DZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C96 | C94 | sing | 1.53Å | 1.53Å | |
| C96 | H961 | sing | 1.09Å | 1.10Å | |
| C96 | H962 | sing | 1.09Å | 1.10Å | |
| C96 | H963 | sing | 1.09Å | 1.10Å | |
| C94 | C95 | sing | 1.53Å | 1.53Å | |
| C94 | N94 | sing | 1.47Å | 1.47Å | |
| C94 | H94 | sing | 1.09Å | 1.10Å | |
| C95 | H951 | sing | 1.09Å | 1.10Å | |
| C95 | H952 | sing | 1.09Å | 1.10Å | |
| C95 | H953 | sing | 1.09Å | 1.10Å | |
| N94 | C93 | sing | 1.47Å | 1.47Å | |
| N94 | HN94 | sing | 1.01Å | 1.00Å | |
| C93 | C92 | sing | 1.53Å | 1.53Å | |
| C93 | H931 | sing | 1.09Å | 1.10Å | |
| C93 | H932 | sing | 1.09Å | 1.10Å | |
| C92 | C91 | sing | 1.53Å | 1.53Å | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | sing | 1.09Å | 1.10Å | |
| C91 | N9 | sing | 1.47Å | 1.47Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | F2 | sing | 1.35Å | 1.35Å | |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | C81 | sing | 1.51Å | 1.53Å | |
| C81 | C1' | sing | 1.51Å | 1.53Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C1' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C6' | C5' | doub | 1.38Å | 1.39Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C5' | O3' | sing | 1.37Å | 1.36Å | |
| C5' | C4' | sing | 1.39Å | 1.39Å | Aromatic |
| O3' | C7' | sing | 1.44Å | 1.44Å | |
| C7' | O1' | sing | 1.44Å | 1.44Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.09Å | 1.10Å | |
| O1' | C4' | sing | 1.37Å | 1.36Å | |
| C4' | C3' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | C2' | sing | 1.38Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C2' | I | sing | 2.10Å | 2.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C94 | C96 | H961 | 109.4° | 109.5° |
| C94 | C96 | H962 | 109.5° | 109.4° |
| C94 | C96 | H963 | 109.5° | 109.4° |
| C96 | C94 | C95 | 110.7° | 109.5° |
| C96 | C94 | N94 | 109.8° | 109.5° |
| C96 | C94 | H94 | 108.4° | 109.5° |
| H961 | C96 | H962 | 109.5° | 109.5° |
| H961 | C96 | H963 | 109.4° | 109.5° |
| H962 | C96 | H963 | 109.5° | 109.5° |
| C95 | C94 | N94 | 109.4° | 109.5° |
| C95 | C94 | H94 | 108.9° | 109.5° |
| C94 | C95 | H951 | 109.4° | 109.5° |
| C94 | C95 | H952 | 109.5° | 109.5° |
| C94 | C95 | H953 | 109.5° | 109.5° |
| N94 | C94 | H94 | 109.7° | 109.5° |
| C94 | N94 | C93 | 110.3° | 106.7° |
| C94 | N94 | HN94 | 109.2° | 106.8° |
| H951 | C95 | H952 | 109.5° | 109.4° |
| H951 | C95 | H953 | 109.5° | 109.5° |
| H952 | C95 | H953 | 109.4° | 109.4° |
| C93 | N94 | HN94 | 109.2° | 106.7° |
| N94 | C93 | C92 | 109.6° | 109.5° |
| N94 | C93 | H931 | 109.4° | 109.4° |
| N94 | C93 | H932 | 109.4° | 109.5° |
| C92 | C93 | H931 | 109.4° | 109.4° |
| C92 | C93 | H932 | 109.4° | 109.5° |
| C93 | C92 | C91 | 111.5° | 109.5° |
| C93 | C92 | H921 | 108.4° | 109.5° |
| C93 | C92 | H922 | 108.8° | 109.5° |
| H931 | C93 | H932 | 109.6° | 109.5° |
| C91 | C92 | H921 | 108.3° | 109.4° |
| C91 | C92 | H922 | 108.8° | 109.5° |
| C92 | C91 | N9 | 109.3° | 109.5° |
| C92 | C91 | H911 | 109.5° | 109.4° |
| C92 | C91 | H912 | 109.5° | 109.5° |
| H921 | C92 | H922 | 111.0° | 109.4° |
| N9 | C91 | H911 | 109.6° | 109.5° |
| N9 | C91 | H912 | 109.5° | 109.5° |
| C91 | N9 | C4 | 121.4° | 126.3° |
| C91 | N9 | C8 | 122.2° | 126.3° |
| H911 | C91 | H912 | 109.4° | 109.5° |
| C4 | N9 | C8 | 107.8° | 107.5° |
| N9 | C4 | N3 | 131.9° | 134.9° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C8 | N7 | 107.3° | 110.0° |
| N9 | C8 | C81 | 125.7° | 125.1° |
| N3 | C4 | C5 | 119.4° | 119.1° |
| C4 | N3 | C2 | 120.5° | 120.6° |
| C4 | C5 | C6 | 118.5° | 118.2° |
| C4 | C5 | N7 | 106.9° | 107.1° |
| N3 | C2 | F2 | 119.4° | 118.8° |
| N3 | C2 | N1 | 120.9° | 122.4° |
| F2 | C2 | N1 | 119.7° | 118.8° |
| C2 | N1 | C6 | 120.7° | 121.1° |
| N1 | C6 | N6 | 119.3° | 120.7° |
| N1 | C6 | C5 | 119.0° | 118.5° |
| N6 | C6 | C5 | 120.5° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.1° |
| C6 | C5 | N7 | 133.6° | 134.6° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| C5 | N7 | C8 | 108.0° | 109.4° |
| N7 | C8 | C81 | 126.2° | 125.0° |
| C8 | C81 | C1' | 109.9° | 109.5° |
| C8 | C81 | H811 | 109.3° | 109.5° |
| C8 | C81 | H812 | 109.3° | 109.5° |
| C1' | C81 | H811 | 109.2° | 109.4° |
| C1' | C81 | H812 | 109.3° | 109.5° |
| C81 | C1' | C6' | 117.2° | 120.0° |
| C81 | C1' | C2' | 124.1° | 119.9° |
| H811 | C81 | H812 | 109.8° | 109.5° |
| C6' | C1' | C2' | 118.6° | 120.1° |
| C1' | C6' | C5' | 121.1° | 120.0° |
| C1' | C6' | H6' | 119.4° | 120.0° |
| C1' | C2' | C3' | 120.4° | 120.1° |
| C1' | C2' | I | 120.7° | 120.0° |
| C5' | C6' | H6' | 119.4° | 120.0° |
| C6' | C5' | O3' | 131.6° | 131.5° |
| C6' | C5' | C4' | 119.7° | 119.8° |
| O3' | C5' | C4' | 108.5° | 108.7° |
| C5' | O3' | C7' | 104.7° | 105.4° |
| C5' | C4' | O1' | 109.1° | 108.6° |
| C5' | C4' | C3' | 119.4° | 119.9° |
| O3' | C7' | O1' | 104.4° | 103.8° |
| O3' | C7' | H7'1 | 112.3° | 110.5° |
| O3' | C7' | H7'2 | 111.2° | 110.6° |
| O1' | C7' | H7'1 | 112.3° | 110.5° |
| O1' | C7' | H7'2 | 111.2° | 110.6° |
| C7' | O1' | C4' | 104.4° | 105.5° |
| H7'1 | C7' | H7'2 | 105.6° | 110.6° |
| O1' | C4' | C3' | 131.6° | 131.5° |
| C4' | C3' | C2' | 120.1° | 120.0° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C2' | C3' | H3' | 119.9° | 120.0° |
| C3' | C2' | I | 118.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C94 | C96 | H961 | H962 | 120.0° | 120.0° |
| C94 | C96 | H961 | H963 | 120.0° | 120.0° |
| C94 | C96 | H962 | H963 | 120.0° | 119.9° |
| C96 | C94 | C95 | N94 | 121.1° | 120.0° |
| C96 | C94 | C95 | H94 | 119.0° | 120.0° |
| C96 | C94 | N94 | H94 | 119.0° | 120.0° |
| C96 | C94 | C95 | H951 | 17.5° | 180.0° |
| C96 | C94 | C95 | H952 | 137.5° | 60.0° |
| C96 | C94 | C95 | H953 | 102.5° | 60.0° |
| C96 | C94 | N94 | C93 | 67.0° | 155.0° |
| C96 | C94 | N94 | HN94 | 53.0° | 91.2° |
| H961 | C96 | H962 | H963 | 120.0° | 120.1° |
| H961 | C96 | C94 | C95 | 97.2° | 60.0° |
| H961 | C96 | C94 | N94 | 142.0° | 180.0° |
| H961 | C96 | C94 | H94 | 22.1° | 60.0° |
| H962 | C96 | C94 | C95 | 142.8° | 180.0° |
| H962 | C96 | C94 | N94 | 21.9° | 60.0° |
| H962 | C96 | C94 | H94 | 97.9° | 60.0° |
| H963 | C96 | C94 | C95 | 22.8° | 60.0° |
| H963 | C96 | C94 | N94 | 98.1° | 60.0° |
| H963 | C96 | C94 | H94 | 142.1° | 179.9° |
| C95 | C94 | N94 | H94 | 119.3° | 120.0° |
| C94 | C95 | H951 | H952 | 120.0° | 120.0° |
| C94 | C95 | H951 | H953 | 120.0° | 120.1° |
| C94 | C95 | H952 | H953 | 120.0° | 120.0° |
| C95 | C94 | N94 | C93 | 171.4° | 85.0° |
| C95 | C94 | N94 | HN94 | 68.7° | 28.8° |
| N94 | C94 | C95 | H951 | 103.7° | 60.0° |
| N94 | C94 | C95 | H952 | 16.4° | 180.0° |
| N94 | C94 | C95 | H953 | 136.3° | 60.0° |
| C94 | N94 | C93 | HN94 | 120.0° | 113.8° |
| C94 | N94 | C93 | C92 | 165.3° | 180.0° |
| C94 | N94 | C93 | H931 | 74.8° | 60.0° |
| C94 | N94 | C93 | H932 | 45.3° | 60.0° |
| H94 | C94 | C95 | H951 | 136.5° | 60.0° |
| H94 | C94 | C95 | H952 | 103.5° | 60.0° |
| H94 | C94 | C95 | H953 | 16.5° | 180.0° |
| H94 | C94 | N94 | C93 | 52.0° | 35.0° |
| H94 | C94 | N94 | HN94 | 172.0° | 148.8° |
| H951 | C95 | H952 | H953 | 120.0° | 120.0° |
| N94 | C93 | C92 | H931 | 119.9° | 120.0° |
| N94 | C93 | C92 | H932 | 120.0° | 120.0° |
| N94 | C93 | H931 | H932 | 120.0° | 120.0° |
| N94 | C93 | C92 | C91 | 86.7° | 180.0° |
| N94 | C93 | C92 | H921 | 154.2° | 60.0° |
| N94 | C93 | C92 | H922 | 33.4° | 60.0° |
| HN94 | N94 | C93 | C92 | 74.8° | 66.2° |
| HN94 | N94 | C93 | H931 | 45.2° | 173.9° |
| HN94 | N94 | C93 | H932 | 165.3° | 53.9° |
| C92 | C93 | H931 | H932 | 119.9° | 120.0° |
| C93 | C92 | C91 | H921 | 119.2° | 120.0° |
| C93 | C92 | C91 | H922 | 120.0° | 120.1° |
| C93 | C92 | H921 | H922 | 119.4° | 120.0° |
| C93 | C92 | C91 | N9 | 65.4° | 180.0° |
| C93 | C92 | C91 | H911 | 174.6° | 60.1° |
| C93 | C92 | C91 | H912 | 54.6° | 60.0° |
| H931 | C93 | C92 | C91 | 33.3° | 60.1° |
| H931 | C93 | C92 | H921 | 85.9° | 180.0° |
| H931 | C93 | C92 | H922 | 153.3° | 60.0° |
| H932 | C93 | C92 | C91 | 153.3° | 60.0° |
| H932 | C93 | C92 | H921 | 34.2° | 60.0° |
| H932 | C93 | C92 | H922 | 86.6° | 180.0° |
| C91 | C92 | H921 | H922 | 119.5° | 119.9° |
| C92 | C91 | N9 | H911 | 120.1° | 119.9° |
| C92 | C91 | N9 | H912 | 120.0° | 120.0° |
| C92 | C91 | H911 | H912 | 120.0° | 120.0° |
| C92 | C91 | N9 | C4 | 118.9° | 84.9° |
| C92 | C91 | N9 | C8 | 97.2° | 95.5° |
| H921 | C92 | C91 | N9 | 53.8° | 60.0° |
| H921 | C92 | C91 | H911 | 66.3° | 179.9° |
| H921 | C92 | C91 | H912 | 173.8° | 60.0° |
| H922 | C92 | C91 | N9 | 174.6° | 60.0° |
| H922 | C92 | C91 | H911 | 54.5° | 60.0° |
| H922 | C92 | C91 | H912 | 65.4° | 179.9° |
| N9 | C91 | H911 | H912 | 120.0° | 120.0° |
| C91 | N9 | C4 | C8 | 148.4° | 179.7° |
| C91 | N9 | C4 | N3 | 33.4° | 0.7° |
| C91 | N9 | C4 | C5 | 167.3° | 179.9° |
| C91 | N9 | C8 | N7 | 169.9° | 180.0° |
| C91 | N9 | C8 | C81 | 19.7° | 0.1° |
| H911 | C91 | N9 | C4 | 121.0° | 155.2° |
| H911 | C91 | N9 | C8 | 22.8° | 24.5° |
| H912 | C91 | N9 | C4 | 1.1° | 35.1° |
| H912 | C91 | N9 | C8 | 142.8° | 144.5° |
| N9 | C4 | N3 | C5 | 157.0° | 179.1° |
| N9 | C4 | N3 | C2 | 163.6° | 179.7° |
| N9 | C4 | C5 | C6 | 160.7° | 179.9° |
| N9 | C4 | C5 | N7 | 9.2° | 0.3° |
| C4 | N9 | C8 | N7 | 21.8° | 0.3° |
| C4 | N9 | C8 | C81 | 167.8° | 179.8° |
| C8 | N9 | C4 | N3 | 178.2° | 179.6° |
| C8 | N9 | C4 | C5 | 18.9° | 0.4° |
| N9 | C8 | N7 | C5 | 15.7° | 0.0° |
| N9 | C8 | N7 | C81 | 170.3° | 180.0° |
| N9 | C8 | C81 | C1' | 83.6° | 95.8° |
| N9 | C8 | C81 | H811 | 156.6° | 24.1° |
| N9 | C8 | C81 | H812 | 36.4° | 144.2° |
| C4 | N3 | C2 | F2 | 171.3° | 179.7° |
| C4 | N3 | C2 | N1 | 6.9° | 0.3° |
| N3 | C4 | C5 | C6 | 1.7° | 0.5° |
| N3 | C4 | C5 | N7 | 171.6° | 179.7° |
| C5 | C4 | N3 | C2 | 6.5° | 0.5° |
| C4 | C5 | C6 | N1 | 9.6° | 0.3° |
| C4 | C5 | C6 | N6 | 177.0° | 179.8° |
| C4 | C5 | C6 | N7 | 166.6° | 179.7° |
| C4 | C5 | N7 | C8 | 4.0° | 0.2° |
| N3 | C2 | F2 | N1 | 178.2° | 180.0° |
| N3 | C2 | N1 | C6 | 1.3° | 0.1° |
| F2 | C2 | N1 | C6 | 179.5° | 179.9° |
| C2 | N1 | C6 | N6 | 177.1° | 180.0° |
| C2 | N1 | C6 | C5 | 9.5° | 0.0° |
| N1 | C6 | N6 | C5 | 167.4° | 180.0° |
| N1 | C6 | N6 | HN61 | 124.9° | 180.0° |
| N1 | C6 | N6 | HN62 | 4.9° | 0.1° |
| N1 | C6 | C5 | N7 | 176.2° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| N6 | C6 | C5 | N7 | 16.3° | 0.0° |
| C5 | C6 | N6 | HN61 | 42.5° | 0.0° |
| C5 | C6 | N6 | HN62 | 162.5° | 180.0° |
| C6 | C5 | N7 | C8 | 171.7° | 180.0° |
| C5 | N7 | C8 | C81 | 173.9° | 180.0° |
| N7 | C8 | C81 | C1' | 107.8° | 84.2° |
| N7 | C8 | C81 | H811 | 12.0° | 155.9° |
| N7 | C8 | C81 | H812 | 132.2° | 35.8° |
| C8 | C81 | C1' | H811 | 119.8° | 120.0° |
| C8 | C81 | C1' | H812 | 120.0° | 120.0° |
| C8 | C81 | H811 | H812 | 119.9° | 120.0° |
| C8 | C81 | C1' | C6' | 44.5° | 96.2° |
| C8 | C81 | C1' | C2' | 138.1° | 84.1° |
| C1' | C81 | H811 | H812 | 119.9° | 120.0° |
| C81 | C1' | C6' | C2' | 177.6° | 179.7° |
| C81 | C1' | C6' | C5' | 174.4° | 179.9° |
| C81 | C1' | C6' | H6' | 5.6° | 0.0° |
| C81 | C1' | C2' | C3' | 180.0° | 179.7° |
| C81 | C1' | C2' | I | 7.1° | 0.2° |
| H811 | C81 | C1' | C6' | 75.4° | 23.8° |
| H811 | C81 | C1' | C2' | 102.1° | 155.9° |
| H812 | C81 | C1' | C6' | 164.4° | 143.9° |
| H812 | C81 | C1' | C2' | 18.1° | 35.9° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | O3' | 171.4° | 180.0° |
| C1' | C6' | C5' | C4' | 2.9° | 0.1° |
| C6' | C1' | C2' | C3' | 2.5° | 0.6° |
| C6' | C1' | C2' | I | 175.4° | 179.9° |
| C2' | C1' | C6' | C5' | 3.3° | 0.4° |
| C2' | C1' | C6' | H6' | 176.7° | 179.8° |
| C1' | C2' | C3' | C4' | 8.8° | 0.5° |
| C1' | C2' | C3' | I | 173.1° | 179.5° |
| C1' | C2' | C3' | H3' | 171.2° | 179.7° |
| C6' | C5' | O3' | C4' | 174.8° | 179.9° |
| C6' | C5' | O3' | C7' | 166.6° | 162.8° |
| C6' | C5' | C4' | O1' | 176.2° | 180.0° |
| C6' | C5' | C4' | C3' | 3.4° | 0.1° |
| H6' | C6' | C5' | O3' | 8.6° | 0.1° |
| H6' | C6' | C5' | C4' | 177.2° | 180.0° |
| C5' | O3' | C7' | O1' | 28.9° | 27.1° |
| C5' | O3' | C7' | H7'1 | 93.0° | 91.4° |
| C5' | O3' | C7' | H7'2 | 148.9° | 145.7° |
| O3' | C5' | C4' | O1' | 0.7° | 0.1° |
| O3' | C5' | C4' | C3' | 178.9° | 180.0° |
| C4' | C5' | O3' | C7' | 18.7° | 17.3° |
| C5' | C4' | O1' | C7' | 17.5° | 17.2° |
| C5' | C4' | O1' | C3' | 179.5° | 180.0° |
| C5' | C4' | C3' | C2' | 9.1° | 0.3° |
| C5' | C4' | C3' | H3' | 170.9° | 180.0° |
| O3' | C7' | O1' | H7'1 | 121.9° | 118.5° |
| O3' | C7' | O1' | H7'2 | 120.0° | 118.6° |
| O3' | C7' | H7'1 | H7'2 | 121.3° | 122.8° |
| O3' | C7' | O1' | C4' | 28.4° | 27.1° |
| O1' | C7' | H7'1 | H7'2 | 121.4° | 122.9° |
| C7' | O1' | C4' | C3' | 163.0° | 162.7° |
| H7'1 | C7' | O1' | C4' | 93.5° | 91.4° |
| H7'2 | C7' | O1' | C4' | 148.4° | 145.7° |
| O1' | C4' | C3' | C2' | 170.3° | 179.8° |
| O1' | C4' | C3' | H3' | 9.7° | 0.0° |
| C4' | C3' | C2' | H3' | 180.0° | 179.8° |
| C4' | C3' | C2' | I | 178.2° | 180.0° |
| H3' | C3' | C2' | I | 1.8° | 0.2° |
