2B | C1B | C6B | C5B | 0.4° | 0.6° |
| C2B | C1B | C6B | H6B | 179.7° | 180.0° |
| C1B | C2B | O2B | H2B | 128.1° | 90.0° |
| C6B | C1B | C2B | C3B | 0.6° | 0.3° |
| C6B | C1B | C2B | O2B | 178.0° | 179.7° |
| C1B | C6B | C5B | C4B | 0.0° | 0.6° |
| C1B | C6B | C5B | C51 | 179.9° | 179.7° |
| C1B | C6B | C5B | H6B | 180.0° | 179.4° |
| C2B | C3B | C4B | H3B | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.1° | 0.0° |
| C2B | C3B | C4B | H4B | 179.9° | 180.0° |
| C3B | C2B | O2B | H2B | 50.6° | 90.0° |
| O2B | C2B | C3B | C4B | 178.2° | 180.0° |
| O2B | C2B | C3B | H3B | 1.8° | 0.0° |
| C3B | C4B | C5B | H4B | 180.0° | 180.0° |
| C3B | C4B | C5B | C51 | 179.9° | 180.0° |
| C3B | C4B | C5B | C6B | 0.2° | 0.3° |
| H3B | C3B | C4B | C5B | 179.9° | 180.0° |
| H3B | C3B | C4B | H4B | 0.1° | 0.0° |
| C4B | C5B | C51 | C6B | 180.0° | 179.7° |
| C4B | C5B | C51 | N52 | 144.8° | 90.0° |
| C4B | C5B | C51 | H511 | 23.9° | 30.0° |
| C4B | C5B | C51 | H512 | 95.2° | 150.0° |
| C4B | C5B | C6B | H6B | 180.0° | 180.0° |
| H4B | C4B | C5B | C51 | 0.1° | 0.0° |
| H4B | C4B | C5B | C6B | 179.9° | 179.7° |
| C5B | C51 | N52 | H511 | 120.9° | 120.0° |
| C5B | C51 | N52 | H512 | 120.0° | 120.0° |
| C5B | C51 | H511 | H512 | 120.6° | 120.0° |
| C5B | C51 | N52 | C53 | 103.1° | 180.0° |
| C5B | C51 | N52 | H52 | 76.9° | 0.1° |
| C51 | C5B | C6B | H6B | 0.0° | 0.3° |
| C6B | C5B | C51 | N52 | 35.2° | 90.3° |
| C6B | C5B | C51 | H511 | 156.1° | 149.7° |
| C6B | C5B | C51 | H512 | 84.9° | 29.7° |
| N52 | C51 | H511 | H512 | 120.6° | 120.1° |
| C51 | N52 | C53 | H52 | 180.0° | 180.0° |
| C51 | N52 | C53 | O54 | 0.6° | 0.0° |
| C51 | N52 | C53 | N55 | 179.7° | 180.0° |
| H511 | C51 | N52 | C53 | 136.0° | 60.0° |
| H511 | C51 | N52 | H52 | 44.0° | 120.0° |
| H512 | C51 | N52 | C53 | 17.0° | 60.0° |
| H512 | C51 | N52 | H52 | 163.0° | 119.9° |
| N52 | C53 | O54 | N55 | 179.7° | 180.0° |
| N52 | C53 | N55 | H551 | 179.9° | 180.0° |
| N52 | C53 | N55 | H552 | 0.1° | 0.3° |
| H52 | N52 | C53 | O54 | 179.4° | 179.9° |
| H52 | N52 | C53 | N55 | 0.3° | 0.0° |
| O54 | C53 | N55 | H551 | 0.1° | 0.0° |
| O54 | C53 | N55 | H552 | 179.9° | 179.8° |
| C53 | N55 | H551 | H552 | 180.0° | 179.8° |
