H64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C97 | C95 | sing | 1.53Å | 1.53Å | |
| C97 | H971 | sing | 1.09Å | 1.10Å | |
| C97 | H972 | sing | 1.09Å | 1.10Å | |
| C97 | H973 | sing | 1.09Å | 1.10Å | |
| C95 | C96 | sing | 1.53Å | 1.53Å | |
| C95 | N94 | sing | 1.47Å | 1.47Å | |
| C95 | H95 | sing | 1.09Å | 1.10Å | |
| C96 | H961 | sing | 1.09Å | 1.10Å | |
| C96 | H962 | sing | 1.09Å | 1.10Å | |
| C96 | H963 | sing | 1.09Å | 1.10Å | |
| N94 | C93 | sing | 1.47Å | 1.47Å | |
| N94 | H94 | 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 | 1.38Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.33Å | |
| C6 | C5 | sing | 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 | 1.31Å | 1.33Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.75Å | |
| S | C1' | sing | 1.76Å | 1.75Å | |
| C1' | C6' | sing | 1.39Å | 1.39Å | Aromatic |
| C1' | C2' | doub | 1.39Å | 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' | C'2 | sing | 1.44Å | 1.43Å | |
| C'2 | O1' | sing | 1.44Å | 1.43Å | |
| C'2 | H'21 | sing | 1.09Å | 1.10Å | |
| C'2 | H'22 | sing | 1.09Å | 1.10Å | |
| O1' | C4' | sing | 1.37Å | 1.36Å | |
| C4' | C3' | doub | 1.39Å | 1.39Å | Aromatic |
| C3' | C2' | sing | 1.38Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C2' | BR | sing | 1.89Å | 1.89Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C95 | C97 | H971 | 109.4° | 109.4° |
| C95 | C97 | H972 | 109.4° | 109.5° |
| C95 | C97 | H973 | 109.5° | 109.5° |
| C97 | C95 | C96 | 111.1° | 109.5° |
| C97 | C95 | N94 | 110.2° | 109.4° |
| C97 | C95 | H95 | 107.8° | 109.4° |
| H971 | C97 | H972 | 109.5° | 109.5° |
| H971 | C97 | H973 | 109.5° | 109.5° |
| H972 | C97 | H973 | 109.5° | 109.5° |
| C96 | C95 | N94 | 109.3° | 109.5° |
| C96 | C95 | H95 | 108.7° | 109.5° |
| C95 | C96 | H961 | 109.5° | 109.5° |
| C95 | C96 | H962 | 109.5° | 109.5° |
| C95 | C96 | H963 | 109.5° | 109.5° |
| N94 | C95 | H95 | 109.6° | 109.5° |
| C95 | N94 | C93 | 109.8° | 106.7° |
| C95 | N94 | H94 | 109.4° | 106.7° |
| H961 | C96 | H962 | 109.4° | 109.4° |
| H961 | C96 | H963 | 109.5° | 109.5° |
| H962 | C96 | H963 | 109.5° | 109.4° |
| C93 | N94 | H94 | 109.4° | 106.7° |
| N94 | C93 | C92 | 110.1° | 109.5° |
| N94 | C93 | H931 | 109.1° | 109.4° |
| N94 | C93 | H932 | 109.2° | 109.5° |
| C92 | C93 | H931 | 109.1° | 109.5° |
| C92 | C93 | H932 | 109.3° | 109.5° |
| C93 | C92 | C91 | 109.8° | 109.5° |
| C93 | C92 | H921 | 109.3° | 109.5° |
| C93 | C92 | H922 | 109.4° | 109.5° |
| H931 | C93 | H932 | 110.0° | 109.5° |
| C91 | C92 | H921 | 109.3° | 109.5° |
| C91 | C92 | H922 | 109.4° | 109.5° |
| C92 | C91 | N9 | 110.7° | 109.5° |
| C92 | C91 | H911 | 108.8° | 109.4° |
| C92 | C91 | H912 | 109.0° | 109.5° |
| H921 | C92 | H922 | 109.7° | 109.4° |
| N9 | C91 | H911 | 108.8° | 109.5° |
| N9 | C91 | H912 | 109.1° | 109.5° |
| C91 | N9 | C4 | 125.1° | 126.3° |
| C91 | N9 | C8 | 126.2° | 126.3° |
| H911 | C91 | H912 | 110.5° | 109.5° |
| C4 | N9 | C8 | 108.6° | 107.4° |
| N9 | C4 | N3 | 133.7° | 134.8° |
| N9 | C4 | C5 | 106.2° | 106.2° |
| N9 | C8 | N7 | 109.9° | 109.7° |
| N9 | C8 | S | 125.1° | 125.1° |
| N3 | C4 | C5 | 120.1° | 119.1° |
| C4 | N3 | C2 | 120.6° | 120.7° |
| C4 | C5 | C6 | 117.6° | 118.2° |
| C4 | C5 | N7 | 108.3° | 107.3° |
| N3 | C2 | N1 | 121.1° | 122.4° |
| N3 | C2 | H2 | 119.5° | 118.8° |
| N1 | C2 | H2 | 119.5° | 118.7° |
| C2 | N1 | C6 | 121.5° | 121.1° |
| N1 | C6 | N6 | 120.2° | 120.7° |
| N1 | C6 | C5 | 119.2° | 118.5° |
| N6 | C6 | C5 | 120.6° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | C5 | N7 | 134.2° | 134.5° |
| HN61 | N6 | HN62 | 109.4° | 120.0° |
| C5 | N7 | C8 | 107.1° | 109.4° |
| N7 | C8 | S | 125.1° | 125.2° |
| C8 | S | C1' | 101.8° | 100.0° |
| S | C1' | C6' | 120.4° | 120.0° |
| S | C1' | C2' | 120.0° | 120.0° |
| C6' | C1' | C2' | 119.7° | 120.0° |
| C1' | C6' | C5' | 120.4° | 120.0° |
| C1' | C6' | H6' | 119.8° | 120.0° |
| C1' | C2' | C3' | 120.0° | 120.0° |
| C1' | C2' | BR | 120.5° | 119.9° |
| C5' | C6' | H6' | 119.8° | 120.0° |
| C6' | C5' | O3' | 132.5° | 131.5° |
| C6' | C5' | C4' | 119.8° | 119.9° |
| O3' | C5' | C4' | 107.7° | 108.6° |
| C5' | O3' | C'2 | 102.2° | 105.5° |
| C5' | C4' | O1' | 107.5° | 108.6° |
| C5' | C4' | C3' | 120.0° | 119.9° |
| O3' | C'2 | O1' | 101.2° | 103.7° |
| O3' | C'2 | H'21 | 114.0° | 110.6° |
| O3' | C'2 | H'22 | 112.3° | 110.6° |
| O1' | C'2 | H'21 | 114.0° | 110.6° |
| O1' | C'2 | H'22 | 112.3° | 110.5° |
| C'2 | O1' | C4' | 102.3° | 105.5° |
| H'21 | C'2 | H'22 | 103.3° | 110.6° |
| O1' | C4' | C3' | 132.5° | 131.4° |
| C4' | C3' | C2' | 120.2° | 120.2° |
| C4' | C3' | H3' | 119.9° | 119.9° |
| C2' | C3' | H3' | 119.9° | 119.9° |
| C3' | C2' | BR | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C95 | C97 | H971 | H972 | 120.0° | 120.0° |
| C95 | C97 | H971 | H973 | 120.0° | 120.0° |
| C95 | C97 | H972 | H973 | 120.0° | 120.0° |
| C97 | C95 | C96 | N94 | 121.8° | 120.0° |
| C97 | C95 | C96 | H95 | 118.5° | 120.0° |
| C97 | C95 | N94 | H95 | 118.5° | 119.9° |
| C97 | C95 | C96 | H961 | 132.9° | 60.0° |
| C97 | C95 | C96 | H962 | 107.1° | 180.0° |
| C97 | C95 | C96 | H963 | 12.9° | 60.0° |
| C97 | C95 | N94 | C93 | 81.0° | 85.0° |
| C97 | C95 | N94 | H94 | 39.0° | 161.2° |
| H971 | C97 | H972 | H973 | 120.0° | 120.0° |
| H971 | C97 | C95 | C96 | 54.2° | 60.0° |
| H971 | C97 | C95 | N94 | 67.2° | 60.0° |
| H971 | C97 | C95 | H95 | 173.2° | 180.0° |
| H972 | C97 | C95 | C96 | 65.8° | 60.0° |
| H972 | C97 | C95 | N94 | 172.9° | 180.0° |
| H972 | C97 | C95 | H95 | 53.2° | 60.0° |
| H973 | C97 | C95 | C96 | 174.1° | 180.0° |
| H973 | C97 | C95 | N94 | 52.8° | 60.0° |
| H973 | C97 | C95 | H95 | 66.8° | 60.0° |
| C96 | C95 | N94 | H95 | 119.1° | 120.1° |
| C95 | C96 | H961 | H962 | 120.0° | 120.0° |
| C95 | C96 | H961 | H963 | 120.0° | 120.1° |
| C95 | C96 | H962 | H963 | 120.0° | 120.0° |
| C96 | C95 | N94 | C93 | 156.6° | 155.0° |
| C96 | C95 | N94 | H94 | 83.4° | 41.2° |
| N94 | C95 | C96 | H961 | 11.1° | 59.9° |
| N94 | C95 | C96 | H962 | 131.1° | 60.0° |
| N94 | C95 | C96 | H963 | 108.9° | 180.0° |
| C95 | N94 | C93 | H94 | 120.0° | 113.8° |
| C95 | N94 | C93 | C92 | 166.2° | 180.0° |
| C95 | N94 | C93 | H931 | 74.0° | 60.0° |
| C95 | N94 | C93 | H932 | 46.2° | 60.0° |
| H95 | C95 | C96 | H961 | 108.6° | 180.0° |
| H95 | C95 | C96 | H962 | 11.4° | 60.0° |
| H95 | C95 | C96 | H963 | 131.4° | 60.0° |
| H95 | C95 | N94 | C93 | 37.5° | 34.9° |
| H95 | C95 | N94 | H94 | 157.5° | 78.8° |
| H961 | C96 | H962 | H963 | 120.0° | 119.9° |
| N94 | C93 | C92 | H931 | 119.7° | 120.0° |
| N94 | C93 | C92 | H932 | 120.0° | 120.0° |
| N94 | C93 | H931 | H932 | 119.8° | 120.0° |
| N94 | C93 | C92 | C91 | 172.0° | 180.0° |
| N94 | C93 | C92 | H921 | 52.2° | 60.0° |
| N94 | C93 | C92 | H922 | 68.0° | 60.0° |
| H94 | N94 | C93 | C92 | 73.8° | 66.2° |
| H94 | N94 | C93 | H931 | 46.0° | 173.8° |
| H94 | N94 | C93 | H932 | 166.2° | 53.8° |
| C92 | C93 | H931 | H932 | 119.9° | 120.0° |
| C93 | C92 | C91 | H921 | 119.9° | 120.0° |
| C93 | C92 | C91 | H922 | 120.0° | 120.0° |
| C93 | C92 | H921 | H922 | 119.9° | 120.0° |
| C93 | C92 | C91 | N9 | 172.8° | 180.0° |
| C93 | C92 | C91 | H911 | 67.8° | 60.0° |
| C93 | C92 | C91 | H912 | 52.8° | 60.0° |
| H931 | C93 | C92 | C91 | 68.3° | 60.0° |
| H931 | C93 | C92 | H921 | 171.9° | 179.9° |
| H931 | C93 | C92 | H922 | 51.8° | 60.0° |
| H932 | C93 | C92 | C91 | 52.1° | 60.0° |
| H932 | C93 | C92 | H921 | 67.8° | 60.0° |
| H932 | C93 | C92 | H922 | 172.1° | 180.0° |
| C91 | C92 | H921 | H922 | 119.9° | 120.0° |
| C92 | C91 | N9 | H911 | 119.5° | 120.0° |
| C92 | C91 | N9 | H912 | 120.0° | 120.0° |
| C92 | C91 | H911 | H912 | 119.7° | 120.0° |
| C92 | C91 | N9 | C4 | 88.0° | 90.3° |
| C92 | C91 | N9 | C8 | 94.2° | 90.0° |
| H921 | C92 | C91 | N9 | 52.9° | 60.0° |
| H921 | C92 | C91 | H911 | 172.4° | 180.0° |
| H921 | C92 | C91 | H912 | 67.1° | 60.0° |
| H922 | C92 | C91 | N9 | 67.2° | 60.0° |
| H922 | C92 | C91 | H911 | 52.2° | 60.0° |
| H922 | C92 | C91 | H912 | 172.8° | 180.0° |
| N9 | C91 | H911 | H912 | 119.7° | 120.0° |
| C91 | N9 | C4 | C8 | 178.1° | 179.8° |
| C91 | N9 | C4 | N3 | 1.7° | 0.7° |
| C91 | N9 | C4 | C5 | 178.0° | 179.9° |
| C91 | N9 | C8 | N7 | 178.1° | 179.9° |
| C91 | N9 | C8 | S | 0.1° | 0.0° |
| H911 | C91 | N9 | C4 | 152.5° | 149.8° |
| H911 | C91 | N9 | C8 | 25.3° | 30.0° |
| H912 | C91 | N9 | C4 | 31.9° | 29.7° |
| H912 | C91 | N9 | C8 | 145.8° | 150.0° |
| N9 | C4 | N3 | C5 | 179.7° | 179.1° |
| N9 | C4 | N3 | C2 | 179.5° | 179.6° |
| N9 | C4 | C5 | C6 | 179.6° | 179.8° |
| N9 | C4 | C5 | N7 | 0.1° | 0.3° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| C4 | N9 | C8 | S | 178.2° | 179.8° |
| C8 | N9 | C4 | N3 | 179.8° | 179.5° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | S | 178.2° | 180.0° |
| N9 | C8 | S | C1' | 68.7° | 174.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| C4 | N3 | C2 | H2 | 179.8° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.5° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.2° | 0.5° |
| C4 | C5 | C6 | N1 | 0.0° | 0.2° |
| C4 | C5 | C6 | N6 | 179.6° | 179.7° |
| C4 | C5 | C6 | N7 | 179.7° | 179.8° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| H2 | C2 | N1 | C6 | 180.0° | 180.0° |
| N1 | C6 | N6 | C5 | 179.6° | 179.9° |
| N1 | C6 | N6 | HN61 | 67.4° | 180.0° |
| N1 | C6 | N6 | HN62 | 52.6° | 0.1° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.7° | 0.0° |
| C5 | C6 | N6 | HN61 | 113.0° | 0.0° |
| C5 | C6 | N6 | HN62 | 127.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.6° | 180.0° |
| C5 | N7 | C8 | S | 178.1° | 180.0° |
| N7 | C8 | S | C1' | 109.2° | 5.2° |
| C8 | S | C1' | C6' | 28.9° | 103.7° |
| C8 | S | C1' | C2' | 151.6° | 76.1° |
| S | C1' | C6' | C2' | 179.6° | 179.8° |
| S | C1' | C6' | C5' | 179.8° | 180.0° |
| S | C1' | C6' | H6' | 0.2° | 0.0° |
| S | C1' | C2' | C3' | 179.7° | 179.8° |
| S | C1' | C2' | BR | 0.2° | 0.2° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | O3' | 179.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.1° | 0.1° |
| C6' | C1' | C2' | C3' | 0.1° | 0.4° |
| C6' | C1' | C2' | BR | 179.4° | 180.0° |
| C2' | C1' | C6' | C5' | 0.2° | 0.2° |
| C2' | C1' | C6' | H6' | 179.8° | 179.8° |
| C1' | C2' | C3' | C4' | 0.0° | 0.4° |
| C1' | C2' | C3' | BR | 179.5° | 179.6° |
| C1' | C2' | C3' | H3' | 180.0° | 179.7° |
| C6' | C5' | O3' | C4' | 178.9° | 179.9° |
| C6' | C5' | O3' | C'2 | 152.3° | 162.7° |
| C6' | C5' | C4' | O1' | 178.4° | 180.0° |
| C6' | C5' | C4' | C3' | 0.0° | 0.1° |
| H6' | C6' | C5' | O3' | 1.0° | 0.0° |
| H6' | C6' | C5' | C4' | 179.8° | 180.0° |
| C5' | O3' | C'2 | O1' | 41.4° | 27.2° |
| C5' | O3' | C'2 | H'21 | 164.3° | 91.4° |
| C5' | O3' | C'2 | H'22 | 78.6° | 145.7° |
| O3' | C5' | C4' | O1' | 0.7° | 0.0° |
| O3' | C5' | C4' | C3' | 179.1° | 180.0° |
| C4' | C5' | O3' | C'2 | 26.6° | 17.3° |
| C5' | C4' | O1' | C'2 | 25.5° | 17.3° |
| C5' | C4' | O1' | C3' | 178.1° | 179.9° |
| C5' | C4' | C3' | C2' | 0.1° | 0.2° |
| C5' | C4' | C3' | H3' | 179.9° | 180.0° |
| O3' | C'2 | O1' | H'21 | 122.9° | 118.6° |
| O3' | C'2 | O1' | H'22 | 120.0° | 118.6° |
| O3' | C'2 | H'21 | H'22 | 122.2° | 122.9° |
| O3' | C'2 | O1' | C4' | 41.0° | 27.2° |
| O1' | C'2 | H'21 | H'22 | 122.2° | 122.8° |
| C'2 | O1' | C4' | C3' | 152.6° | 162.7° |
| H'21 | C'2 | O1' | C4' | 163.9° | 91.4° |
| H'22 | C'2 | O1' | C4' | 79.0° | 145.8° |
| O1' | C4' | C3' | C2' | 178.0° | 179.8° |
| O1' | C4' | C3' | H3' | 2.0° | 0.1° |
| C4' | C3' | C2' | H3' | 180.0° | 179.9° |
| C4' | C3' | C2' | BR | 179.6° | 180.0° |
| H3' | C3' | C2' | BR | 0.4° | 0.2° |
