A1BH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C14 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | N5 | sing | 1.35Å | 1.32Å | |
| N5 | C17 | sing | 1.48Å | 1.48Å | |
| N5 | C13 | sing | 1.48Å | 1.48Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C18 | C12 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C19 | N4 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C11 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C10 | sing | 1.38Å | 1.33Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C10 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| N3 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| N6 | C20 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | N2 | sing | 1.38Å | 1.32Å | |
| C9 | N8 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.40Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N7 | sing | 1.40Å | 1.35Å | |
| N7 | C29 | sing | 1.47Å | 1.48Å | |
| N7 | C26 | sing | 1.47Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | O3 | sing | 1.43Å | 1.44Å | |
| C27 | O3 | sing | 1.43Å | 1.44Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C14 | C15 | 119.6° | 120.0° |
| O2 | C14 | N5 | 122.2° | 120.0° |
| C14 | C15 | C16 | 119.3° | 109.4° |
| C15 | C14 | N5 | 118.1° | 120.0° |
| C14 | C15 | H40 | 107.0° | 109.4° |
| C14 | C15 | H41 | 107.0° | 109.5° |
| C16 | C15 | H40 | 106.9° | 109.5° |
| C16 | C15 | H41 | 107.0° | 109.5° |
| C15 | C16 | H44 | 109.5° | 109.5° |
| C15 | C16 | H43 | 109.5° | 109.5° |
| C15 | C16 | H42 | 109.4° | 109.5° |
| C14 | N5 | C17 | 132.4° | 134.3° |
| C14 | N5 | C13 | 133.2° | 134.3° |
| C17 | N5 | C13 | 94.4° | 91.3° |
| N5 | C17 | C12 | 86.7° | 85.6° |
| N5 | C17 | H36 | 114.8° | 113.8° |
| N5 | C17 | H37 | 114.8° | 113.9° |
| N5 | C13 | C12 | 86.8° | 85.6° |
| N5 | C13 | H38 | 114.8° | 113.8° |
| N5 | C13 | H39 | 114.8° | 114.0° |
| C17 | C12 | C13 | 90.3° | 87.7° |
| C17 | C12 | C18 | 112.0° | 115.9° |
| C17 | C12 | C11 | 114.0° | 116.4° |
| C12 | C17 | H36 | 114.8° | 113.9° |
| C12 | C17 | H37 | 114.8° | 113.8° |
| C13 | C12 | C18 | 115.4° | 115.9° |
| C13 | C12 | C11 | 117.6° | 116.4° |
| C12 | C13 | H38 | 114.8° | 113.8° |
| C12 | C13 | H39 | 114.8° | 113.9° |
| C12 | C18 | C19 | 101.4° | 101.5° |
| C18 | C12 | C11 | 107.0° | 104.5° |
| C12 | C18 | H34 | 111.4° | 111.0° |
| C12 | C18 | H35 | 111.5° | 111.1° |
| C18 | C19 | N4 | 101.8° | 104.9° |
| C18 | C19 | H32 | 111.4° | 110.4° |
| C18 | C19 | H33 | 111.3° | 110.4° |
| C19 | C18 | H34 | 111.5° | 111.0° |
| C19 | C18 | H35 | 111.4° | 111.1° |
| C12 | C11 | N4 | 102.0° | 106.8° |
| C12 | C11 | H30 | 111.3° | 110.0° |
| C12 | C11 | H31 | 111.3° | 110.0° |
| C19 | N4 | C11 | 112.3° | 108.5° |
| C19 | N4 | C10 | 122.7° | 111.0° |
| N4 | C19 | H32 | 111.4° | 110.3° |
| N4 | C19 | H33 | 111.3° | 110.3° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C1 | C2 | C4 | 112.7° | 109.5° |
| C1 | C2 | H17 | 107.7° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C2 | C1 | H23 | 109.5° | 109.5° |
| C11 | N4 | C10 | 125.0° | 111.0° |
| N4 | C11 | H30 | 111.3° | 110.0° |
| N4 | C11 | H31 | 111.3° | 110.0° |
| N4 | C10 | N3 | 118.7° | 120.0° |
| N4 | C10 | N6 | 122.0° | 120.0° |
| C3 | C2 | C4 | 110.3° | 109.4° |
| C3 | C2 | H17 | 107.8° | 109.5° |
| C2 | C3 | H18 | 109.5° | 109.5° |
| C2 | C3 | H19 | 109.4° | 109.4° |
| C2 | C3 | H20 | 109.4° | 109.5° |
| C2 | C4 | C5 | 112.7° | 109.4° |
| C2 | C4 | H15 | 108.7° | 109.5° |
| C2 | C4 | H16 | 108.7° | 109.5° |
| C4 | C2 | H17 | 107.7° | 109.5° |
| O1 | C7 | N1 | 124.7° | 120.0° |
| O1 | C7 | C6 | 120.9° | 120.0° |
| C8 | N1 | C7 | 118.3° | 120.0° |
| C8 | N1 | H26 | 120.8° | 120.0° |
| N1 | C8 | H27 | 109.5° | 109.5° |
| N1 | C8 | H28 | 109.5° | 109.5° |
| N1 | C8 | H29 | 109.5° | 109.4° |
| C4 | C5 | C6 | 110.4° | 109.5° |
| C4 | C5 | N2 | 109.2° | 109.5° |
| C4 | C5 | H14 | 109.8° | 109.4° |
| C5 | C4 | H15 | 108.7° | 109.5° |
| C5 | C4 | H16 | 108.7° | 109.4° |
| N3 | C10 | N6 | 119.3° | 120.0° |
| C10 | N3 | C9 | 120.0° | 120.0° |
| C10 | N6 | C20 | 121.9° | 120.0° |
| N3 | C9 | N2 | 121.3° | 120.0° |
| N3 | C9 | N8 | 120.0° | 120.1° |
| N1 | C7 | C6 | 114.3° | 120.0° |
| C7 | N1 | H26 | 120.9° | 120.0° |
| C7 | C6 | C5 | 114.2° | 109.5° |
| C7 | C6 | H24 | 108.2° | 109.5° |
| C7 | C6 | H25 | 108.3° | 109.5° |
| C6 | C5 | N2 | 106.8° | 109.5° |
| C6 | C5 | H14 | 109.7° | 109.5° |
| C5 | C6 | H24 | 108.3° | 109.5° |
| C5 | C6 | H25 | 108.3° | 109.5° |
| C5 | N2 | C9 | 124.6° | 120.0° |
| C5 | N2 | H13 | 105.6° | 120.0° |
| N2 | C5 | H14 | 110.8° | 109.5° |
| N6 | C20 | N8 | 118.2° | 120.0° |
| N6 | C20 | C21 | 121.3° | 120.0° |
| N2 | C9 | N8 | 118.7° | 119.9° |
| C9 | N2 | H13 | 105.5° | 120.0° |
| C9 | N8 | C20 | 120.7° | 119.9° |
| N8 | C20 | C21 | 120.5° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C20 | C21 | C30 | 122.0° | 120.1° |
| C21 | C22 | C23 | 120.8° | 120.0° |
| C22 | C21 | C30 | 117.4° | 119.8° |
| C21 | C22 | H12 | 119.6° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.2° |
| C22 | C23 | H11 | 119.8° | 119.9° |
| C23 | C22 | H12 | 119.6° | 120.0° |
| C21 | C30 | C25 | 123.2° | 119.8° |
| C21 | C30 | H9 | 118.4° | 120.1° |
| C23 | C24 | C25 | 120.5° | 120.2° |
| C23 | C24 | H10 | 119.8° | 119.9° |
| C24 | C23 | H11 | 119.9° | 119.9° |
| C30 | C25 | C24 | 117.8° | 120.0° |
| C30 | C25 | N7 | 123.3° | 120.0° |
| C25 | C30 | H9 | 118.4° | 120.1° |
| C24 | C25 | N7 | 118.9° | 120.0° |
| C25 | C24 | H10 | 119.7° | 119.9° |
| C25 | N7 | C29 | 115.6° | 111.0° |
| C25 | N7 | C26 | 115.4° | 111.0° |
| C29 | N7 | C26 | 108.5° | 110.7° |
| N7 | C29 | C28 | 108.1° | 109.2° |
| N7 | C29 | H7 | 109.8° | 109.5° |
| N7 | C29 | H8 | 109.8° | 109.6° |
| N7 | C26 | C27 | 108.7° | 109.3° |
| N7 | C26 | H1 | 109.7° | 109.5° |
| N7 | C26 | H2 | 109.7° | 109.6° |
| C29 | C28 | O3 | 109.3° | 109.3° |
| C29 | C28 | H5 | 109.5° | 109.5° |
| C29 | C28 | H6 | 109.5° | 109.6° |
| C28 | C29 | H7 | 109.8° | 109.5° |
| C28 | C29 | H8 | 109.8° | 109.5° |
| C26 | C27 | O3 | 111.3° | 109.3° |
| C27 | C26 | H1 | 109.7° | 109.5° |
| C27 | C26 | H2 | 109.7° | 109.5° |
| C26 | C27 | H3 | 109.0° | 109.6° |
| C26 | C27 | H4 | 109.0° | 109.5° |
| C28 | O3 | C27 | 110.1° | 113.7° |
| O3 | C28 | H5 | 109.5° | 109.5° |
| O3 | C28 | H6 | 109.5° | 109.5° |
| O3 | C27 | H3 | 109.0° | 109.5° |
| O3 | C27 | H4 | 109.0° | 109.5° |
| H1 | C26 | H2 | 109.5° | 109.5° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C29 | H8 | 109.5° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H18 | C3 | H20 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.4° | 109.5° |
| H21 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.4° |
| H24 | C6 | H25 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.6° |
| H27 | C8 | H29 | 109.5° | 109.5° |
| H28 | C8 | H29 | 109.5° | 109.4° |
| H30 | C11 | H31 | 109.5° | 110.0° |
| H32 | C19 | H33 | 109.5° | 110.3° |
| H34 | C18 | H35 | 109.4° | 110.9° |
| H36 | C17 | H37 | 109.5° | 113.1° |
| H38 | C13 | H39 | 109.5° | 113.0° |
| H40 | C15 | H41 | 109.5° | 109.5° |
| H44 | C16 | H43 | 109.5° | 109.4° |
| H44 | C16 | H42 | 109.5° | 109.5° |
| H43 | C16 | H42 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C14 | C15 | N5 | 179.2° | 180.0° |
| O2 | C14 | C15 | C16 | 67.8° | 0.0° |
| O2 | C14 | N5 | C17 | 0.6° | 0.0° |
| O2 | C14 | N5 | C13 | 178.7° | 180.0° |
| O2 | C14 | C15 | H40 | 53.6° | 120.0° |
| O2 | C14 | C15 | H41 | 170.8° | 120.0° |
| C14 | C15 | C16 | H40 | 121.4° | 120.0° |
| C14 | C15 | C16 | H41 | 121.4° | 120.0° |
| C15 | C14 | N5 | C17 | 179.7° | 180.0° |
| C15 | C14 | N5 | C13 | 0.5° | 0.0° |
| C14 | C15 | H40 | H41 | 115.6° | 120.1° |
| C14 | C15 | C16 | H44 | 180.0° | 60.0° |
| C14 | C15 | C16 | H43 | 60.0° | 180.0° |
| C14 | C15 | C16 | H42 | 60.0° | 60.0° |
| C16 | C15 | C14 | N5 | 111.4° | 180.0° |
| C16 | C15 | H40 | H41 | 115.5° | 120.0° |
| C15 | C16 | H44 | H43 | 120.0° | 120.0° |
| C15 | C16 | H44 | H42 | 120.0° | 120.0° |
| C15 | C16 | H43 | H42 | 120.0° | 120.0° |
| C14 | N5 | C17 | C13 | 179.5° | 180.0° |
| C14 | N5 | C17 | C12 | 170.4° | 156.4° |
| C14 | N5 | C13 | C12 | 170.4° | 156.4° |
| C14 | N5 | C17 | H36 | 54.5° | 42.2° |
| C14 | N5 | C17 | H37 | 73.7° | 89.5° |
| C14 | N5 | C13 | H38 | 73.7° | 89.5° |
| C14 | N5 | C13 | H39 | 54.5° | 42.2° |
| N5 | C14 | C15 | H40 | 127.2° | 60.0° |
| N5 | C14 | C15 | H41 | 10.0° | 60.0° |
| N5 | C17 | C12 | H36 | 115.9° | 114.2° |
| N5 | C17 | C12 | H37 | 115.9° | 114.3° |
| C17 | N5 | C13 | C12 | 10.1° | 23.6° |
| N5 | C17 | C12 | C18 | 108.0° | 140.7° |
| N5 | C17 | C12 | C11 | 130.4° | 95.7° |
| N5 | C17 | H36 | H37 | 130.8° | 132.1° |
| C17 | N5 | C13 | H38 | 105.8° | 90.5° |
| C17 | N5 | C13 | H39 | 126.0° | 137.9° |
| N5 | C13 | C12 | H38 | 115.9° | 114.1° |
| N5 | C13 | C12 | H39 | 115.9° | 114.4° |
| N5 | C13 | C12 | C18 | 104.9° | 140.7° |
| N5 | C13 | C12 | C11 | 127.3° | 95.7° |
| C13 | N5 | C17 | H36 | 126.0° | 137.8° |
| C13 | N5 | C17 | H37 | 105.8° | 90.5° |
| N5 | C13 | H38 | H39 | 130.8° | 132.1° |
| C17 | C12 | C13 | C18 | 114.7° | 117.9° |
| C17 | C12 | C13 | C11 | 117.5° | 118.6° |
| C17 | C12 | C18 | C11 | 125.6° | 129.6° |
| C17 | C12 | C18 | C19 | 89.7° | 95.4° |
| C17 | C12 | C11 | N4 | 105.8° | 108.4° |
| C17 | C12 | C11 | H30 | 13.0° | 132.3° |
| C17 | C12 | C11 | H31 | 135.4° | 11.0° |
| C17 | C12 | C18 | H34 | 151.6° | 22.6° |
| C17 | C12 | C18 | H35 | 29.0° | 146.5° |
| C12 | C17 | H36 | H37 | 130.9° | 131.9° |
| C17 | C12 | C13 | H38 | 106.2° | 91.3° |
| C17 | C12 | C13 | H39 | 125.6° | 137.2° |
| C13 | C12 | C18 | C11 | 133.0° | 129.6° |
| C13 | C12 | C18 | C19 | 168.8° | 163.8° |
| C13 | C12 | C11 | N4 | 150.3° | 150.2° |
| C13 | C12 | C11 | H30 | 90.9° | 30.8° |
| C13 | C12 | C11 | H31 | 31.5° | 90.4° |
| C13 | C12 | C18 | H34 | 50.1° | 78.2° |
| C13 | C12 | C18 | H35 | 72.5° | 45.7° |
| C13 | C12 | C17 | H36 | 125.6° | 137.0° |
| C13 | C12 | C17 | H37 | 106.1° | 91.4° |
| C12 | C13 | H38 | H39 | 130.8° | 131.9° |
| C12 | C18 | C19 | H34 | 118.7° | 118.0° |
| C12 | C18 | C19 | H35 | 118.7° | 118.1° |
| C12 | C18 | C19 | N4 | 38.0° | 35.8° |
| C18 | C12 | C11 | N4 | 18.5° | 20.9° |
| C18 | C12 | C11 | H30 | 137.3° | 98.4° |
| C18 | C12 | C11 | H31 | 100.2° | 140.3° |
| C12 | C18 | C19 | H32 | 156.8° | 83.1° |
| C12 | C18 | C19 | H33 | 80.7° | 154.6° |
| C12 | C18 | H34 | H35 | 123.7° | 124.0° |
| C18 | C12 | C17 | H36 | 7.9° | 105.1° |
| C18 | C12 | C17 | H37 | 136.2° | 26.4° |
| C18 | C12 | C13 | H38 | 139.2° | 26.6° |
| C18 | C12 | C13 | H39 | 11.0° | 104.9° |
| C19 | C18 | C12 | C11 | 35.9° | 34.2° |
| C18 | C19 | N4 | H32 | 118.8° | 118.9° |
| C18 | C19 | N4 | H33 | 118.7° | 119.0° |
| C18 | C19 | N4 | C11 | 29.0° | 23.9° |
| C18 | C19 | N4 | C10 | 150.8° | 146.2° |
| C18 | C19 | H32 | H33 | 123.6° | 122.4° |
| C19 | C18 | H34 | H35 | 123.7° | 123.9° |
| C12 | C11 | N4 | C19 | 6.7° | 1.9° |
| C12 | C11 | N4 | H30 | 118.8° | 119.4° |
| C12 | C11 | N4 | H31 | 118.8° | 119.3° |
| C12 | C11 | N4 | C10 | 173.1° | 124.2° |
| C12 | C11 | H30 | H31 | 123.5° | 121.3° |
| C11 | C12 | C18 | H34 | 82.9° | 152.2° |
| C11 | C12 | C18 | H35 | 154.5° | 83.9° |
| C11 | C12 | C17 | H36 | 113.7° | 18.5° |
| C11 | C12 | C17 | H37 | 14.6° | 150.0° |
| C11 | C12 | C13 | H38 | 11.3° | 150.2° |
| C11 | C12 | C13 | H39 | 116.8° | 18.6° |
| C19 | N4 | C11 | C10 | 179.8° | 122.3° |
| C19 | N4 | C10 | N3 | 4.5° | 120.8° |
| C19 | N4 | C10 | N6 | 175.2° | 58.4° |
| C19 | N4 | C11 | H30 | 112.1° | 121.3° |
| C19 | N4 | C11 | H31 | 125.5° | 117.4° |
| N4 | C19 | H32 | H33 | 123.6° | 122.1° |
| N4 | C19 | C18 | H34 | 80.7° | 153.8° |
| N4 | C19 | C18 | H35 | 156.7° | 82.4° |
| C1 | C2 | C3 | C4 | 125.3° | 120.0° |
| C1 | C2 | C3 | H17 | 117.5° | 120.1° |
| C1 | C2 | C4 | H17 | 118.7° | 120.1° |
| C1 | C2 | C4 | C5 | 68.0° | 64.7° |
| C1 | C2 | C4 | H15 | 52.5° | 175.3° |
| C1 | C2 | C4 | H16 | 171.5° | 55.2° |
| C1 | C2 | C3 | H18 | 180.0° | 59.9° |
| C1 | C2 | C3 | H19 | 60.0° | 60.0° |
| C1 | C2 | C3 | H20 | 60.0° | 180.0° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H23 | 120.0° | 120.0° |
| C2 | C1 | H22 | H23 | 120.0° | 119.9° |
| C11 | N4 | C10 | N3 | 175.3° | 0.0° |
| C11 | N4 | C10 | N6 | 5.0° | 179.2° |
| N4 | C11 | H30 | H31 | 123.5° | 121.3° |
| C11 | N4 | C19 | H32 | 147.8° | 95.0° |
| C11 | N4 | C19 | H33 | 89.7° | 142.9° |
| N4 | C10 | N3 | N6 | 179.7° | 179.1° |
| N4 | C10 | N3 | C9 | 180.0° | 180.0° |
| N4 | C10 | N6 | C20 | 178.9° | 179.7° |
| C10 | N4 | C11 | H30 | 68.1° | 116.4° |
| C10 | N4 | C11 | H31 | 54.3° | 4.9° |
| C10 | N4 | C19 | H32 | 32.1° | 27.2° |
| C10 | N4 | C19 | H33 | 90.4° | 94.9° |
| C3 | C2 | C4 | H17 | 117.3° | 119.9° |
| C3 | C2 | C4 | C5 | 168.0° | 175.3° |
| C3 | C2 | C4 | H15 | 71.5° | 55.3° |
| C3 | C2 | C4 | H16 | 47.5° | 64.7° |
| C2 | C3 | H18 | H19 | 120.0° | 119.9° |
| C2 | C3 | H18 | H20 | 120.0° | 120.0° |
| C2 | C3 | H19 | H20 | 120.0° | 120.0° |
| C3 | C2 | C1 | H21 | 180.0° | 63.1° |
| C3 | C2 | C1 | H22 | 60.0° | 176.9° |
| C3 | C2 | C1 | H23 | 60.0° | 57.0° |
| C2 | C4 | C5 | H15 | 120.5° | 120.0° |
| C2 | C4 | C5 | H16 | 120.5° | 120.0° |
| C2 | C4 | C5 | C6 | 175.3° | 173.8° |
| C2 | C4 | C5 | N2 | 58.1° | 66.2° |
| C2 | C4 | C5 | H14 | 63.6° | 53.8° |
| C2 | C4 | H15 | H16 | 118.6° | 120.1° |
| C4 | C2 | C3 | H18 | 54.8° | 60.0° |
| C4 | C2 | C3 | H19 | 65.3° | 180.0° |
| C4 | C2 | C3 | H20 | 174.7° | 60.0° |
| C4 | C2 | C1 | H21 | 56.2° | 56.8° |
| C4 | C2 | C1 | H22 | 176.1° | 63.2° |
| C4 | C2 | C1 | H23 | 63.9° | 176.9° |
| O1 | C7 | N1 | C8 | 2.7° | 0.0° |
| O1 | C7 | N1 | C6 | 176.5° | 180.0° |
| O1 | C7 | C6 | C5 | 64.2° | 0.0° |
| O1 | C7 | C6 | H24 | 56.5° | 120.0° |
| O1 | C7 | C6 | H25 | 175.1° | 120.0° |
| O1 | C7 | N1 | H26 | 177.3° | 180.0° |
| C8 | N1 | C7 | H26 | 180.0° | 179.9° |
| C8 | N1 | C7 | C6 | 179.2° | 180.0° |
| N1 | C8 | H27 | H28 | 120.0° | 120.0° |
| N1 | C8 | H27 | H29 | 120.0° | 120.0° |
| N1 | C8 | H28 | H29 | 120.0° | 119.9° |
| C4 | C5 | C6 | C7 | 69.8° | 175.0° |
| C4 | C5 | C6 | N2 | 118.6° | 120.0° |
| C4 | C5 | C6 | H14 | 121.2° | 120.0° |
| C4 | C5 | N2 | H14 | 121.1° | 120.0° |
| C4 | C5 | N2 | C9 | 109.1° | 105.2° |
| C4 | C5 | N2 | H13 | 128.9° | 74.8° |
| C5 | C4 | H15 | H16 | 118.5° | 120.0° |
| C5 | C4 | C2 | H17 | 50.7° | 55.4° |
| C4 | C5 | C6 | H24 | 169.5° | 55.0° |
| C4 | C5 | C6 | H25 | 50.9° | 65.0° |
| N3 | C10 | N6 | C20 | 0.7° | 0.5° |
| C10 | N3 | C9 | N2 | 179.1° | 179.4° |
| C10 | N3 | C9 | N8 | 0.9° | 0.6° |
| N6 | C10 | N3 | C9 | 0.3° | 0.8° |
| C10 | N6 | C20 | N8 | 1.2° | 0.0° |
| C10 | N6 | C20 | C21 | 180.0° | 179.7° |
| N3 | C9 | N2 | C5 | 2.8° | 178.7° |
| N3 | C9 | N2 | N8 | 180.0° | 180.0° |
| N3 | C9 | N8 | C20 | 0.4° | 0.0° |
| N3 | C9 | N2 | H13 | 119.2° | 1.3° |
| N1 | C7 | C6 | C5 | 119.1° | 180.0° |
| N1 | C7 | C6 | H24 | 120.2° | 60.0° |
| N1 | C7 | C6 | H25 | 1.6° | 60.0° |
| C7 | N1 | C8 | H27 | 180.0° | 180.0° |
| C7 | N1 | C8 | H28 | 60.0° | 59.9° |
| C7 | N1 | C8 | H29 | 60.0° | 60.0° |
| C7 | C6 | C5 | H24 | 120.7° | 120.0° |
| C7 | C6 | C5 | H25 | 120.7° | 120.0° |
| C7 | C6 | C5 | N2 | 171.6° | 65.0° |
| C7 | C6 | C5 | H14 | 51.4° | 55.0° |
| C7 | C6 | H24 | H25 | 117.8° | 120.0° |
| C6 | C7 | N1 | H26 | 0.8° | 0.0° |
| C6 | C5 | N2 | H14 | 119.5° | 120.0° |
| C6 | C5 | N2 | C9 | 131.5° | 134.8° |
| C6 | C5 | N2 | H13 | 9.5° | 45.3° |
| C6 | C5 | C4 | H15 | 64.3° | 66.2° |
| C6 | C5 | C4 | H16 | 54.8° | 53.8° |
| C5 | C6 | H24 | H25 | 117.8° | 120.0° |
| C5 | N2 | C9 | H13 | 122.1° | 179.9° |
| C5 | N2 | C9 | N8 | 177.1° | 1.4° |
| N2 | C5 | C4 | H15 | 178.6° | 53.8° |
| N2 | C5 | C4 | H16 | 62.4° | 173.9° |
| N2 | C5 | C6 | H24 | 50.9° | 175.0° |
| N2 | C5 | C6 | H25 | 67.7° | 55.0° |
| N6 | C20 | N8 | C9 | 0.7° | 0.3° |
| N6 | C20 | N8 | C21 | 178.8° | 179.7° |
| N6 | C20 | C21 | C22 | 39.6° | 0.8° |
| N6 | C20 | C21 | C30 | 139.8° | 178.9° |
| N2 | C9 | N8 | C20 | 179.7° | 180.0° |
| C9 | N2 | C5 | H14 | 12.0° | 14.8° |
| C9 | N8 | C20 | C21 | 179.5° | 180.0° |
| N8 | C9 | N2 | H13 | 60.8° | 178.7° |
| N8 | C20 | C21 | C22 | 141.6° | 179.5° |
| N8 | C20 | C21 | C30 | 39.0° | 0.8° |
| C20 | C21 | C22 | C30 | 179.4° | 179.7° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C30 | C25 | 179.9° | 179.7° |
| C20 | C21 | C30 | H9 | 0.1° | 0.2° |
| C20 | C21 | C22 | H12 | 0.2° | 0.2° |
| C21 | C22 | C23 | H12 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.7° | 0.3° |
| C22 | C21 | C30 | C25 | 0.7° | 0.0° |
| C22 | C21 | C30 | H9 | 179.3° | 180.0° |
| C21 | C22 | C23 | H11 | 179.3° | 179.7° |
| C23 | C22 | C21 | C30 | 0.3° | 0.3° |
| C22 | C23 | C24 | H11 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.4° | 0.0° |
| C22 | C23 | C24 | H10 | 178.6° | 180.0° |
| C21 | C30 | C25 | H9 | 180.0° | 180.0° |
| C21 | C30 | C25 | C24 | 1.4° | 0.2° |
| C21 | C30 | C25 | N7 | 178.1° | 180.0° |
| C30 | C21 | C22 | H12 | 179.7° | 180.0° |
| C23 | C24 | C25 | C30 | 1.7° | 0.2° |
| C23 | C24 | C25 | H10 | 180.0° | 179.9° |
| C23 | C24 | C25 | N7 | 178.6° | 180.0° |
| C24 | C23 | C22 | H12 | 179.3° | 180.0° |
| C30 | C25 | C24 | N7 | 176.9° | 179.8° |
| C30 | C25 | N7 | C29 | 4.0° | 180.0° |
| C30 | C25 | N7 | C26 | 132.1° | 56.4° |
| C30 | C25 | C24 | H10 | 178.3° | 179.7° |
| C24 | C25 | N7 | C29 | 179.3° | 0.2° |
| C24 | C25 | N7 | C26 | 51.3° | 123.4° |
| C24 | C25 | C30 | H9 | 178.6° | 179.8° |
| C25 | C24 | C23 | H11 | 178.6° | 180.0° |
| C25 | N7 | C29 | C26 | 131.4° | 123.7° |
| C25 | N7 | C29 | C28 | 166.2° | 177.6° |
| C25 | N7 | C26 | C27 | 168.8° | 177.6° |
| C25 | N7 | C26 | H1 | 71.4° | 57.7° |
| C25 | N7 | C26 | H2 | 48.9° | 62.4° |
| C25 | N7 | C29 | H7 | 46.5° | 62.5° |
| C25 | N7 | C29 | H8 | 74.0° | 57.7° |
| N7 | C25 | C30 | H9 | 1.9° | 0.0° |
| N7 | C25 | C24 | H10 | 1.4° | 0.1° |
| N7 | C29 | C28 | H7 | 119.8° | 119.9° |
| N7 | C29 | C28 | H8 | 119.8° | 120.0° |
| C29 | N7 | C26 | C27 | 59.7° | 58.6° |
| N7 | C29 | C28 | O3 | 62.6° | 56.9° |
| C29 | N7 | C26 | H1 | 60.1° | 178.6° |
| C29 | N7 | C26 | H2 | 179.6° | 61.3° |
| N7 | C29 | C28 | H5 | 57.3° | 176.8° |
| N7 | C29 | C28 | H6 | 177.4° | 63.1° |
| N7 | C29 | H7 | H8 | 120.7° | 120.2° |
| C26 | N7 | C29 | C28 | 62.4° | 58.7° |
| N7 | C26 | C27 | H1 | 119.9° | 119.9° |
| N7 | C26 | C27 | H2 | 119.9° | 120.0° |
| N7 | C26 | C27 | O3 | 58.1° | 56.9° |
| N7 | C26 | H1 | H2 | 120.4° | 120.2° |
| N7 | C26 | C27 | H3 | 178.3° | 176.8° |
| N7 | C26 | C27 | H4 | 62.2° | 63.0° |
| C26 | N7 | C29 | H7 | 177.8° | 61.2° |
| C26 | N7 | C29 | H8 | 57.4° | 178.6° |
| C29 | C28 | O3 | H5 | 120.0° | 119.9° |
| C29 | C28 | O3 | H6 | 120.0° | 120.0° |
| C29 | C28 | O3 | C27 | 60.5° | 58.7° |
| C29 | C28 | H5 | H6 | 120.1° | 120.1° |
| C28 | C29 | H7 | H8 | 120.6° | 120.0° |
| C26 | C27 | O3 | C28 | 58.6° | 58.6° |
| C26 | C27 | O3 | H3 | 120.3° | 120.0° |
| C26 | C27 | O3 | H4 | 120.3° | 119.9° |
| C27 | C26 | H1 | H2 | 120.4° | 120.0° |
| C26 | C27 | H3 | H4 | 119.2° | 120.1° |
| C28 | O3 | C27 | H3 | 178.9° | 178.7° |
| C28 | O3 | C27 | H4 | 61.7° | 61.3° |
| O3 | C28 | H5 | H6 | 120.1° | 120.1° |
| O3 | C28 | C29 | H7 | 177.6° | 63.1° |
| O3 | C28 | C29 | H8 | 57.1° | 176.9° |
| O3 | C27 | C26 | H1 | 61.8° | 176.8° |
| O3 | C27 | C26 | H2 | 177.9° | 63.2° |
| O3 | C27 | H3 | H4 | 119.2° | 120.0° |
| C27 | O3 | C28 | H5 | 59.5° | 178.6° |
| C27 | O3 | C28 | H6 | 179.5° | 61.3° |
| H1 | C26 | C27 | H3 | 58.4° | 63.3° |
| H1 | C26 | C27 | H4 | 177.9° | 56.9° |
| H2 | C26 | C27 | H3 | 61.8° | 56.8° |
| H2 | C26 | C27 | H4 | 57.6° | 176.9° |
| H5 | C28 | C29 | H7 | 62.5° | 56.8° |
| H5 | C28 | C29 | H8 | 177.1° | 63.2° |
| H6 | C28 | C29 | H7 | 57.6° | 176.9° |
| H6 | C28 | C29 | H8 | 62.8° | 56.9° |
| H10 | C24 | C23 | H11 | 1.4° | 0.1° |
| H11 | C23 | C22 | H12 | 0.7° | 0.0° |
| H13 | N2 | C5 | H14 | 110.0° | 165.3° |
| H14 | C5 | C4 | H15 | 56.9° | 173.8° |
| H14 | C5 | C4 | H16 | 175.9° | 66.2° |
| H14 | C5 | C6 | H24 | 69.3° | 65.0° |
| H14 | C5 | C6 | H25 | 172.1° | 175.1° |
| H15 | C4 | C2 | H17 | 171.1° | 64.6° |
| H16 | C4 | C2 | H17 | 69.8° | 175.3° |
| H17 | C2 | C3 | H18 | 62.5° | 180.0° |
| H17 | C2 | C3 | H19 | 177.5° | 60.0° |
| H17 | C2 | C3 | H20 | 57.5° | 59.9° |
| H17 | C2 | C1 | H21 | 62.5° | 176.9° |
| H17 | C2 | C1 | H22 | 57.5° | 56.9° |
| H17 | C2 | C1 | H23 | 177.5° | 63.0° |
| H18 | C3 | H19 | H20 | 120.0° | 120.0° |
| H21 | C1 | H22 | H23 | 120.0° | 120.0° |
| H26 | N1 | C8 | H27 | 0.0° | 0.1° |
| H26 | N1 | C8 | H28 | 120.0° | 120.0° |
| H26 | N1 | C8 | H29 | 120.0° | 120.1° |
| H27 | C8 | H28 | H29 | 120.0° | 120.0° |
| H32 | C19 | C18 | H34 | 38.1° | 35.0° |
| H32 | C19 | C18 | H35 | 84.5° | 158.8° |
| H33 | C19 | C18 | H34 | 160.6° | 87.3° |
| H33 | C19 | C18 | H35 | 38.0° | 36.5° |
| H40 | C15 | C16 | H44 | 58.6° | 59.9° |
| H40 | C15 | C16 | H43 | 178.6° | 60.0° |
| H40 | C15 | C16 | H42 | 61.4° | 180.0° |
| H41 | C15 | C16 | H44 | 58.6° | 180.0° |
| H41 | C15 | C16 | H43 | 61.4° | 60.0° |
| H41 | C15 | C16 | H42 | 178.6° | 60.0° |
| H44 | C16 | H43 | H42 | 120.0° | 120.0° |
