A1J1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| O33 | C32 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C35 | N30 | sing | 1.47Å | 1.50Å | |
| C31 | N30 | sing | 1.47Å | 1.50Å | |
| N30 | C29 | sing | 1.47Å | 1.51Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | trip | 1.17Å | 1.20Å | |
| C23 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | F4 | sing | 1.40Å | 1.41Å | |
| C22 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N5 | sing | 1.47Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C17 | C7 | sing | 1.51Å | 1.52Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| N10 | C9 | sing | 1.34Å | 1.41Å | |
| N10 | C11 | doub | 1.31Å | 1.31Å | |
| C9 | C15 | doub | 1.36Å | 1.37Å | |
| C11 | N12 | sing | 1.35Å | 1.35Å | |
| C15 | O16 | sing | 1.36Å | 1.33Å | |
| C15 | C13 | sing | 1.41Å | 1.44Å | |
| N12 | C13 | sing | 1.35Å | 1.37Å | |
| C13 | O14 | doub | 1.22Å | 1.23Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N5 | H5 | sing | 1.01Å | 1.00Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | O33 | C32 | 110.9° | 113.7° |
| O33 | C34 | C35 | 111.4° | 109.3° |
| O33 | C34 | H34A | 108.9° | 109.6° |
| O33 | C34 | H34B | 109.0° | 109.5° |
| O33 | C32 | C31 | 111.4° | 109.3° |
| O33 | C32 | H32A | 109.0° | 109.5° |
| O33 | C32 | H32B | 109.0° | 109.5° |
| C34 | C35 | N30 | 109.8° | 109.2° |
| C35 | C34 | H34A | 109.0° | 109.5° |
| C35 | C34 | H34B | 109.0° | 109.5° |
| C34 | C35 | H35B | 109.4° | 109.5° |
| C34 | C35 | H35A | 109.4° | 109.5° |
| C32 | C31 | N30 | 109.8° | 109.2° |
| C32 | C31 | H31A | 109.4° | 109.5° |
| C32 | C31 | H31B | 109.4° | 109.5° |
| C31 | C32 | H32A | 109.0° | 109.5° |
| C31 | C32 | H32B | 109.0° | 109.5° |
| C35 | N30 | C31 | 109.7° | 110.8° |
| C35 | N30 | C29 | 112.0° | 110.9° |
| N30 | C35 | H35B | 109.4° | 109.5° |
| N30 | C35 | H35A | 109.4° | 109.6° |
| C31 | N30 | C29 | 112.9° | 111.0° |
| N30 | C31 | H31A | 109.4° | 109.5° |
| N30 | C31 | H31B | 109.4° | 109.5° |
| N30 | C29 | C28 | 113.7° | 109.5° |
| N30 | C29 | H29B | 108.4° | 109.5° |
| N30 | C29 | H29A | 108.4° | 109.5° |
| C29 | C28 | C27 | 120.6° | 119.8° |
| C29 | C28 | C36 | 121.0° | 119.8° |
| C28 | C29 | H29B | 108.4° | 109.4° |
| C28 | C29 | H29A | 108.4° | 109.5° |
| C27 | C28 | C36 | 118.4° | 120.4° |
| C28 | C27 | C26 | 121.1° | 120.2° |
| C28 | C27 | H27 | 119.5° | 119.9° |
| C28 | C36 | C37 | 121.1° | 120.1° |
| C28 | C36 | H36 | 119.5° | 120.0° |
| C27 | C26 | C25 | 120.2° | 119.8° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 119.4° | 119.9° |
| C36 | C37 | C25 | 120.2° | 119.8° |
| C37 | C36 | H36 | 119.5° | 119.9° |
| C36 | C37 | H37 | 119.9° | 120.1° |
| C26 | C25 | C37 | 119.0° | 119.7° |
| C26 | C25 | C24 | 120.3° | 120.2° |
| C25 | C26 | H26 | 119.9° | 120.1° |
| C37 | C25 | C24 | 120.5° | 120.2° |
| C25 | C37 | H37 | 119.9° | 120.1° |
| C25 | C24 | C23 | 176.5° | 180.0° |
| C24 | C23 | C20 | 176.7° | 180.0° |
| C23 | C20 | C19 | 120.2° | 120.2° |
| C23 | C20 | C21 | 120.5° | 120.2° |
| C19 | C20 | C21 | 118.8° | 119.6° |
| C20 | C19 | C18 | 120.2° | 119.9° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.3° | 119.9° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C19 | C18 | C17 | 121.3° | 120.2° |
| C19 | C18 | H18 | 119.3° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.1° |
| C21 | C22 | C17 | 121.2° | 120.1° |
| C22 | C21 | H21 | 119.8° | 120.1° |
| C21 | C22 | H22 | 119.4° | 119.9° |
| C18 | C17 | C22 | 118.1° | 120.3° |
| C18 | C17 | C7 | 119.8° | 119.8° |
| C17 | C18 | H18 | 119.3° | 119.9° |
| C2 | C3 | F4 | 113.1° | 109.5° |
| C3 | C2 | N5 | 110.9° | 109.5° |
| C3 | C2 | C1 | 116.7° | 109.5° |
| C2 | C3 | H3B | 108.6° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| C3 | C2 | H2 | 105.8° | 109.4° |
| F4 | C3 | H3B | 108.5° | 109.5° |
| F4 | C3 | H3A | 108.6° | 109.4° |
| C22 | C17 | C7 | 121.5° | 119.8° |
| C17 | C22 | H22 | 119.4° | 119.9° |
| N5 | C2 | C1 | 111.0° | 109.5° |
| C2 | N5 | C6 | 127.3° | 111.0° |
| N5 | C2 | H2 | 105.8° | 109.5° |
| C2 | N5 | H5 | 104.9° | 111.0° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.5° |
| C1 | C2 | H2 | 105.7° | 109.5° |
| C17 | C7 | C6 | 112.7° | 109.5° |
| C17 | C7 | C8 | 112.2° | 109.5° |
| C17 | C7 | H7 | 107.1° | 109.5° |
| N5 | C6 | C7 | 112.3° | 109.5° |
| N5 | C6 | H6B | 108.8° | 109.5° |
| N5 | C6 | H6A | 108.7° | 109.5° |
| C6 | N5 | H5 | 104.8° | 111.0° |
| C6 | C7 | C8 | 110.4° | 109.5° |
| C7 | C6 | H6B | 108.8° | 109.5° |
| C7 | C6 | H6A | 108.8° | 109.5° |
| C6 | C7 | H7 | 107.0° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C8 | C7 | H7 | 107.0° | 109.4° |
| C7 | C8 | H8B | 108.6° | 109.4° |
| C7 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | N10 | 113.5° | 120.1° |
| C8 | C9 | C15 | 124.0° | 120.1° |
| C9 | C8 | H8B | 108.5° | 109.4° |
| C9 | C8 | H8A | 108.6° | 109.5° |
| C9 | N10 | C11 | 115.5° | 121.6° |
| N10 | C9 | C15 | 122.5° | 119.8° |
| N10 | C11 | N12 | 124.6° | 121.5° |
| N10 | C11 | H11 | 117.7° | 119.2° |
| C9 | C15 | O16 | 118.4° | 120.7° |
| C9 | C15 | C13 | 119.7° | 118.5° |
| C11 | N12 | C13 | 123.5° | 120.0° |
| N12 | C11 | H11 | 117.7° | 119.2° |
| C11 | N12 | H12 | 118.3° | 120.0° |
| O16 | C15 | C13 | 120.6° | 120.8° |
| C15 | O16 | H1 | 109.5° | 114.0° |
| C15 | C13 | N12 | 114.1° | 118.5° |
| C15 | C13 | O14 | 123.7° | 120.7° |
| N12 | C13 | O14 | 121.6° | 120.8° |
| C13 | N12 | H12 | 118.2° | 120.0° |
| H3B | C3 | H3A | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H6B | C6 | H6A | 109.5° | 109.4° |
| H8B | C8 | H8A | 109.4° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H35B | C35 | H35A | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C34 | C35 | H34A | 120.3° | 120.0° |
| O33 | C34 | C35 | H34B | 120.3° | 119.9° |
| C34 | O33 | C32 | C31 | 59.0° | 58.7° |
| O33 | C34 | C35 | N30 | 57.4° | 56.9° |
| C34 | O33 | C32 | H32A | 179.3° | 61.3° |
| C34 | O33 | C32 | H32B | 61.3° | 178.7° |
| O33 | C34 | H34A | H34B | 119.1° | 120.1° |
| O33 | C34 | C35 | H35B | 177.4° | 63.0° |
| O33 | C34 | C35 | H35A | 62.7° | 176.8° |
| C32 | O33 | C34 | C35 | 58.9° | 58.7° |
| O33 | C32 | C31 | H32A | 120.3° | 120.0° |
| O33 | C32 | C31 | H32B | 120.3° | 120.0° |
| O33 | C32 | C31 | N30 | 57.5° | 56.9° |
| O33 | C32 | C31 | H31A | 62.5° | 176.8° |
| O33 | C32 | C31 | H31B | 177.6° | 63.0° |
| O33 | C32 | H32A | H32B | 119.1° | 120.1° |
| C32 | O33 | C34 | H34A | 61.4° | 61.2° |
| C32 | O33 | C34 | H34B | 179.2° | 178.6° |
| C34 | C35 | N30 | H35B | 120.0° | 119.9° |
| C34 | C35 | N30 | H35A | 120.0° | 119.9° |
| C34 | C35 | N30 | C31 | 55.5° | 58.6° |
| C34 | C35 | N30 | C29 | 178.3° | 177.6° |
| C35 | C34 | H34A | H34B | 119.1° | 120.1° |
| C34 | C35 | H35B | H35A | 119.8° | 120.1° |
| C32 | C31 | N30 | C35 | 55.6° | 58.6° |
| C32 | C31 | N30 | H31A | 120.1° | 119.9° |
| C32 | C31 | N30 | H31B | 120.1° | 119.9° |
| C32 | C31 | N30 | C29 | 178.6° | 177.7° |
| C32 | C31 | H31A | H31B | 119.9° | 120.2° |
| C31 | C32 | H32A | H32B | 119.1° | 120.1° |
| C35 | N30 | C31 | C29 | 125.7° | 123.7° |
| C35 | N30 | C29 | C28 | 176.3° | 66.4° |
| C35 | N30 | C29 | H29B | 55.7° | 173.7° |
| C35 | N30 | C29 | H29A | 63.1° | 53.7° |
| C35 | N30 | C31 | H31A | 64.4° | 178.6° |
| C35 | N30 | C31 | H31B | 175.7° | 61.3° |
| N30 | C35 | C34 | H34A | 62.9° | 63.1° |
| N30 | C35 | C34 | H34B | 177.7° | 176.8° |
| N30 | C35 | H35B | H35A | 119.9° | 120.2° |
| C31 | N30 | C29 | C28 | 59.2° | 170.0° |
| C31 | N30 | C29 | H29B | 179.8° | 50.1° |
| C31 | N30 | C29 | H29A | 61.4° | 70.0° |
| N30 | C31 | H31A | H31B | 119.9° | 120.1° |
| N30 | C31 | C32 | H32A | 177.8° | 63.1° |
| N30 | C31 | C32 | H32B | 62.8° | 176.9° |
| C31 | N30 | C35 | H35B | 175.6° | 61.2° |
| C31 | N30 | C35 | H35A | 64.5° | 178.6° |
| N30 | C29 | C28 | H29B | 120.6° | 120.0° |
| N30 | C29 | C28 | H29A | 120.6° | 120.0° |
| N30 | C29 | C28 | C27 | 137.7° | 90.0° |
| N30 | C29 | C28 | C36 | 42.5° | 90.0° |
| N30 | C29 | H29B | H29A | 118.1° | 120.0° |
| C29 | N30 | C31 | H31A | 61.3° | 57.7° |
| C29 | N30 | C31 | H31B | 58.6° | 62.4° |
| C29 | N30 | C35 | H35B | 58.2° | 62.5° |
| C29 | N30 | C35 | H35A | 61.7° | 57.7° |
| C29 | C28 | C27 | C36 | 179.9° | 180.0° |
| C29 | C28 | C27 | C26 | 180.0° | 180.0° |
| C29 | C28 | C36 | C37 | 180.0° | 179.7° |
| C29 | C28 | C27 | H27 | 0.0° | 0.0° |
| C28 | C29 | H29B | H29A | 118.0° | 120.0° |
| C29 | C28 | C36 | H36 | 0.0° | 0.0° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C27 | C28 | C36 | C37 | 0.2° | 0.3° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H26 | 179.8° | 180.0° |
| C27 | C28 | C29 | H29B | 101.7° | 150.0° |
| C27 | C28 | C29 | H29A | 17.0° | 30.0° |
| C27 | C28 | C36 | H36 | 179.9° | 180.0° |
| C36 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C36 | C37 | H36 | 180.0° | 179.7° |
| C28 | C36 | C37 | C25 | 0.2° | 0.6° |
| C36 | C28 | C27 | H27 | 179.9° | 180.0° |
| C36 | C28 | C29 | H29B | 78.2° | 30.0° |
| C36 | C28 | C29 | H29A | 163.1° | 150.0° |
| C28 | C36 | C37 | H37 | 179.8° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C37 | 0.5° | 0.3° |
| C27 | C26 | C25 | C24 | 175.3° | 180.0° |
| C36 | C37 | C25 | C26 | 0.5° | 0.6° |
| C36 | C37 | C25 | H37 | 180.0° | 179.5° |
| C36 | C37 | C25 | C24 | 175.3° | 179.7° |
| C26 | C25 | C37 | C24 | 175.8° | 179.7° |
| C26 | C25 | C24 | C23 | 143.1° | 31.2° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C26 | C25 | C37 | H37 | 179.5° | 180.0° |
| C37 | C25 | C24 | C23 | 41.2° | 149.1° |
| C37 | C25 | C26 | H26 | 179.5° | 179.7° |
| C25 | C37 | C36 | H36 | 179.8° | 179.7° |
| C25 | C24 | C23 | C20 | 72.9° | 126.5° |
| C24 | C25 | C26 | H26 | 4.7° | 0.0° |
| C24 | C25 | C37 | H37 | 4.7° | 0.3° |
| C24 | C23 | C20 | C19 | 71.5° | 22.4° |
| C24 | C23 | C20 | C21 | 100.6° | 157.1° |
| C23 | C20 | C19 | C21 | 172.2° | 179.5° |
| C23 | C20 | C19 | C18 | 171.8° | 179.9° |
| C23 | C20 | C21 | C22 | 171.7° | 179.7° |
| C23 | C20 | C19 | H19 | 8.2° | 0.1° |
| C23 | C20 | C21 | H21 | 8.2° | 0.5° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.8° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H18 | 179.5° | 179.7° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.2° |
| C20 | C21 | C22 | C17 | 0.5° | 0.5° |
| C21 | C20 | C19 | H19 | 179.6° | 179.6° |
| C20 | C21 | C22 | H22 | 179.5° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | C22 | 1.4° | 0.2° |
| C19 | C18 | C17 | C7 | 169.7° | 179.7° |
| C21 | C22 | C17 | C18 | 1.4° | 0.0° |
| C21 | C22 | C17 | H22 | 180.0° | 179.4° |
| C21 | C22 | C17 | C7 | 169.5° | 180.0° |
| C18 | C17 | C22 | C7 | 170.9° | 180.0° |
| C18 | C17 | C7 | C6 | 107.7° | 120.0° |
| C18 | C17 | C7 | C8 | 126.9° | 120.0° |
| C18 | C17 | C7 | H7 | 9.7° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 179.9° |
| C18 | C17 | C22 | H22 | 178.6° | 179.4° |
| C2 | C3 | F4 | H3B | 120.6° | 120.0° |
| C2 | C3 | F4 | H3A | 120.5° | 120.0° |
| C3 | C2 | N5 | C1 | 131.4° | 120.0° |
| C3 | C2 | N5 | H2 | 114.3° | 120.0° |
| C3 | C2 | C1 | H2 | 117.3° | 120.0° |
| C3 | C2 | N5 | C6 | 78.9° | 153.7° |
| C2 | C3 | H3B | H3A | 118.4° | 120.0° |
| C3 | C2 | C1 | H1A | 180.0° | 55.0° |
| C3 | C2 | C1 | H1B | 60.0° | 175.0° |
| C3 | C2 | C1 | H1C | 60.0° | 65.0° |
| C3 | C2 | N5 | H5 | 158.7° | 29.8° |
| F4 | C3 | C2 | N5 | 115.0° | 60.0° |
| F4 | C3 | C2 | C1 | 13.4° | 180.0° |
| F4 | C3 | H3B | H3A | 118.3° | 120.0° |
| F4 | C3 | C2 | H2 | 130.6° | 60.0° |
| C22 | C17 | C7 | C6 | 81.5° | 60.0° |
| C22 | C17 | C7 | C8 | 43.9° | 60.0° |
| C22 | C17 | C7 | H7 | 161.1° | 180.0° |
| C22 | C17 | C18 | H18 | 178.6° | 180.0° |
| C17 | C22 | C21 | H21 | 179.5° | 179.8° |
| N5 | C2 | C1 | H2 | 114.3° | 120.0° |
| C2 | N5 | C6 | H5 | 122.4° | 124.0° |
| C2 | N5 | C6 | C7 | 92.8° | 174.8° |
| N5 | C2 | C3 | H3B | 5.5° | 180.0° |
| N5 | C2 | C3 | H3A | 124.4° | 60.0° |
| N5 | C2 | C1 | H1A | 51.6° | 175.0° |
| N5 | C2 | C1 | H1B | 68.4° | 65.1° |
| N5 | C2 | C1 | H1C | 171.6° | 55.0° |
| C2 | N5 | C6 | H6B | 27.6° | 65.2° |
| C2 | N5 | C6 | H6A | 146.7° | 54.8° |
| C1 | C2 | N5 | C6 | 52.5° | 86.3° |
| C1 | C2 | C3 | H3B | 133.9° | 60.0° |
| C1 | C2 | C3 | H3A | 107.1° | 60.0° |
| C2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C1 | C2 | N5 | H5 | 69.8° | 149.8° |
| C17 | C7 | C6 | N5 | 58.8° | 65.1° |
| C17 | C7 | C6 | C8 | 126.4° | 120.0° |
| C17 | C7 | C6 | H7 | 117.5° | 120.0° |
| C17 | C7 | C8 | H7 | 117.2° | 120.0° |
| C17 | C7 | C8 | C9 | 167.3° | 174.2° |
| C17 | C7 | C6 | H6B | 179.2° | 54.9° |
| C17 | C7 | C6 | H6A | 61.6° | 174.9° |
| C17 | C7 | C8 | H8B | 72.2° | 65.8° |
| C17 | C7 | C8 | H8A | 46.7° | 54.2° |
| C7 | C17 | C18 | H18 | 10.3° | 0.0° |
| C7 | C17 | C22 | H22 | 10.4° | 0.6° |
| N5 | C6 | C7 | H6B | 120.4° | 120.0° |
| N5 | C6 | C7 | H6A | 120.4° | 120.0° |
| N5 | C6 | C7 | C8 | 174.8° | 174.9° |
| N5 | C6 | H6B | H6A | 118.7° | 120.0° |
| N5 | C6 | C7 | H7 | 58.7° | 55.0° |
| C6 | N5 | C2 | H2 | 166.8° | 33.8° |
| C6 | C7 | C8 | H7 | 116.1° | 120.0° |
| C6 | C7 | C8 | C9 | 66.0° | 65.7° |
| C7 | C6 | H6B | H6A | 118.7° | 120.0° |
| C6 | C7 | C8 | H8B | 54.5° | 54.2° |
| C6 | C7 | C8 | H8A | 173.4° | 174.3° |
| C7 | C6 | N5 | H5 | 144.8° | 61.2° |
| C7 | C8 | C9 | H8B | 120.6° | 119.9° |
| C7 | C8 | C9 | H8A | 120.6° | 120.0° |
| C7 | C8 | C9 | N10 | 67.2° | 78.5° |
| C7 | C8 | C9 | C15 | 114.9° | 100.6° |
| C8 | C7 | C6 | H6B | 54.3° | 65.1° |
| C8 | C7 | C6 | H6A | 64.8° | 54.9° |
| C7 | C8 | H8B | H8A | 118.3° | 120.0° |
| C8 | C9 | N10 | C15 | 177.9° | 179.1° |
| C8 | C9 | N10 | C11 | 177.7° | 179.8° |
| C8 | C9 | C15 | O16 | 10.4° | 0.0° |
| C8 | C9 | C15 | C13 | 177.9° | 180.0° |
| C9 | C8 | C7 | H7 | 50.1° | 54.3° |
| C9 | C8 | H8B | H8A | 118.3° | 120.0° |
| C9 | N10 | C11 | N12 | 0.6° | 0.1° |
| N10 | C9 | C15 | O16 | 167.3° | 179.2° |
| N10 | C9 | C15 | C13 | 0.2° | 0.9° |
| C9 | N10 | C11 | H11 | 179.4° | 179.7° |
| N10 | C9 | C8 | H8B | 172.2° | 161.6° |
| N10 | C9 | C8 | H8A | 53.3° | 41.5° |
| C11 | N10 | C9 | C15 | 0.2° | 0.7° |
| N10 | C11 | N12 | H11 | 180.0° | 179.8° |
| N10 | C11 | N12 | C13 | 0.6° | 0.2° |
| N10 | C11 | N12 | H12 | 179.4° | 179.7° |
| C9 | C15 | O16 | C13 | 167.3° | 179.9° |
| C9 | C15 | C13 | N12 | 0.2° | 0.6° |
| C9 | C15 | C13 | O14 | 171.6° | 180.0° |
| C15 | C9 | C8 | H8B | 5.7° | 19.3° |
| C15 | C9 | C8 | H8A | 124.5° | 139.3° |
| C9 | C15 | O16 | H1 | 169.3° | 175.0° |
| C11 | N12 | C13 | C15 | 0.1° | 0.1° |
| C11 | N12 | C13 | H12 | 180.0° | 179.9° |
| C11 | N12 | C13 | O14 | 171.5° | 179.5° |
| O16 | C15 | C13 | N12 | 166.9° | 179.4° |
| O16 | C15 | C13 | O14 | 4.4° | 0.1° |
| C15 | C13 | N12 | O14 | 171.6° | 179.4° |
| C15 | C13 | N12 | H12 | 179.9° | 180.0° |
| C13 | C15 | O16 | H1 | 1.9° | 5.0° |
| C13 | N12 | C11 | H11 | 179.4° | 180.0° |
| O14 | C13 | N12 | H12 | 8.6° | 0.7° |
| H3B | C3 | C2 | H2 | 108.8° | 60.1° |
| H3A | C3 | C2 | H2 | 10.1° | 180.0° |
| H1A | C1 | H1B | H1C | 120.0° | 120.0° |
| H1A | C1 | C2 | H2 | 62.7° | 65.0° |
| H1B | C1 | C2 | H2 | 177.3° | 55.0° |
| H1C | C1 | C2 | H2 | 57.3° | 175.0° |
| H6B | C6 | C7 | H7 | 61.8° | 175.0° |
| H6B | C6 | N5 | H5 | 94.8° | 58.8° |
| H6A | C6 | C7 | H7 | 179.1° | 65.1° |
| H6A | C6 | N5 | H5 | 24.4° | 178.8° |
| H11 | C11 | N12 | H12 | 0.6° | 0.1° |
| H7 | C7 | C8 | H8B | 170.6° | 174.2° |
| H7 | C7 | C8 | H8A | 70.5° | 65.8° |
| H18 | C18 | C19 | H19 | 0.5° | 0.2° |
| H2 | C2 | N5 | H5 | 44.4° | 90.2° |
| H21 | C21 | C22 | H22 | 0.5° | 0.8° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| H31A | C31 | C32 | H32A | 57.7° | 56.8° |
| H31A | C31 | C32 | H32B | 177.2° | 63.2° |
| H31B | C31 | C32 | H32A | 62.1° | 177.0° |
| H31B | C31 | C32 | H32B | 57.3° | 57.0° |
| H34A | C34 | C35 | H35B | 57.1° | 177.0° |
| H34A | C34 | C35 | H35A | 177.0° | 56.8° |
| H34B | C34 | C35 | H35B | 62.3° | 56.9° |
| H34B | C34 | C35 | H35A | 57.6° | 63.3° |
| H36 | C36 | C37 | H37 | 0.2° | 0.2° |
