YB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C28 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N8 | sing | 1.40Å | 1.42Å | |
| C24 | C29 | sing | 1.51Å | 1.51Å | |
| N8 | C7 | sing | 1.35Å | 1.35Å | |
| O1 | C7 | doub | 1.22Å | 1.22Å | |
| C29 | C32 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C11 | C15 | sing | 1.50Å | 1.51Å | |
| N1 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| N1 | C16 | sing | 1.39Å | 1.40Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C17 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | N2 | sing | 1.38Å | 1.35Å | |
| C5 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C6 | sing | 1.40Å | 1.39Å | |
| C4 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | N6 | sing | 1.47Å | 1.47Å | |
| C3 | N6 | sing | 1.40Å | 1.40Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N7 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N5 | sing | 1.40Å | 1.42Å | |
| N6 | C21 | sing | 1.47Å | 1.47Å | |
| N5 | C33 | sing | 1.35Å | 1.35Å | |
| N7 | C22 | sing | 1.47Å | 1.46Å | |
| N7 | C20 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C33 | O2 | doub | 1.21Å | 1.22Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| N8 | H25 | sing | 0.97Å | 1.00Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 121.2° | 120.1° |
| C27 | C26 | C25 | 119.7° | 120.1° |
| C27 | C26 | H27 | 120.2° | 120.0° |
| C26 | C27 | H28 | 119.4° | 120.0° |
| C27 | C28 | C30 | 120.3° | 120.0° |
| C27 | C28 | C23 | 117.9° | 119.9° |
| C28 | C27 | H28 | 119.4° | 119.9° |
| C26 | C25 | C24 | 121.5° | 120.1° |
| C26 | C25 | H26 | 119.2° | 119.9° |
| C25 | C26 | H27 | 120.2° | 119.9° |
| C28 | C30 | C31 | 113.6° | 109.5° |
| C30 | C28 | C23 | 121.7° | 120.1° |
| C28 | C30 | H31 | 108.4° | 109.5° |
| C28 | C30 | H32 | 108.4° | 109.5° |
| C31 | C30 | H31 | 108.4° | 109.4° |
| C31 | C30 | H32 | 108.4° | 109.4° |
| C30 | C31 | H33 | 109.5° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C28 | C23 | C24 | 122.0° | 119.9° |
| C28 | C23 | N8 | 119.0° | 120.0° |
| C25 | C24 | C23 | 117.7° | 120.0° |
| C25 | C24 | C29 | 120.2° | 120.0° |
| C24 | C25 | H26 | 119.2° | 120.0° |
| C24 | C23 | N8 | 119.0° | 120.1° |
| C23 | C24 | C29 | 122.1° | 120.0° |
| C23 | N8 | C7 | 124.8° | 120.0° |
| C23 | N8 | H25 | 117.6° | 120.0° |
| C24 | C29 | C32 | 114.4° | 109.5° |
| C24 | C29 | H29 | 108.2° | 109.5° |
| C24 | C29 | H30 | 108.3° | 109.5° |
| N8 | C7 | O1 | 122.8° | 120.0° |
| N8 | C7 | C8 | 116.8° | 120.0° |
| C7 | N8 | H25 | 117.6° | 119.9° |
| O1 | C7 | C8 | 120.4° | 120.0° |
| C32 | C29 | H29 | 108.2° | 109.5° |
| C32 | C29 | H30 | 108.2° | 109.4° |
| C29 | C32 | H36 | 109.5° | 109.5° |
| C29 | C32 | H37 | 109.4° | 109.5° |
| C29 | C32 | H38 | 109.5° | 109.5° |
| C7 | C8 | C13 | 126.2° | 126.9° |
| C7 | C8 | C9 | 127.4° | 126.9° |
| C13 | C8 | C9 | 106.4° | 106.2° |
| C8 | C13 | C12 | 129.4° | 129.0° |
| C8 | C13 | N1 | 108.5° | 108.5° |
| C8 | C9 | C10 | 108.2° | 106.6° |
| C8 | C9 | H6 | 125.9° | 126.7° |
| C13 | C12 | C11 | 111.9° | 109.0° |
| C12 | C13 | N1 | 122.1° | 122.5° |
| C13 | C12 | H8 | 108.9° | 109.6° |
| C13 | C12 | H9 | 108.9° | 109.6° |
| C12 | C11 | C15 | 116.0° | 111.5° |
| C12 | C11 | H4 | 107.8° | 109.1° |
| C12 | C11 | H5 | 107.8° | 109.0° |
| C11 | C12 | H8 | 108.8° | 109.6° |
| C11 | C12 | H9 | 108.9° | 109.5° |
| C13 | N1 | C10 | 108.0° | 109.8° |
| C13 | N1 | C16 | 121.7° | 121.0° |
| C9 | C10 | N1 | 109.0° | 108.9° |
| C10 | C9 | H6 | 125.9° | 126.7° |
| C9 | C10 | H7 | 125.5° | 125.6° |
| C11 | C15 | C16 | 120.3° | 121.5° |
| C11 | C15 | C14 | 122.6° | 120.4° |
| C15 | C11 | H4 | 107.8° | 109.0° |
| C15 | C11 | H5 | 107.8° | 109.0° |
| C10 | N1 | C16 | 130.3° | 129.2° |
| N1 | C10 | H7 | 125.5° | 125.5° |
| N1 | C16 | C15 | 120.5° | 118.5° |
| N1 | C16 | N3 | 118.7° | 121.7° |
| C16 | C15 | C14 | 117.2° | 118.1° |
| C15 | C16 | N3 | 120.8° | 119.8° |
| C15 | C14 | N4 | 120.8° | 119.1° |
| C15 | C14 | H2 | 119.6° | 120.4° |
| C16 | N3 | C17 | 118.7° | 120.3° |
| C14 | N4 | C17 | 117.3° | 121.1° |
| N4 | C14 | H2 | 119.6° | 120.4° |
| N3 | C17 | N4 | 125.2° | 121.5° |
| N3 | C17 | N2 | 116.8° | 119.3° |
| N4 | C17 | N2 | 118.0° | 119.2° |
| C17 | N2 | C6 | 130.1° | 120.0° |
| C17 | N2 | H10 | 115.0° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C5 | C4 | C3 | 121.3° | 120.1° |
| C5 | C4 | H1 | 119.4° | 119.9° |
| C4 | C5 | H3 | 119.8° | 119.9° |
| C5 | C6 | N2 | 120.6° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.0° |
| C6 | C5 | H3 | 119.8° | 120.0° |
| N2 | C6 | C1 | 120.2° | 120.0° |
| C6 | N2 | H10 | 114.9° | 120.0° |
| C4 | C3 | N6 | 120.3° | 119.9° |
| C4 | C3 | C2 | 118.1° | 120.0° |
| C3 | C4 | H1 | 119.4° | 120.0° |
| C6 | C1 | C2 | 120.4° | 119.9° |
| C6 | C1 | N5 | 119.6° | 120.0° |
| C19 | C18 | N6 | 113.2° | 109.4° |
| C18 | C19 | N7 | 110.4° | 109.3° |
| C19 | C18 | H13 | 108.6° | 109.5° |
| C19 | C18 | H14 | 108.5° | 109.5° |
| C18 | C19 | H15 | 109.2° | 109.5° |
| C18 | C19 | H16 | 109.2° | 109.5° |
| C18 | N6 | C3 | 121.8° | 111.0° |
| C18 | N6 | C21 | 115.6° | 110.9° |
| N6 | C18 | H13 | 108.5° | 109.5° |
| N6 | C18 | H14 | 108.6° | 109.5° |
| N6 | C3 | C2 | 121.5° | 120.0° |
| C3 | N6 | C21 | 122.1° | 111.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C3 | C2 | H11 | 119.7° | 120.0° |
| C19 | N7 | C22 | 111.3° | 111.0° |
| C19 | N7 | C20 | 107.4° | 110.9° |
| N7 | C19 | H15 | 109.2° | 109.5° |
| N7 | C19 | H16 | 109.2° | 109.5° |
| C2 | C1 | N5 | 120.1° | 120.1° |
| C1 | C2 | H11 | 119.7° | 120.0° |
| C1 | N5 | C33 | 125.9° | 119.9° |
| C1 | N5 | H12 | 117.0° | 120.0° |
| N6 | C21 | C20 | 113.1° | 109.4° |
| N6 | C21 | H20 | 108.6° | 109.5° |
| N6 | C21 | H21 | 108.5° | 109.5° |
| N5 | C33 | O2 | 122.8° | 120.0° |
| N5 | C33 | C34 | 114.5° | 120.0° |
| C33 | N5 | H12 | 117.0° | 120.0° |
| C22 | N7 | C20 | 111.4° | 111.0° |
| N7 | C22 | H22 | 109.5° | 109.5° |
| N7 | C22 | H23 | 109.5° | 109.5° |
| N7 | C22 | H24 | 109.4° | 109.5° |
| N7 | C20 | C21 | 110.8° | 109.4° |
| N7 | C20 | H18 | 109.1° | 109.5° |
| N7 | C20 | H19 | 109.1° | 109.5° |
| C21 | C20 | H18 | 109.2° | 109.4° |
| C21 | C20 | H19 | 109.1° | 109.5° |
| C20 | C21 | H20 | 108.6° | 109.5° |
| C20 | C21 | H21 | 108.6° | 109.5° |
| O2 | C33 | C34 | 122.7° | 120.0° |
| C33 | C34 | C35 | 113.6° | 109.4° |
| C33 | C34 | H39 | 108.4° | 109.4° |
| C33 | C34 | H40 | 108.4° | 109.4° |
| C35 | C34 | H39 | 108.4° | 109.5° |
| C35 | C34 | H40 | 108.4° | 109.5° |
| C34 | C35 | H41 | 109.5° | 109.5° |
| C34 | C35 | H42 | 109.5° | 109.5° |
| C34 | C35 | H43 | 109.4° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.0° |
| H8 | C12 | H9 | 109.5° | 109.6° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.4° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.4° | 109.4° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H35 | 109.4° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H36 | C32 | H38 | 109.4° | 109.4° |
| H37 | C32 | H38 | 109.5° | 109.5° |
| H39 | C34 | H40 | 109.5° | 109.5° |
| H41 | C35 | H42 | 109.4° | 109.5° |
| H41 | C35 | H43 | 109.5° | 109.5° |
| H42 | C35 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H28 | 180.0° | 179.7° |
| C27 | C26 | C25 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C30 | 179.9° | 180.0° |
| C26 | C27 | C28 | C23 | 1.1° | 0.6° |
| C27 | C26 | C25 | C24 | 0.6° | 0.0° |
| C27 | C26 | C25 | H26 | 179.4° | 179.9° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C27 | C28 | C30 | C23 | 179.0° | 179.4° |
| C27 | C28 | C30 | C31 | 108.4° | 95.5° |
| C27 | C28 | C23 | C24 | 2.0° | 0.6° |
| C27 | C28 | C23 | N8 | 179.4° | 179.7° |
| C28 | C27 | C26 | H27 | 179.6° | 179.8° |
| C27 | C28 | C30 | H31 | 131.0° | 24.5° |
| C27 | C28 | C30 | H32 | 12.3° | 144.5° |
| C26 | C25 | C24 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.5° | 0.0° |
| C26 | C25 | C24 | C29 | 179.6° | 180.0° |
| C25 | C26 | C27 | H28 | 179.6° | 180.0° |
| C28 | C30 | C31 | H31 | 120.6° | 120.1° |
| C28 | C30 | C31 | H32 | 120.7° | 120.0° |
| C30 | C28 | C23 | C24 | 178.9° | 180.0° |
| C30 | C28 | C23 | N8 | 1.5° | 0.3° |
| C30 | C28 | C27 | H28 | 0.2° | 0.3° |
| C28 | C30 | H31 | H32 | 118.1° | 120.0° |
| C28 | C30 | C31 | H33 | 180.0° | 55.0° |
| C28 | C30 | C31 | H34 | 60.0° | 65.0° |
| C28 | C30 | C31 | H35 | 60.0° | 175.0° |
| C31 | C30 | C28 | C23 | 70.7° | 83.9° |
| C31 | C30 | H31 | H32 | 118.1° | 119.9° |
| C30 | C31 | H33 | H34 | 120.0° | 120.0° |
| C30 | C31 | H33 | H35 | 120.0° | 120.0° |
| C30 | C31 | H34 | H35 | 120.0° | 120.0° |
| C28 | C23 | C24 | C25 | 2.2° | 0.3° |
| C28 | C23 | C24 | N8 | 177.4° | 179.7° |
| C28 | C23 | C24 | C29 | 179.7° | 179.8° |
| C28 | C23 | N8 | C7 | 91.4° | 118.4° |
| C28 | C23 | N8 | H25 | 88.6° | 61.6° |
| C23 | C28 | C27 | H28 | 178.9° | 179.7° |
| C23 | C28 | C30 | H31 | 49.9° | 156.1° |
| C23 | C28 | C30 | H32 | 168.7° | 36.1° |
| C25 | C24 | C23 | C29 | 178.0° | 179.9° |
| C25 | C24 | C23 | N8 | 179.7° | 180.0° |
| C25 | C24 | C29 | C32 | 60.4° | 15.2° |
| C24 | C25 | C26 | H27 | 179.4° | 180.0° |
| C25 | C24 | C29 | H29 | 178.9° | 104.8° |
| C25 | C24 | C29 | H30 | 60.4° | 135.2° |
| C24 | C23 | N8 | C7 | 86.1° | 61.3° |
| C23 | C24 | C29 | C32 | 121.7° | 164.8° |
| C24 | C23 | N8 | H25 | 93.9° | 118.7° |
| C23 | C24 | C25 | H26 | 178.5° | 179.9° |
| C23 | C24 | C29 | H29 | 1.0° | 75.1° |
| C23 | C24 | C29 | H30 | 117.6° | 44.9° |
| N8 | C23 | C24 | C29 | 2.3° | 0.1° |
| C23 | N8 | C7 | H25 | 180.0° | 180.0° |
| C23 | N8 | C7 | O1 | 9.3° | 5.4° |
| C23 | N8 | C7 | C8 | 169.7° | 174.6° |
| C24 | C29 | C32 | H29 | 120.7° | 120.1° |
| C24 | C29 | C32 | H30 | 120.7° | 120.0° |
| C29 | C24 | C25 | H26 | 0.4° | 0.1° |
| C24 | C29 | H29 | H30 | 117.8° | 120.0° |
| C24 | C29 | C32 | H36 | 180.0° | 55.6° |
| C24 | C29 | C32 | H37 | 60.0° | 64.5° |
| C24 | C29 | C32 | H38 | 60.0° | 175.6° |
| N8 | C7 | O1 | C8 | 179.0° | 180.0° |
| N8 | C7 | C8 | C13 | 166.3° | 180.0° |
| N8 | C7 | C8 | C9 | 14.5° | 0.0° |
| O1 | C7 | C8 | C13 | 14.6° | 0.0° |
| O1 | C7 | C8 | C9 | 164.6° | 180.0° |
| O1 | C7 | N8 | H25 | 170.7° | 174.6° |
| C32 | C29 | H29 | H30 | 117.8° | 120.0° |
| C29 | C32 | H36 | H37 | 120.0° | 120.0° |
| C29 | C32 | H36 | H38 | 120.0° | 120.0° |
| C29 | C32 | H37 | H38 | 120.0° | 120.0° |
| C7 | C8 | C13 | C9 | 179.3° | 180.0° |
| C7 | C8 | C13 | C12 | 1.4° | 0.9° |
| C7 | C8 | C13 | N1 | 179.6° | 179.3° |
| C7 | C8 | C9 | C10 | 179.7° | 179.7° |
| C7 | C8 | C9 | H6 | 0.3° | 0.2° |
| C8 | C7 | N8 | H25 | 10.3° | 5.4° |
| C8 | C13 | C12 | N1 | 178.8° | 179.7° |
| C8 | C13 | C12 | C11 | 159.7° | 148.4° |
| C13 | C8 | C9 | C10 | 0.4° | 0.3° |
| C8 | C13 | N1 | C10 | 0.1° | 0.9° |
| C8 | C13 | N1 | C16 | 179.9° | 178.3° |
| C13 | C8 | C9 | H6 | 179.6° | 179.8° |
| C8 | C13 | C12 | H8 | 39.4° | 28.5° |
| C8 | C13 | C12 | H9 | 79.9° | 91.8° |
| C9 | C8 | C13 | C12 | 179.2° | 179.1° |
| C9 | C8 | C13 | N1 | 0.3° | 0.7° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C8 | C9 | C10 | N1 | 0.3° | 0.2° |
| C8 | C9 | C10 | H7 | 179.7° | 179.8° |
| C13 | C12 | C11 | H8 | 120.4° | 119.9° |
| C13 | C12 | C11 | H9 | 120.4° | 119.9° |
| C13 | C12 | C11 | C15 | 31.2° | 44.0° |
| C12 | C13 | N1 | C10 | 179.2° | 178.9° |
| C12 | C13 | N1 | C16 | 0.9° | 1.9° |
| C13 | C12 | C11 | H4 | 89.8° | 164.6° |
| C13 | C12 | C11 | H5 | 152.1° | 76.5° |
| C13 | C12 | H8 | H9 | 118.9° | 120.3° |
| C11 | C12 | C13 | N1 | 21.5° | 31.8° |
| C12 | C11 | C15 | H4 | 121.0° | 120.6° |
| C12 | C11 | C15 | H5 | 121.0° | 120.5° |
| C12 | C11 | C15 | C16 | 23.1° | 32.9° |
| C12 | C11 | C15 | C14 | 158.5° | 147.4° |
| C12 | C11 | H4 | H5 | 117.0° | 119.0° |
| C11 | C12 | H8 | H9 | 118.9° | 120.2° |
| C13 | N1 | C10 | C9 | 0.1° | 0.7° |
| C13 | N1 | C10 | C16 | 179.9° | 179.1° |
| C13 | N1 | C16 | C15 | 10.2° | 14.5° |
| C13 | N1 | C16 | N3 | 169.3° | 165.1° |
| C13 | N1 | C10 | H7 | 179.9° | 179.3° |
| N1 | C13 | C12 | H8 | 141.8° | 151.7° |
| N1 | C13 | C12 | H9 | 98.9° | 88.0° |
| C9 | C10 | N1 | H7 | 180.0° | 180.0° |
| C9 | C10 | N1 | C16 | 179.8° | 178.4° |
| C11 | C15 | C16 | N1 | 1.6° | 2.3° |
| C11 | C15 | C16 | C14 | 178.5° | 179.7° |
| C11 | C15 | C16 | N3 | 178.9° | 178.1° |
| C11 | C15 | C14 | N4 | 179.3° | 178.7° |
| C11 | C15 | C14 | H2 | 0.7° | 1.6° |
| C15 | C11 | H4 | H5 | 117.0° | 118.9° |
| C15 | C11 | C12 | H8 | 151.5° | 163.9° |
| C15 | C11 | C12 | H9 | 89.2° | 75.8° |
| C10 | N1 | C16 | C15 | 169.8° | 164.4° |
| C10 | N1 | C16 | N3 | 10.7° | 16.0° |
| N1 | C10 | C9 | H6 | 179.7° | 179.7° |
| N1 | C16 | C15 | N3 | 179.5° | 179.6° |
| N1 | C16 | C15 | C14 | 179.9° | 177.9° |
| N1 | C16 | N3 | C17 | 179.8° | 178.7° |
| C16 | N1 | C10 | H7 | 0.2° | 1.6° |
| C16 | C15 | C14 | N4 | 0.9° | 1.0° |
| C15 | C16 | N3 | C17 | 0.3° | 0.9° |
| C16 | C15 | C14 | H2 | 179.2° | 178.7° |
| C16 | C15 | C11 | H4 | 97.9° | 153.5° |
| C16 | C15 | C11 | H5 | 144.0° | 87.6° |
| C14 | C15 | C16 | N3 | 0.4° | 1.7° |
| C15 | C14 | N4 | H2 | 180.0° | 179.7° |
| C15 | C14 | N4 | C17 | 1.2° | 0.4° |
| C14 | C15 | C11 | H4 | 80.5° | 26.8° |
| C14 | C15 | C11 | H5 | 37.6° | 92.1° |
| C16 | N3 | C17 | N4 | 0.6° | 0.6° |
| C16 | N3 | C17 | N2 | 178.9° | 180.0° |
| C14 | N4 | C17 | N3 | 1.1° | 1.3° |
| C14 | N4 | C17 | N2 | 179.3° | 179.3° |
| N3 | C17 | N4 | N2 | 178.2° | 179.5° |
| N3 | C17 | N2 | C6 | 18.6° | 174.5° |
| N3 | C17 | N2 | H10 | 161.4° | 5.5° |
| N4 | C17 | N2 | C6 | 163.1° | 6.0° |
| C17 | N4 | C14 | H2 | 178.9° | 179.9° |
| N4 | C17 | N2 | H10 | 16.9° | 174.0° |
| C17 | N2 | C6 | C5 | 38.0° | 23.8° |
| C17 | N2 | C6 | H10 | 180.0° | 180.0° |
| C17 | N2 | C6 | C1 | 142.7° | 156.2° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | N2 | 179.9° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.7° | 0.1° |
| C5 | C4 | C3 | N6 | 178.1° | 179.8° |
| C5 | C4 | C3 | C2 | 1.2° | 0.2° |
| C5 | C6 | N2 | C1 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.2° |
| C5 | C6 | C1 | N5 | 179.2° | 180.0° |
| C6 | C5 | C4 | H1 | 179.0° | 179.8° |
| C5 | C6 | N2 | H10 | 142.0° | 156.1° |
| N2 | C6 | C1 | C2 | 180.0° | 179.7° |
| N2 | C6 | C1 | N5 | 0.2° | 0.0° |
| N2 | C6 | C5 | H3 | 0.1° | 0.0° |
| C4 | C3 | N6 | C18 | 6.1° | 123.8° |
| C4 | C3 | N6 | C2 | 176.8° | 180.0° |
| C4 | C3 | C2 | C1 | 1.1° | 0.5° |
| C4 | C3 | N6 | C21 | 178.3° | 0.0° |
| C3 | C4 | C5 | H3 | 178.9° | 180.0° |
| C4 | C3 | C2 | H11 | 178.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.5° |
| C6 | C1 | C2 | N5 | 179.8° | 179.7° |
| C6 | C1 | N5 | C33 | 122.3° | 157.0° |
| C1 | C6 | C5 | H3 | 179.2° | 180.0° |
| C1 | C6 | N2 | H10 | 37.3° | 23.8° |
| C6 | C1 | C2 | H11 | 179.2° | 179.9° |
| C6 | C1 | N5 | H12 | 57.7° | 22.9° |
| C19 | C18 | N6 | H13 | 120.6° | 120.0° |
| C19 | C18 | N6 | H14 | 120.6° | 120.0° |
| C19 | C18 | N6 | C3 | 147.6° | 176.8° |
| C18 | C19 | N7 | H15 | 120.1° | 120.0° |
| C18 | C19 | N7 | H16 | 120.2° | 120.0° |
| C19 | C18 | N6 | C21 | 39.7° | 59.3° |
| C18 | C19 | N7 | C22 | 173.1° | 176.8° |
| C18 | C19 | N7 | C20 | 64.7° | 59.3° |
| C19 | C18 | H13 | H14 | 118.3° | 120.0° |
| C18 | C19 | H15 | H16 | 119.5° | 120.1° |
| C18 | N6 | C3 | C21 | 172.2° | 123.8° |
| C18 | N6 | C3 | C2 | 170.7° | 56.2° |
| N6 | C18 | C19 | N7 | 52.5° | 58.4° |
| C18 | N6 | C21 | C20 | 39.3° | 59.3° |
| N6 | C18 | H13 | H14 | 118.3° | 120.0° |
| N6 | C18 | C19 | H15 | 67.6° | 61.5° |
| N6 | C18 | C19 | H16 | 172.7° | 178.4° |
| C18 | N6 | C21 | H20 | 81.3° | 60.7° |
| C18 | N6 | C21 | H21 | 159.8° | 179.3° |
| N6 | C3 | C2 | C1 | 177.9° | 179.5° |
| C3 | N6 | C21 | C20 | 148.1° | 176.8° |
| N6 | C3 | C4 | H1 | 1.9° | 0.0° |
| N6 | C3 | C2 | H11 | 2.1° | 0.0° |
| C3 | N6 | C18 | H13 | 91.8° | 56.8° |
| C3 | N6 | C18 | H14 | 27.1° | 63.2° |
| C3 | N6 | C21 | H20 | 91.4° | 63.2° |
| C3 | N6 | C21 | H21 | 27.6° | 56.8° |
| C3 | C2 | C1 | H11 | 180.0° | 179.4° |
| C3 | C2 | C1 | N5 | 178.9° | 179.7° |
| C2 | C3 | N6 | C21 | 1.5° | 180.0° |
| C2 | C3 | C4 | H1 | 178.8° | 180.0° |
| C19 | N7 | C22 | C20 | 119.9° | 123.8° |
| C19 | N7 | C20 | C21 | 64.5° | 59.3° |
| N7 | C19 | C18 | H13 | 68.0° | 178.4° |
| N7 | C19 | C18 | H14 | 173.1° | 61.6° |
| N7 | C19 | H15 | H16 | 119.6° | 120.0° |
| C19 | N7 | C20 | H18 | 55.7° | 60.6° |
| C19 | N7 | C20 | H19 | 175.3° | 179.3° |
| C19 | N7 | C22 | H22 | 180.0° | 60.0° |
| C19 | N7 | C22 | H23 | 60.0° | 180.0° |
| C19 | N7 | C22 | H24 | 60.0° | 60.0° |
| C2 | C1 | N5 | C33 | 57.9° | 22.7° |
| C2 | C1 | N5 | H12 | 122.1° | 157.4° |
| C1 | N5 | C33 | H12 | 180.0° | 179.9° |
| C1 | N5 | C33 | O2 | 6.0° | 5.5° |
| C1 | N5 | C33 | C34 | 173.8° | 174.5° |
| N5 | C1 | C2 | H11 | 1.0° | 0.3° |
| N6 | C21 | C20 | N7 | 51.8° | 58.4° |
| N6 | C21 | C20 | H20 | 120.5° | 120.0° |
| N6 | C21 | C20 | H21 | 120.5° | 120.0° |
| C21 | N6 | C18 | H13 | 80.9° | 179.3° |
| C21 | N6 | C18 | H14 | 160.2° | 60.7° |
| N6 | C21 | C20 | H18 | 68.4° | 61.6° |
| N6 | C21 | C20 | H19 | 172.0° | 178.4° |
| N6 | C21 | H20 | H21 | 118.3° | 120.1° |
| N5 | C33 | O2 | C34 | 179.8° | 180.0° |
| N5 | C33 | C34 | C35 | 71.6° | 180.0° |
| N5 | C33 | C34 | H39 | 49.0° | 60.0° |
| N5 | C33 | C34 | H40 | 167.8° | 60.0° |
| C22 | N7 | C20 | C21 | 173.4° | 176.8° |
| C22 | N7 | C19 | H15 | 66.8° | 63.2° |
| C22 | N7 | C19 | H16 | 52.9° | 56.8° |
| C22 | N7 | C20 | H18 | 66.4° | 63.3° |
| C22 | N7 | C20 | H19 | 53.2° | 56.8° |
| N7 | C22 | H22 | H23 | 120.0° | 120.0° |
| N7 | C22 | H22 | H24 | 120.0° | 120.0° |
| N7 | C22 | H23 | H24 | 120.0° | 120.0° |
| N7 | C20 | C21 | H18 | 120.2° | 119.9° |
| N7 | C20 | C21 | H19 | 120.2° | 120.0° |
| C20 | N7 | C19 | H15 | 55.4° | 60.7° |
| C20 | N7 | C19 | H16 | 175.1° | 179.3° |
| N7 | C20 | H18 | H19 | 119.4° | 120.1° |
| N7 | C20 | C21 | H20 | 68.7° | 61.6° |
| N7 | C20 | C21 | H21 | 172.4° | 178.4° |
| C20 | N7 | C22 | H22 | 60.1° | 176.2° |
| C20 | N7 | C22 | H23 | 59.9° | 56.2° |
| C20 | N7 | C22 | H24 | 179.9° | 63.8° |
| C21 | C20 | H18 | H19 | 119.4° | 120.1° |
| C20 | C21 | H20 | H21 | 118.4° | 120.0° |
| O2 | C33 | C34 | C35 | 108.7° | 0.0° |
| O2 | C33 | N5 | H12 | 174.0° | 174.4° |
| O2 | C33 | C34 | H39 | 130.7° | 120.0° |
| O2 | C33 | C34 | H40 | 11.9° | 120.0° |
| C33 | C34 | C35 | H39 | 120.6° | 119.9° |
| C33 | C34 | C35 | H40 | 120.6° | 120.0° |
| C34 | C33 | N5 | H12 | 6.2° | 5.6° |
| C33 | C34 | H39 | H40 | 118.1° | 119.9° |
| C33 | C34 | C35 | H41 | 180.0° | 180.0° |
| C33 | C34 | C35 | H42 | 60.0° | 60.0° |
| C33 | C34 | C35 | H43 | 60.0° | 60.0° |
| C35 | C34 | H39 | H40 | 118.1° | 120.1° |
| C34 | C35 | H41 | H42 | 120.0° | 120.0° |
| C34 | C35 | H41 | H43 | 120.0° | 120.0° |
| C34 | C35 | H42 | H43 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 1.1° | 0.2° |
| H4 | C11 | C12 | H8 | 30.6° | 75.6° |
| H4 | C11 | C12 | H9 | 149.8° | 44.7° |
| H5 | C11 | C12 | H8 | 87.5° | 43.4° |
| H5 | C11 | C12 | H9 | 31.7° | 163.7° |
| H6 | C9 | C10 | H7 | 0.3° | 0.3° |
| H13 | C18 | C19 | H15 | 171.8° | 58.4° |
| H13 | C18 | C19 | H16 | 52.2° | 61.7° |
| H14 | C18 | C19 | H15 | 52.9° | 178.4° |
| H14 | C18 | C19 | H16 | 66.7° | 58.3° |
| H18 | C20 | C21 | H20 | 171.1° | 178.5° |
| H18 | C20 | C21 | H21 | 52.2° | 58.5° |
| H19 | C20 | C21 | H20 | 51.5° | 58.4° |
| H19 | C20 | C21 | H21 | 67.5° | 61.6° |
| H22 | C22 | H23 | H24 | 120.0° | 120.0° |
| H26 | C25 | C26 | H27 | 0.6° | 0.1° |
| H27 | C26 | C27 | H28 | 0.4° | 0.1° |
| H29 | C29 | C32 | H36 | 59.3° | 175.6° |
| H29 | C29 | C32 | H37 | 179.3° | 55.6° |
| H29 | C29 | C32 | H38 | 60.7° | 64.4° |
| H30 | C29 | C32 | H36 | 59.3° | 64.4° |
| H30 | C29 | C32 | H37 | 60.7° | 175.6° |
| H30 | C29 | C32 | H38 | 179.3° | 55.6° |
| H31 | C30 | C31 | H33 | 59.4° | 175.0° |
| H31 | C30 | C31 | H34 | 179.4° | 55.1° |
| H31 | C30 | C31 | H35 | 60.6° | 64.9° |
| H32 | C30 | C31 | H33 | 59.4° | 65.0° |
| H32 | C30 | C31 | H34 | 60.7° | 175.0° |
| H32 | C30 | C31 | H35 | 179.3° | 55.0° |
| H33 | C31 | H34 | H35 | 120.0° | 120.0° |
| H36 | C32 | H37 | H38 | 120.0° | 119.9° |
| H39 | C34 | C35 | H41 | 59.4° | 60.1° |
| H39 | C34 | C35 | H42 | 179.4° | 179.9° |
| H39 | C34 | C35 | H43 | 60.6° | 59.9° |
| H40 | C34 | C35 | H41 | 59.4° | 60.0° |
| H40 | C34 | C35 | H42 | 60.6° | 60.0° |
| H40 | C34 | C35 | H43 | 179.4° | 180.0° |
| H41 | C35 | H42 | H43 | 120.0° | 120.0° |
