A1BDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C62 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C61 | doub | 1.41Å | 1.44Å | Aromatic |
| C61 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C1A | sing | 1.41Å | 1.42Å | Aromatic |
| C61 | C1A | sing | 1.43Å | 1.41Å | Aromatic |
| C1A | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | C1B | sing | 1.40Å | 1.38Å | Aromatic |
| C1B | C51 | doub | 1.42Å | 1.41Å | Aromatic |
| C6 | C51 | sing | 1.36Å | 1.38Å | Aromatic |
| C51 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| C3 | C2 | doub | 1.37Å | 1.37Å | |
| C2 | C1 | sing | 1.47Å | 1.46Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | C1C | sing | 1.51Å | 1.52Å | |
| C41 | C1C | sing | 1.54Å | 1.53Å | |
| C1C | C12 | sing | 1.51Å | 1.53Å | |
| C1B | C12 | sing | 1.47Å | 1.47Å | |
| C12 | O12 | doub | 1.21Å | 1.22Å | |
| C1C | O1C | sing | 1.43Å | 1.38Å | |
| C2 | C21 | sing | 1.47Å | 1.48Å | |
| C21 | O21 | doub | 1.22Å | 1.24Å | |
| C21 | N21 | sing | 1.35Å | 1.37Å | |
| C3 | O3 | sing | 1.34Å | 1.33Å | |
| C4 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C43 | sing | 1.47Å | 1.48Å | |
| N4 | C42 | sing | 1.47Å | 1.48Å | |
| C11 | O11 | sing | 1.35Å | 1.35Å | |
| C10 | O10 | sing | 1.36Å | 1.36Å | |
| O10 | C13 | sing | 1.35Å | 1.39Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.62Å | |
| C15 | N20 | sing | 1.32Å | 1.39Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.37Å | Aromatic |
| C15 | N16 | doub | 1.32Å | 1.37Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | O14 | doub | 1.21Å | 1.21Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C17 | H191 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H171 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H431 | sing | 1.09Å | 1.10Å | |
| C42 | H432 | sing | 1.09Å | 1.10Å | |
| C42 | H433 | sing | 1.09Å | 1.10Å | |
| C43 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H423 | sing | 1.09Å | 1.10Å | |
| C43 | H421 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C62 | H623 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O1C | H1C | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C62 | C6 | C61 | 118.8° | 119.7° |
| C62 | C6 | C51 | 121.7° | 119.6° |
| C6 | C62 | H622 | 109.5° | 109.5° |
| C6 | C62 | H623 | 109.4° | 109.5° |
| C6 | C62 | H621 | 109.5° | 109.5° |
| C6 | C61 | C7 | 122.9° | 120.9° |
| C6 | C61 | C1A | 119.3° | 119.8° |
| C61 | C6 | C51 | 119.5° | 120.7° |
| C61 | C7 | C8 | 121.4° | 120.0° |
| C7 | C61 | C1A | 117.8° | 119.3° |
| C61 | C7 | H7 | 119.3° | 119.9° |
| C7 | C8 | C9 | 121.0° | 121.1° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C7 | C8 | H8 | 119.5° | 119.4° |
| C8 | C9 | C10 | 119.3° | 121.1° |
| C9 | C8 | H8 | 119.5° | 119.5° |
| C8 | C9 | H9 | 120.3° | 119.6° |
| C9 | C10 | C1A | 120.8° | 119.0° |
| C9 | C10 | O10 | 116.6° | 120.7° |
| C10 | C9 | H9 | 120.4° | 119.3° |
| C10 | C1A | C61 | 119.8° | 119.5° |
| C10 | C1A | C11 | 121.1° | 121.1° |
| C1A | C10 | O10 | 122.5° | 120.3° |
| C61 | C1A | C11 | 119.1° | 119.4° |
| C1A | C11 | C1B | 121.5° | 119.3° |
| C1A | C11 | O11 | 115.7° | 120.4° |
| C11 | C1B | C51 | 119.5° | 120.8° |
| C11 | C1B | C12 | 118.7° | 119.5° |
| C1B | C11 | O11 | 122.8° | 120.4° |
| C1B | C51 | C6 | 121.1° | 120.1° |
| C1B | C51 | C5 | 115.6° | 121.5° |
| C51 | C1B | C12 | 121.8° | 119.8° |
| C6 | C51 | C5 | 123.3° | 118.4° |
| C51 | C5 | C41 | 110.8° | 110.9° |
| C51 | C5 | H5C1 | 109.1° | 109.2° |
| C51 | C5 | H5C2 | 109.1° | 109.1° |
| C5 | C41 | C4 | 109.7° | 109.4° |
| C5 | C41 | C1C | 107.9° | 108.6° |
| C41 | C5 | H5C1 | 109.1° | 109.2° |
| C41 | C5 | H5C2 | 109.1° | 109.2° |
| C5 | C41 | H41 | 107.8° | 109.7° |
| C41 | C4 | C3 | 113.5° | 111.2° |
| C4 | C41 | C1C | 115.8° | 108.8° |
| C41 | C4 | N4 | 109.9° | 109.1° |
| C41 | C4 | H4 | 105.9° | 109.1° |
| C4 | C41 | H41 | 107.6° | 109.7° |
| C4 | C3 | C2 | 123.1° | 122.6° |
| C4 | C3 | O3 | 110.2° | 118.7° |
| C3 | C4 | N4 | 114.0° | 109.1° |
| C3 | C4 | H4 | 106.2° | 109.2° |
| C3 | C2 | C1 | 117.4° | 120.0° |
| C3 | C2 | C21 | 121.3° | 120.0° |
| C2 | C3 | O3 | 116.4° | 118.7° |
| C2 | C1 | O1 | 125.6° | 121.1° |
| C2 | C1 | C1C | 114.5° | 117.8° |
| C1 | C2 | C21 | 121.3° | 120.0° |
| O1 | C1 | C1C | 119.8° | 121.1° |
| C1 | C1C | C41 | 107.9° | 107.2° |
| C1 | C1C | C12 | 115.9° | 108.9° |
| C1 | C1C | O1C | 105.7° | 110.9° |
| C41 | C1C | C12 | 111.6° | 107.2° |
| C41 | C1C | O1C | 110.5° | 111.6° |
| C1C | C41 | H41 | 107.8° | 110.6° |
| C1C | C12 | C1B | 118.4° | 117.5° |
| C1C | C12 | O12 | 118.5° | 121.2° |
| C12 | C1C | O1C | 105.0° | 110.9° |
| C1B | C12 | O12 | 123.0° | 121.3° |
| C1C | O1C | H1C | 109.5° | 114.0° |
| C2 | C21 | O21 | 122.0° | 119.9° |
| C2 | C21 | N21 | 116.9° | 120.1° |
| O21 | C21 | N21 | 121.0° | 120.0° |
| C21 | N21 | H211 | 120.0° | 120.0° |
| C21 | N21 | H212 | 120.0° | 120.0° |
| C3 | O3 | H3 | 109.5° | 117.0° |
| C4 | N4 | C43 | 120.3° | 111.0° |
| C4 | N4 | C42 | 115.9° | 111.0° |
| N4 | C4 | H4 | 106.6° | 109.1° |
| C43 | N4 | C42 | 111.9° | 111.0° |
| N4 | C43 | H422 | 109.5° | 109.5° |
| N4 | C43 | H423 | 109.5° | 109.5° |
| N4 | C43 | H421 | 109.5° | 109.5° |
| N4 | C42 | H431 | 109.5° | 109.5° |
| N4 | C42 | H432 | 109.5° | 109.5° |
| N4 | C42 | H433 | 109.5° | 109.4° |
| C11 | O11 | H11 | 109.5° | 114.0° |
| C10 | O10 | C13 | 128.5° | 117.0° |
| O10 | C13 | C15 | 125.5° | 120.0° |
| O10 | C13 | O14 | 113.9° | 120.0° |
| C17 | C18 | C19 | 115.1° | 118.5° |
| C18 | C17 | N16 | 123.2° | 119.1° |
| C18 | C17 | H191 | 118.4° | 120.4° |
| C17 | C18 | H181 | 122.4° | 120.8° |
| C18 | C19 | N20 | 123.6° | 119.1° |
| C19 | C18 | H181 | 122.4° | 120.7° |
| C18 | C19 | H171 | 118.2° | 120.4° |
| C13 | C15 | N20 | 118.8° | 119.2° |
| C13 | C15 | N16 | 119.1° | 119.2° |
| C15 | C13 | O14 | 120.6° | 120.0° |
| C15 | N20 | C19 | 117.6° | 120.8° |
| N20 | C15 | N16 | 122.1° | 121.6° |
| N20 | C19 | H171 | 118.2° | 120.5° |
| C15 | N16 | C17 | 118.4° | 120.8° |
| N16 | C17 | H191 | 118.4° | 120.5° |
| H5C1 | C5 | H5C2 | 109.5° | 109.2° |
| H431 | C42 | H432 | 109.5° | 109.5° |
| H431 | C42 | H433 | 109.5° | 109.4° |
| H432 | C42 | H433 | 109.5° | 109.5° |
| H422 | C43 | H423 | 109.5° | 109.5° |
| H422 | C43 | H421 | 109.4° | 109.5° |
| H423 | C43 | H421 | 109.5° | 109.5° |
| H622 | C62 | H623 | 109.5° | 109.4° |
| H622 | C62 | H621 | 109.5° | 109.4° |
| H623 | C62 | H621 | 109.5° | 109.4° |
| H211 | N21 | H212 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C62 | C6 | C61 | C51 | 179.6° | 180.0° |
| C62 | C6 | C61 | C7 | 0.1° | 0.2° |
| C62 | C6 | C61 | C1A | 180.0° | 179.8° |
| C62 | C6 | C51 | C1B | 179.6° | 179.6° |
| C62 | C6 | C51 | C5 | 1.1° | 0.6° |
| C6 | C62 | H622 | H623 | 120.0° | 120.0° |
| C6 | C62 | H622 | H621 | 120.0° | 120.0° |
| C6 | C62 | H623 | H621 | 120.0° | 120.0° |
| C6 | C61 | C7 | C1A | 179.9° | 180.0° |
| C6 | C61 | C7 | C8 | 180.0° | 179.6° |
| C6 | C61 | C1A | C10 | 179.9° | 179.4° |
| C6 | C61 | C1A | C11 | 0.0° | 0.6° |
| C61 | C6 | C51 | C1B | 0.8° | 0.4° |
| C61 | C6 | C51 | C5 | 179.3° | 179.4° |
| C61 | C6 | C62 | H622 | 89.8° | 90.0° |
| C61 | C6 | C62 | H623 | 150.2° | 150.0° |
| C61 | C6 | C62 | H621 | 30.2° | 30.0° |
| C6 | C61 | C7 | H7 | 0.0° | 0.5° |
| C61 | C7 | C8 | H7 | 180.0° | 179.9° |
| C61 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C61 | C1A | C10 | 0.2° | 0.6° |
| C7 | C61 | C1A | C11 | 179.9° | 179.4° |
| C7 | C61 | C6 | C51 | 179.7° | 179.8° |
| C61 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C61 | C1A | 0.2° | 0.4° |
| C7 | C8 | C9 | H9 | 179.9° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C1A | 0.2° | 0.0° |
| C8 | C9 | C10 | O10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C9 | C10 | C1A | O10 | 179.8° | 179.9° |
| C9 | C10 | C1A | C61 | 0.2° | 0.4° |
| C9 | C10 | C1A | C11 | 179.9° | 179.6° |
| C9 | C10 | O10 | C13 | 36.9° | 92.6° |
| C10 | C9 | C8 | H8 | 179.9° | 179.9° |
| C10 | C1A | C61 | C11 | 180.0° | 180.0° |
| C10 | C1A | C11 | C1B | 179.9° | 179.7° |
| C10 | C1A | C11 | O11 | 0.2° | 0.4° |
| C1A | C10 | O10 | C13 | 143.3° | 87.3° |
| C1A | C10 | C9 | H9 | 179.9° | 180.0° |
| C61 | C1A | C11 | C1B | 0.0° | 0.4° |
| C1A | C61 | C6 | C51 | 0.4° | 0.2° |
| C61 | C1A | C11 | O11 | 179.7° | 179.6° |
| C61 | C1A | C10 | O10 | 180.0° | 179.7° |
| C1A | C61 | C7 | H7 | 179.8° | 179.5° |
| C1A | C11 | C1B | O11 | 179.7° | 179.9° |
| C1A | C11 | C1B | C51 | 0.4° | 0.3° |
| C1A | C11 | C1B | C12 | 179.8° | 179.8° |
| C11 | C1A | C10 | O10 | 0.1° | 0.4° |
| C1A | C11 | O11 | H11 | 172.8° | 89.9° |
| C11 | C1B | C51 | C12 | 179.4° | 179.9° |
| C11 | C1B | C51 | C6 | 0.8° | 0.7° |
| C11 | C1B | C51 | C5 | 179.4° | 179.1° |
| C11 | C1B | C12 | C1C | 162.0° | 167.8° |
| C11 | C1B | C12 | O12 | 17.8° | 12.1° |
| C1B | C11 | O11 | H11 | 6.9° | 90.0° |
| C1B | C51 | C6 | C5 | 178.5° | 179.8° |
| C1B | C51 | C5 | C41 | 41.7° | 23.2° |
| C51 | C1B | C12 | C1C | 18.6° | 12.1° |
| C51 | C1B | C12 | O12 | 161.6° | 168.0° |
| C51 | C1B | C11 | O11 | 179.3° | 179.8° |
| C1B | C51 | C5 | H5C1 | 161.9° | 143.6° |
| C1B | C51 | C5 | H5C2 | 78.5° | 97.1° |
| C6 | C51 | C5 | C41 | 136.9° | 156.9° |
| C6 | C51 | C1B | C12 | 179.8° | 179.4° |
| C6 | C51 | C5 | H5C1 | 16.7° | 36.5° |
| C6 | C51 | C5 | H5C2 | 102.9° | 82.8° |
| C51 | C6 | C62 | H622 | 89.8° | 90.0° |
| C51 | C6 | C62 | H623 | 30.2° | 30.0° |
| C51 | C6 | C62 | H621 | 150.2° | 150.0° |
| C51 | C5 | C41 | H5C1 | 120.2° | 120.4° |
| C51 | C5 | C41 | H5C2 | 120.2° | 120.3° |
| C51 | C5 | C41 | C4 | 165.9° | 63.0° |
| C51 | C5 | C41 | C1C | 67.1° | 55.7° |
| C5 | C51 | C1B | C12 | 1.2° | 0.8° |
| C51 | C5 | H5C1 | H5C2 | 119.4° | 119.3° |
| C51 | C5 | C41 | H41 | 49.1° | 176.7° |
| C5 | C41 | C4 | C1C | 122.4° | 118.5° |
| C5 | C41 | C4 | H41 | 117.0° | 120.3° |
| C5 | C41 | C4 | C3 | 116.6° | 172.4° |
| C5 | C41 | C1C | C1 | 80.1° | 177.4° |
| C5 | C41 | C1C | H41 | 116.1° | 120.4° |
| C5 | C41 | C1C | C12 | 48.4° | 65.8° |
| C5 | C41 | C1C | O1C | 164.8° | 55.9° |
| C5 | C41 | C4 | N4 | 114.3° | 67.2° |
| C5 | C41 | C4 | H4 | 0.5° | 51.9° |
| C41 | C5 | H5C1 | H5C2 | 119.4° | 119.3° |
| C41 | C4 | C3 | N4 | 126.9° | 120.4° |
| C41 | C4 | C3 | H4 | 116.0° | 120.4° |
| C41 | C4 | C3 | C2 | 22.7° | 22.4° |
| C4 | C41 | C1C | C1 | 43.3° | 63.6° |
| C4 | C41 | C1C | H41 | 120.5° | 120.5° |
| C4 | C41 | C1C | C12 | 171.8° | 53.3° |
| C4 | C41 | C1C | O1C | 71.8° | 174.9° |
| C41 | C4 | C3 | O3 | 166.4° | 157.7° |
| C41 | C4 | N4 | H4 | 114.4° | 119.1° |
| C41 | C4 | N4 | C43 | 111.6° | 73.2° |
| C41 | C4 | N4 | C42 | 108.5° | 162.8° |
| C4 | C41 | C5 | H5C1 | 45.7° | 57.4° |
| C4 | C41 | C5 | H5C2 | 73.9° | 176.7° |
| C4 | C3 | C2 | O3 | 141.6° | 180.0° |
| C4 | C3 | C2 | C1 | 8.3° | 0.6° |
| C3 | C4 | C41 | C1C | 5.8° | 53.8° |
| C4 | C3 | C2 | C21 | 171.1° | 179.3° |
| C3 | C4 | N4 | H4 | 116.9° | 119.2° |
| C3 | C4 | N4 | C43 | 119.6° | 48.4° |
| C3 | C4 | N4 | C42 | 20.3° | 75.5° |
| C3 | C4 | C41 | H41 | 126.4° | 67.3° |
| C4 | C3 | O3 | H3 | 179.1° | 174.8° |
| C3 | C2 | C1 | C21 | 179.4° | 179.9° |
| C3 | C2 | C1 | O1 | 144.4° | 168.3° |
| C3 | C2 | C1 | C1C | 35.0° | 12.0° |
| C3 | C2 | C21 | O21 | 29.4° | 104.4° |
| C3 | C2 | C21 | N21 | 150.4° | 75.5° |
| C2 | C3 | C4 | N4 | 149.7° | 142.8° |
| C2 | C3 | C4 | H4 | 93.3° | 98.0° |
| C2 | C3 | O3 | H3 | 34.6° | 5.2° |
| C2 | C1 | O1 | C1C | 179.4° | 179.7° |
| C2 | C1 | C1C | C41 | 59.8° | 43.1° |
| C2 | C1 | C1C | C12 | 174.2° | 72.6° |
| C2 | C1 | C1C | O1C | 58.4° | 165.1° |
| C1 | C2 | C21 | O21 | 151.2° | 75.7° |
| C1 | C2 | C21 | N21 | 29.0° | 104.4° |
| C1 | C2 | C3 | O3 | 149.9° | 179.5° |
| O1 | C1 | C1C | C41 | 119.6° | 137.2° |
| O1 | C1 | C1C | C12 | 6.3° | 107.1° |
| O1 | C1 | C1C | O1C | 122.1° | 15.2° |
| O1 | C1 | C2 | C21 | 35.0° | 11.8° |
| C1 | C1C | C41 | C12 | 128.5° | 116.8° |
| C1 | C1C | C41 | O1C | 115.1° | 121.5° |
| C1 | C1C | C12 | O1C | 116.2° | 122.3° |
| C1 | C1C | C12 | C1B | 115.6° | 159.7° |
| C1 | C1C | C12 | O12 | 64.5° | 20.5° |
| C1C | C1 | C2 | C21 | 145.6° | 167.9° |
| C1 | C1C | C41 | H41 | 163.8° | 57.0° |
| C1 | C1C | O1C | H1C | 102.3° | 60.0° |
| C41 | C1C | C12 | O1C | 119.7° | 122.0° |
| C41 | C1C | C12 | C1B | 8.5° | 44.0° |
| C41 | C1C | C12 | O12 | 171.4° | 136.1° |
| C1C | C41 | C4 | N4 | 123.3° | 174.2° |
| C1C | C41 | C4 | H4 | 122.0° | 66.6° |
| C1C | C41 | C5 | H5C1 | 172.7° | 176.1° |
| C1C | C41 | C5 | H5C2 | 53.1° | 64.6° |
| C41 | C1C | O1C | H1C | 141.2° | 179.4° |
| C1C | C12 | C1B | O12 | 179.8° | 179.9° |
| C12 | C1C | C41 | H41 | 67.7° | 173.8° |
| C12 | C1C | O1C | H1C | 20.8° | 61.2° |
| C1B | C12 | C1C | O1C | 128.2° | 78.1° |
| C12 | C1B | C11 | O11 | 0.1° | 0.1° |
| O12 | C12 | C1C | O1C | 51.6° | 101.8° |
| O1C | C1C | C41 | H41 | 48.7° | 64.6° |
| C2 | C21 | O21 | N21 | 179.8° | 180.0° |
| C21 | C2 | C3 | O3 | 29.5° | 0.6° |
| C2 | C21 | N21 | H211 | 179.8° | 4.9° |
| C2 | C21 | N21 | H212 | 0.2° | 175.0° |
| O21 | C21 | N21 | H211 | 0.0° | 175.1° |
| O21 | C21 | N21 | H212 | 180.0° | 5.0° |
| C21 | N21 | H211 | H212 | 180.0° | 179.9° |
| O3 | C3 | C4 | N4 | 66.7° | 37.3° |
| O3 | C3 | C4 | H4 | 50.4° | 82.0° |
| C4 | N4 | C43 | C42 | 141.3° | 124.0° |
| N4 | C4 | C41 | H41 | 2.7° | 53.1° |
| C4 | N4 | C42 | H431 | 180.0° | 67.1° |
| C4 | N4 | C42 | H432 | 60.0° | 172.8° |
| C4 | N4 | C42 | H433 | 60.0° | 52.8° |
| C4 | N4 | C43 | H422 | 180.0° | 64.7° |
| C4 | N4 | C43 | H423 | 60.0° | 175.3° |
| C4 | N4 | C43 | H421 | 60.0° | 55.3° |
| C43 | N4 | C4 | H4 | 2.7° | 167.6° |
| C43 | N4 | C42 | H431 | 36.8° | 56.9° |
| C43 | N4 | C42 | H432 | 83.1° | 63.2° |
| C43 | N4 | C42 | H433 | 156.9° | 176.8° |
| N4 | C43 | H422 | H423 | 120.0° | 120.0° |
| N4 | C43 | H422 | H421 | 120.0° | 120.0° |
| N4 | C43 | H423 | H421 | 120.0° | 120.0° |
| C42 | N4 | C4 | H4 | 137.1° | 43.7° |
| N4 | C42 | H431 | H432 | 120.0° | 120.0° |
| N4 | C42 | H431 | H433 | 120.0° | 119.9° |
| N4 | C42 | H432 | H433 | 120.0° | 120.0° |
| C42 | N4 | C43 | H422 | 38.6° | 171.4° |
| C42 | N4 | C43 | H423 | 158.7° | 51.4° |
| C42 | N4 | C43 | H421 | 81.3° | 68.6° |
| C10 | O10 | C13 | C15 | 88.3° | 174.9° |
| C10 | O10 | C13 | O14 | 92.4° | 5.1° |
| O10 | C10 | C9 | H9 | 0.0° | 0.0° |
| O10 | C13 | C15 | O14 | 179.2° | 180.0° |
| O10 | C13 | C15 | N20 | 158.9° | 180.0° |
| O10 | C13 | C15 | N16 | 21.6° | 0.2° |
| C17 | C18 | C19 | H181 | 180.0° | 179.7° |
| C17 | C18 | C19 | N20 | 0.0° | 0.3° |
| C18 | C17 | N16 | C15 | 0.1° | 0.0° |
| C18 | C17 | N16 | H191 | 180.0° | 179.7° |
| C17 | C18 | C19 | H171 | 180.0° | 180.0° |
| C18 | C19 | N20 | C15 | 0.1° | 0.1° |
| C18 | C19 | N20 | H171 | 180.0° | 179.7° |
| C19 | C18 | C17 | N16 | 0.0° | 0.3° |
| C19 | C18 | C17 | H191 | 180.0° | 180.0° |
| C13 | C15 | N20 | N16 | 179.5° | 179.7° |
| C13 | C15 | N20 | C19 | 179.7° | 180.0° |
| C13 | C15 | N16 | C17 | 179.7° | 180.0° |
| N20 | C15 | N16 | C17 | 0.3° | 0.3° |
| N20 | C15 | C13 | O14 | 21.9° | 0.0° |
| C15 | N20 | C19 | H171 | 179.9° | 179.7° |
| C19 | N20 | C15 | N16 | 0.2° | 0.2° |
| N20 | C19 | C18 | H181 | 180.0° | 180.0° |
| N16 | C15 | C13 | O14 | 157.6° | 179.7° |
| C15 | N16 | C17 | H191 | 179.8° | 179.7° |
| N16 | C17 | C18 | H181 | 180.0° | 180.0° |
| H4 | C4 | C41 | H41 | 117.4° | 172.3° |
| H5C1 | C5 | C41 | H41 | 71.1° | 63.0° |
| H5C2 | C5 | C41 | H41 | 169.3° | 56.4° |
| H191 | C17 | C18 | H181 | 0.0° | 0.3° |
| H181 | C18 | C19 | H171 | 0.0° | 0.4° |
| H431 | C42 | H432 | H433 | 120.0° | 120.0° |
| H422 | C43 | H423 | H421 | 120.0° | 120.0° |
| H622 | C62 | H623 | H621 | 120.0° | 119.9° |
| H7 | C7 | C8 | H8 | 0.1° | 0.2° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
