R64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.35Å | 1.37Å | Aromatic |
| O1 | C9 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C10 | sing | 1.47Å | 1.44Å | |
| C3 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C9 | doub | 1.41Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | O12 | sing | 1.36Å | 1.39Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C10 | O30 | doub | 1.22Å | 1.23Å | |
| C10 | C31 | sing | 1.47Å | 1.42Å | |
| C31 | N32 | sing | 1.37Å | 1.39Å | Aromatic |
| C31 | N35 | doub | 1.32Å | 1.32Å | Aromatic |
| N32 | C30 | sing | 1.46Å | 1.48Å | |
| N32 | C33 | sing | 1.36Å | 1.39Å | Aromatic |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | doub | 1.36Å | 1.36Å | Aromatic |
| C33 | HC33 | sing | 1.08Å | 1.10Å | |
| C34 | N35 | sing | 1.33Å | 1.33Å | Aromatic |
| C34 | HC34 | sing | 1.08Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.48Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| N16 | HN16 | sing | 1.01Å | 1.02Å | |
| C17 | C18 | sing | 1.51Å | 1.44Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | HC19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | HC20 | sing | 1.08Å | 1.10Å | |
| C21 | N22 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | HC21 | sing | 1.08Å | 1.10Å | |
| N22 | C23 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | HC23 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C9 | 105.6° | 109.8° |
| O1 | C2 | C3 | 110.1° | 109.4° |
| O1 | C2 | C10 | 119.2° | 125.3° |
| O1 | C9 | C4 | 110.5° | 107.5° |
| O1 | C9 | C8 | 128.9° | 133.0° |
| C3 | C2 | C10 | 130.7° | 125.3° |
| C2 | C3 | C4 | 107.5° | 106.9° |
| C2 | C3 | C11 | 130.7° | 126.6° |
| C2 | C10 | O30 | 122.3° | 120.0° |
| C2 | C10 | C31 | 117.7° | 120.0° |
| C4 | C3 | C11 | 121.8° | 126.5° |
| C3 | C4 | C5 | 132.1° | 133.8° |
| C3 | C4 | C9 | 106.1° | 106.4° |
| C3 | C11 | H111 | 130.7° | 109.5° |
| C3 | C11 | H112 | 104.8° | 109.5° |
| C3 | C11 | H113 | 104.8° | 109.5° |
| C5 | C4 | C9 | 121.8° | 119.9° |
| C4 | C5 | C6 | 117.2° | 119.5° |
| C4 | C5 | O12 | 121.2° | 120.2° |
| C4 | C9 | C8 | 120.7° | 119.5° |
| C6 | C5 | O12 | 121.6° | 120.3° |
| C5 | C6 | C7 | 120.4° | 120.3° |
| C5 | C6 | HC6 | 118.1° | 119.9° |
| C5 | O12 | C13 | 122.7° | 106.8° |
| C7 | C6 | HC6 | 121.5° | 119.8° |
| C6 | C7 | C8 | 121.4° | 120.8° |
| C6 | C7 | HC7 | 120.8° | 119.6° |
| C8 | C7 | HC7 | 117.8° | 119.7° |
| C7 | C8 | C9 | 118.1° | 120.1° |
| C7 | C8 | HC8 | 120.3° | 119.9° |
| C9 | C8 | HC8 | 121.5° | 119.9° |
| O30 | C10 | C31 | 120.0° | 120.0° |
| C10 | C31 | N32 | 121.5° | 125.9° |
| C10 | C31 | N35 | 127.7° | 125.8° |
| N32 | C31 | N35 | 110.8° | 108.3° |
| C31 | N32 | C30 | 130.3° | 126.5° |
| C31 | N32 | C33 | 104.9° | 107.0° |
| C31 | N35 | C34 | 107.3° | 109.2° |
| C30 | N32 | C33 | 124.8° | 126.5° |
| N32 | C30 | H301 | 130.3° | 109.5° |
| N32 | C30 | H302 | 105.0° | 109.5° |
| N32 | C30 | H303 | 105.0° | 109.5° |
| N32 | C33 | C34 | 106.7° | 107.1° |
| N32 | C33 | HC33 | 127.4° | 126.5° |
| H301 | C30 | H302 | 104.9° | 109.4° |
| H301 | C30 | H303 | 105.0° | 109.4° |
| H302 | C30 | H303 | 104.2° | 109.5° |
| C34 | C33 | HC33 | 125.9° | 126.4° |
| C33 | C34 | N35 | 110.3° | 108.4° |
| C33 | C34 | HC34 | 125.6° | 125.8° |
| N35 | C34 | HC34 | 124.1° | 125.8° |
| H111 | C11 | H112 | 104.9° | 109.4° |
| H111 | C11 | H113 | 104.8° | 109.4° |
| H112 | C11 | H113 | 104.2° | 109.5° |
| O12 | C13 | C14 | 109.6° | 109.5° |
| O12 | C13 | H131 | 112.1° | 109.5° |
| O12 | C13 | H132 | 112.2° | 109.5° |
| C14 | C13 | H131 | 112.2° | 109.5° |
| C14 | C13 | H132 | 112.2° | 109.5° |
| C13 | C14 | C15 | 106.4° | 109.5° |
| C13 | C14 | H141 | 113.4° | 109.5° |
| C13 | C14 | H142 | 113.4° | 109.4° |
| H131 | C13 | H132 | 98.3° | 109.4° |
| C15 | C14 | H141 | 113.3° | 109.5° |
| C15 | C14 | H142 | 113.3° | 109.5° |
| C14 | C15 | N16 | 113.3° | 109.5° |
| C14 | C15 | H151 | 110.9° | 109.5° |
| C14 | C15 | H152 | 110.8° | 109.5° |
| H141 | C14 | H142 | 97.2° | 109.5° |
| N16 | C15 | H151 | 110.8° | 109.4° |
| N16 | C15 | H152 | 110.8° | 109.5° |
| C15 | N16 | C17 | 105.2° | 106.7° |
| C15 | N16 | HN16 | 113.8° | 106.7° |
| H151 | C15 | H152 | 99.5° | 109.5° |
| C17 | N16 | HN16 | 113.8° | 106.6° |
| N16 | C17 | C18 | 108.8° | 109.5° |
| N16 | C17 | H171 | 112.5° | 109.4° |
| N16 | C17 | H172 | 112.5° | 109.5° |
| C18 | C17 | H171 | 112.5° | 109.4° |
| C18 | C17 | H172 | 112.5° | 109.5° |
| C17 | C18 | C19 | 122.0° | 120.5° |
| C17 | C18 | C23 | 117.9° | 120.4° |
| H171 | C17 | H172 | 97.9° | 109.5° |
| C19 | C18 | C23 | 120.1° | 119.1° |
| C18 | C19 | C20 | 118.2° | 118.4° |
| C18 | C19 | HC19 | 120.4° | 120.8° |
| C18 | C23 | N22 | 121.8° | 120.8° |
| C18 | C23 | HC23 | 120.1° | 119.6° |
| C20 | C19 | HC19 | 121.4° | 120.8° |
| C19 | C20 | C21 | 119.0° | 119.2° |
| C19 | C20 | HC20 | 120.2° | 120.4° |
| C21 | C20 | HC20 | 120.7° | 120.4° |
| C20 | C21 | N22 | 121.4° | 120.8° |
| C20 | C21 | HC21 | 121.8° | 119.6° |
| N22 | C21 | HC21 | 116.9° | 119.7° |
| C21 | N22 | C23 | 119.6° | 121.7° |
| N22 | C23 | HC23 | 118.1° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C10 | 178.7° | 179.8° |
| O1 | C2 | C3 | C4 | 1.2° | 0.3° |
| O1 | C2 | C3 | C11 | 179.8° | 179.8° |
| C2 | O1 | C9 | C4 | 5.1° | 0.0° |
| C2 | O1 | C9 | C8 | 174.4° | 180.0° |
| O1 | C2 | C10 | O30 | 157.2° | 180.0° |
| O1 | C2 | C10 | C31 | 23.6° | 0.0° |
| C9 | O1 | C2 | C3 | 2.3° | 0.2° |
| C9 | O1 | C2 | C10 | 178.8° | 180.0° |
| O1 | C9 | C4 | C3 | 5.8° | 0.2° |
| O1 | C9 | C4 | C5 | 173.8° | 179.9° |
| O1 | C9 | C4 | C8 | 179.5° | 180.0° |
| O1 | C9 | C8 | C7 | 176.1° | 179.9° |
| O1 | C9 | C8 | HC8 | 3.9° | 0.0° |
| C2 | C3 | C4 | C11 | 179.1° | 179.9° |
| C2 | C3 | C4 | C5 | 175.3° | 179.8° |
| C2 | C3 | C4 | C9 | 4.2° | 0.3° |
| C3 | C2 | C10 | O30 | 24.2° | 0.2° |
| C3 | C2 | C10 | C31 | 155.0° | 179.8° |
| C2 | C3 | C11 | H111 | 180.0° | 90.2° |
| C2 | C3 | C11 | H112 | 54.7° | 29.8° |
| C2 | C3 | C11 | H113 | 54.8° | 149.9° |
| C10 | C2 | C3 | C4 | 177.5° | 179.9° |
| C10 | C2 | C3 | C11 | 1.5° | 0.0° |
| C2 | C10 | O30 | C31 | 179.2° | 180.0° |
| C2 | C10 | C31 | N32 | 163.9° | 179.5° |
| C2 | C10 | C31 | N35 | 18.7° | 0.1° |
| C3 | C4 | C5 | C9 | 179.5° | 179.9° |
| C3 | C4 | C5 | C6 | 175.2° | 179.8° |
| C3 | C4 | C5 | O12 | 4.7° | 0.2° |
| C3 | C4 | C9 | C8 | 173.7° | 179.8° |
| C4 | C3 | C11 | H111 | 1.1° | 90.0° |
| C4 | C3 | C11 | H112 | 126.4° | 150.1° |
| C4 | C3 | C11 | H113 | 124.1° | 30.0° |
| C11 | C3 | C4 | C5 | 3.7° | 0.1° |
| C11 | C3 | C4 | C9 | 176.7° | 179.8° |
| C3 | C11 | H111 | H112 | 125.3° | 120.0° |
| C3 | C11 | H111 | H113 | 125.2° | 120.0° |
| C3 | C11 | H112 | H113 | 109.9° | 120.1° |
| C4 | C5 | C6 | O12 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 1.9° | 0.1° |
| C4 | C5 | C6 | HC6 | 178.1° | 180.0° |
| C5 | C4 | C9 | C8 | 6.7° | 0.1° |
| C4 | C5 | O12 | C13 | 165.9° | 180.0° |
| C9 | C4 | C5 | C6 | 5.3° | 0.1° |
| C9 | C4 | C5 | O12 | 174.9° | 179.9° |
| C4 | C9 | C8 | C7 | 4.5° | 0.1° |
| C4 | C9 | C8 | HC8 | 175.6° | 180.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | HC7 | 180.0° | 180.0° |
| C6 | C5 | O12 | C13 | 14.2° | 0.0° |
| O12 | C5 | C6 | C7 | 178.2° | 179.9° |
| O12 | C5 | C6 | HC6 | 1.8° | 0.1° |
| C5 | O12 | C13 | C14 | 179.5° | 180.0° |
| C5 | O12 | C13 | H131 | 55.3° | 59.9° |
| C5 | O12 | C13 | H132 | 54.2° | 60.0° |
| C6 | C7 | C8 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.2° | 0.1° |
| C6 | C7 | C8 | HC8 | 178.9° | 180.0° |
| HC6 | C6 | C7 | C8 | 180.0° | 180.0° |
| HC6 | C6 | C7 | HC7 | 0.0° | 0.2° |
| C7 | C8 | C9 | HC8 | 180.0° | 179.9° |
| HC7 | C7 | C8 | C9 | 178.8° | 180.0° |
| HC7 | C7 | C8 | HC8 | 1.2° | 0.1° |
| O30 | C10 | C31 | N32 | 16.9° | 0.5° |
| O30 | C10 | C31 | N35 | 160.5° | 179.9° |
| C10 | C31 | N32 | N35 | 177.9° | 179.6° |
| C10 | C31 | N32 | C30 | 3.8° | 0.2° |
| C10 | C31 | N32 | C33 | 177.5° | 180.0° |
| C10 | C31 | N35 | C34 | 177.4° | 180.0° |
| C31 | N32 | C30 | C33 | 178.4° | 179.7° |
| C31 | N32 | C30 | H301 | 179.9° | 90.3° |
| C31 | N32 | C30 | H302 | 54.8° | 29.7° |
| C31 | N32 | C30 | H303 | 54.7° | 149.8° |
| C31 | N32 | C33 | C34 | 0.2° | 0.2° |
| C31 | N32 | C33 | HC33 | 179.7° | 179.7° |
| N32 | C31 | N35 | C34 | 0.3° | 0.4° |
| N35 | C31 | N32 | C30 | 178.3° | 179.9° |
| N35 | C31 | N32 | C33 | 0.3° | 0.4° |
| C31 | N35 | C34 | C33 | 0.1° | 0.3° |
| C31 | N35 | C34 | HC34 | 179.8° | 179.8° |
| N32 | C30 | H301 | H302 | 125.2° | 120.0° |
| N32 | C30 | H301 | H303 | 125.3° | 120.0° |
| N32 | C30 | H302 | H303 | 110.1° | 120.0° |
| C30 | N32 | C33 | C34 | 178.5° | 180.0° |
| C30 | N32 | C33 | HC33 | 1.5° | 0.1° |
| C33 | N32 | C30 | H301 | 1.6° | 90.0° |
| C33 | N32 | C30 | H302 | 126.8° | 150.0° |
| C33 | N32 | C30 | H303 | 123.7° | 30.0° |
| N32 | C33 | C34 | HC33 | 179.9° | 179.9° |
| N32 | C33 | C34 | N35 | 0.1° | 0.0° |
| N32 | C33 | C34 | HC34 | 180.0° | 180.0° |
| H301 | C30 | H302 | H303 | 110.1° | 119.9° |
| C33 | C34 | N35 | HC34 | 180.0° | 179.9° |
| HC33 | C33 | C34 | N35 | 179.9° | 180.0° |
| HC33 | C33 | C34 | HC34 | 0.1° | 0.1° |
| H111 | C11 | H112 | H113 | 109.9° | 119.9° |
| O12 | C13 | C14 | H131 | 125.2° | 120.1° |
| O12 | C13 | C14 | H132 | 125.3° | 120.0° |
| O12 | C13 | H131 | H132 | 118.1° | 120.0° |
| O12 | C13 | C14 | C15 | 66.0° | 180.0° |
| O12 | C13 | C14 | H141 | 168.8° | 60.0° |
| O12 | C13 | C14 | H142 | 59.2° | 60.1° |
| C14 | C13 | H131 | H132 | 118.1° | 119.9° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 119.9° |
| C13 | C14 | H141 | H142 | 119.3° | 119.9° |
| C13 | C14 | C15 | N16 | 171.1° | 180.0° |
| C13 | C14 | C15 | H151 | 45.8° | 60.0° |
| C13 | C14 | C15 | H152 | 63.7° | 60.0° |
| H131 | C13 | C14 | C15 | 59.2° | 59.9° |
| H131 | C13 | C14 | H141 | 66.0° | 180.0° |
| H131 | C13 | C14 | H142 | 175.6° | 60.0° |
| H132 | C13 | C14 | C15 | 168.7° | 60.0° |
| H132 | C13 | C14 | H141 | 43.5° | 60.1° |
| H132 | C13 | C14 | H142 | 66.1° | 179.9° |
| C15 | C14 | H141 | H142 | 119.3° | 120.1° |
| C14 | C15 | N16 | H151 | 125.3° | 120.0° |
| C14 | C15 | N16 | H152 | 125.3° | 120.1° |
| C14 | C15 | H151 | H152 | 116.7° | 120.1° |
| C14 | C15 | N16 | C17 | 177.6° | 180.0° |
| C14 | C15 | N16 | HN16 | 57.2° | 66.2° |
| H141 | C14 | C15 | N16 | 63.7° | 60.0° |
| H141 | C14 | C15 | H151 | 171.0° | 180.0° |
| H141 | C14 | C15 | H152 | 61.6° | 60.0° |
| H142 | C14 | C15 | N16 | 45.8° | 60.1° |
| H142 | C14 | C15 | H151 | 79.5° | 59.9° |
| H142 | C14 | C15 | H152 | 171.0° | 179.9° |
| N16 | C15 | H151 | H152 | 116.6° | 120.0° |
| C15 | N16 | C17 | HN16 | 125.2° | 113.7° |
| C15 | N16 | C17 | C18 | 172.1° | 180.0° |
| C15 | N16 | C17 | H171 | 62.6° | 60.1° |
| C15 | N16 | C17 | H172 | 46.8° | 59.9° |
| H151 | C15 | N16 | C17 | 57.1° | 60.0° |
| H151 | C15 | N16 | HN16 | 68.1° | 173.8° |
| H152 | C15 | N16 | C17 | 52.3° | 59.9° |
| H152 | C15 | N16 | HN16 | 177.5° | 53.8° |
| N16 | C17 | C18 | H171 | 125.3° | 119.9° |
| N16 | C17 | C18 | H172 | 125.3° | 120.1° |
| N16 | C17 | H171 | H172 | 118.4° | 120.0° |
| N16 | C17 | C18 | C19 | 106.8° | 90.0° |
| N16 | C17 | C18 | C23 | 73.2° | 90.3° |
| HN16 | N16 | C17 | C18 | 62.6° | 66.3° |
| HN16 | N16 | C17 | H171 | 62.7° | 173.8° |
| HN16 | N16 | C17 | H172 | 172.1° | 53.8° |
| C18 | C17 | H171 | H172 | 118.4° | 120.0° |
| C17 | C18 | C19 | C23 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C19 | HC19 | 0.2° | 0.1° |
| C17 | C18 | C23 | N22 | 179.9° | 179.7° |
| C17 | C18 | C23 | HC23 | 0.1° | 0.2° |
| H171 | C17 | C18 | C19 | 127.9° | 29.9° |
| H171 | C17 | C18 | C23 | 52.1° | 149.8° |
| H172 | C17 | C18 | C19 | 18.5° | 150.0° |
| H172 | C17 | C18 | C23 | 161.5° | 29.8° |
| C18 | C19 | C20 | HC19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C18 | C19 | C20 | HC20 | 179.7° | 180.0° |
| C19 | C18 | C23 | N22 | 0.1° | 0.6° |
| C19 | C18 | C23 | HC23 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.2° | 0.3° |
| C23 | C18 | C19 | HC19 | 179.8° | 179.8° |
| C18 | C23 | N22 | C21 | 0.1° | 0.6° |
| C18 | C23 | N22 | HC23 | 180.0° | 179.5° |
| C19 | C20 | C21 | HC20 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 0.3° | 0.0° |
| C19 | C20 | C21 | HC21 | 179.7° | 180.0° |
| HC19 | C19 | C20 | C21 | 179.7° | 179.9° |
| HC19 | C19 | C20 | HC20 | 0.3° | 0.1° |
| C20 | C21 | N22 | HC21 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 0.2° | 0.3° |
| HC20 | C20 | C21 | N22 | 179.7° | 180.0° |
| HC20 | C20 | C21 | HC21 | 0.3° | 0.0° |
| C21 | N22 | C23 | HC23 | 179.9° | 180.0° |
| HC21 | C21 | N22 | C23 | 179.8° | 179.7° |
