H7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C18 | sing | 1.74Å | 1.61Å | |
| C11 | N4 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| N4 | C9 | sing | 1.47Å | 1.49Å | |
| N4 | C10 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.52Å | |
| C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N3 | sing | 1.47Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| N3 | C6 | sing | 1.35Å | 1.43Å | |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.52Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| N5 | C14 | doub | 1.29Å | 1.31Å | |
| N5 | C4 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C14 | C21 | sing | 1.47Å | 1.56Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C21 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N2 | doub | 1.30Å | 1.37Å | Aromatic |
| C3 | N6 | sing | 1.36Å | 1.34Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.35Å | Aromatic |
| N6 | C22 | sing | 1.40Å | 1.50Å | |
| N6 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| N1 | C2 | doub | 1.31Å | 1.36Å | Aromatic |
| C25 | O2 | sing | 1.36Å | 1.39Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C26 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C18 | C19 | 122.9° | 119.8° |
| CL1 | C18 | C17 | 121.9° | 119.9° |
| C11 | N4 | C9 | 112.5° | 111.0° |
| C11 | N4 | C10 | 111.0° | 111.0° |
| N4 | C11 | H5 | 109.5° | 109.5° |
| N4 | C11 | H6 | 109.4° | 109.5° |
| N4 | C11 | H7 | 109.5° | 109.5° |
| C18 | C19 | C20 | 121.8° | 120.0° |
| C19 | C18 | C17 | 115.2° | 120.3° |
| C18 | C19 | H28 | 119.1° | 120.0° |
| C19 | C20 | C15 | 121.7° | 119.9° |
| C20 | C19 | H28 | 119.1° | 120.0° |
| C19 | C20 | H29 | 119.1° | 120.0° |
| C9 | N4 | C10 | 116.6° | 111.0° |
| N4 | C9 | C8 | 111.4° | 109.4° |
| N4 | C9 | C12 | 112.5° | 109.4° |
| N4 | C9 | H12 | 108.0° | 109.5° |
| N4 | C10 | H13 | 109.5° | 109.4° |
| N4 | C10 | H14 | 109.5° | 109.5° |
| N4 | C10 | H15 | 109.4° | 109.5° |
| C18 | C17 | C16 | 122.7° | 120.1° |
| C18 | C17 | H27 | 118.7° | 120.0° |
| C8 | C9 | C12 | 109.6° | 109.5° |
| C9 | C8 | C7 | 110.9° | 109.3° |
| C9 | C8 | H10 | 109.1° | 109.5° |
| C9 | C8 | H11 | 109.1° | 109.5° |
| C8 | C9 | H12 | 107.5° | 109.5° |
| C9 | C12 | C13 | 111.2° | 109.3° |
| C12 | C9 | H12 | 107.5° | 109.5° |
| C9 | C12 | H16 | 109.0° | 109.6° |
| C9 | C12 | H17 | 109.0° | 109.5° |
| C8 | C7 | N3 | 109.1° | 108.8° |
| C8 | C7 | H8 | 109.6° | 109.6° |
| C8 | C7 | H9 | 109.6° | 109.7° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C7 | C8 | H11 | 109.1° | 109.5° |
| C7 | N3 | C13 | 115.5° | 118.7° |
| C7 | N3 | C6 | 121.3° | 120.6° |
| N3 | C7 | H8 | 109.6° | 109.6° |
| N3 | C7 | H9 | 109.6° | 109.6° |
| C20 | C15 | C16 | 117.1° | 119.8° |
| C20 | C15 | C14 | 118.9° | 120.1° |
| C15 | C20 | H29 | 119.1° | 120.1° |
| C12 | C13 | N3 | 108.9° | 108.8° |
| C13 | C12 | H16 | 109.0° | 109.5° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C12 | C13 | H18 | 109.6° | 109.6° |
| C12 | C13 | H19 | 109.6° | 109.6° |
| C13 | N3 | C6 | 122.6° | 120.6° |
| N3 | C13 | H18 | 109.6° | 109.6° |
| N3 | C13 | H19 | 109.6° | 109.6° |
| C17 | C16 | C15 | 121.3° | 119.9° |
| C17 | C16 | H26 | 119.3° | 120.1° |
| C16 | C17 | H27 | 118.6° | 120.0° |
| N3 | C6 | O1 | 118.5° | 120.0° |
| N3 | C6 | C5 | 119.2° | 120.0° |
| C16 | C15 | C14 | 123.8° | 120.1° |
| C15 | C16 | H26 | 119.3° | 120.0° |
| C15 | C14 | N5 | 118.5° | 116.0° |
| C15 | C14 | C21 | 117.5° | 116.0° |
| O1 | C6 | C5 | 122.2° | 120.0° |
| C6 | C5 | C4 | 110.1° | 109.4° |
| C6 | C5 | H3 | 109.3° | 109.5° |
| C6 | C5 | H4 | 109.3° | 109.4° |
| C14 | N5 | C4 | 121.5° | 121.9° |
| N5 | C14 | C21 | 120.2° | 128.0° |
| N5 | C4 | C5 | 108.0° | 109.9° |
| N5 | C4 | C3 | 105.3° | 107.7° |
| N5 | C4 | H1 | 110.1° | 109.8° |
| C5 | C4 | C3 | 113.6° | 109.8° |
| C5 | C4 | H1 | 109.5° | 109.8° |
| C4 | C5 | H3 | 109.3° | 109.5° |
| C4 | C5 | H4 | 109.3° | 109.5° |
| C14 | C21 | C27 | 117.2° | 118.0° |
| C14 | C21 | C22 | 123.7° | 123.1° |
| C4 | C3 | N2 | 129.9° | 127.4° |
| C4 | C3 | N6 | 122.8° | 125.1° |
| C3 | C4 | H1 | 110.2° | 109.8° |
| C27 | C21 | C22 | 119.1° | 118.9° |
| C21 | C27 | C25 | 121.9° | 120.5° |
| C21 | C27 | H35 | 119.1° | 119.8° |
| C21 | C22 | N6 | 124.4° | 121.7° |
| C21 | C22 | C23 | 118.3° | 120.0° |
| C27 | C25 | O2 | 117.7° | 120.0° |
| C27 | C25 | C24 | 119.5° | 120.1° |
| C25 | C27 | H35 | 119.1° | 119.7° |
| N2 | C3 | N6 | 107.1° | 107.4° |
| C3 | N2 | N1 | 107.7° | 109.6° |
| C3 | N6 | C22 | 122.6° | 126.1° |
| C3 | N6 | C2 | 109.9° | 106.1° |
| N2 | N1 | C2 | 109.3° | 109.9° |
| C22 | N6 | C2 | 127.4° | 127.8° |
| N6 | C22 | C23 | 117.1° | 118.3° |
| N6 | C2 | N1 | 106.0° | 106.9° |
| N6 | C2 | C1 | 129.9° | 126.6° |
| C22 | C23 | C24 | 122.1° | 120.5° |
| C22 | C23 | H30 | 119.0° | 119.7° |
| N1 | C2 | C1 | 124.1° | 126.5° |
| O2 | C25 | C24 | 122.9° | 119.9° |
| C25 | O2 | C26 | 120.7° | 117.0° |
| C25 | C24 | C23 | 119.2° | 119.9° |
| C25 | C24 | H31 | 120.4° | 120.1° |
| O2 | C26 | H32 | 109.5° | 109.5° |
| O2 | C26 | H33 | 109.5° | 109.5° |
| O2 | C26 | H34 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.4° |
| C2 | C1 | H22 | 109.4° | 109.5° |
| C24 | C23 | H30 | 119.0° | 119.7° |
| C23 | C24 | H31 | 120.4° | 120.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.6° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.6° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.7° |
| H20 | C1 | H21 | 109.4° | 109.5° |
| H20 | C1 | H22 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H32 | C26 | H34 | 109.4° | 109.4° |
| H33 | C26 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C18 | C19 | C17 | 179.7° | 180.0° |
| CL1 | C18 | C19 | C20 | 179.8° | 179.7° |
| CL1 | C18 | C17 | C16 | 179.8° | 180.0° |
| CL1 | C18 | C17 | H27 | 0.2° | 0.0° |
| CL1 | C18 | C19 | H28 | 0.3° | 0.0° |
| C11 | N4 | C9 | C10 | 129.9° | 123.9° |
| C11 | N4 | C9 | C8 | 158.4° | 180.0° |
| C11 | N4 | C9 | C12 | 78.1° | 60.0° |
| N4 | C11 | H5 | H6 | 120.0° | 120.0° |
| N4 | C11 | H5 | H7 | 120.0° | 120.0° |
| N4 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | N4 | C9 | H12 | 40.4° | 60.0° |
| C11 | N4 | C10 | H13 | 180.0° | 56.0° |
| C11 | N4 | C10 | H14 | 60.0° | 176.1° |
| C11 | N4 | C10 | H15 | 60.0° | 64.0° |
| C18 | C19 | C20 | H28 | 180.0° | 179.7° |
| C18 | C19 | C20 | C15 | 1.1° | 0.6° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | H27 | 180.0° | 180.0° |
| C18 | C19 | C20 | H29 | 178.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C19 | C20 | C15 | H29 | 180.0° | 179.4° |
| C19 | C20 | C15 | C16 | 2.2° | 0.6° |
| C19 | C20 | C15 | C14 | 177.6° | 179.7° |
| N4 | C9 | C8 | C12 | 125.2° | 120.0° |
| N4 | C9 | C8 | H12 | 118.2° | 120.0° |
| N4 | C9 | C12 | H12 | 118.8° | 120.0° |
| N4 | C9 | C8 | C7 | 175.6° | 178.7° |
| N4 | C9 | C12 | C13 | 175.5° | 178.6° |
| C9 | N4 | C11 | H5 | 180.0° | 60.0° |
| C9 | N4 | C11 | H6 | 60.0° | 180.0° |
| C9 | N4 | C11 | H7 | 60.0° | 59.9° |
| N4 | C9 | C8 | H10 | 55.4° | 61.4° |
| N4 | C9 | C8 | H11 | 64.1° | 58.7° |
| C9 | N4 | C10 | H13 | 49.3° | 179.9° |
| C9 | N4 | C10 | H14 | 169.4° | 60.0° |
| C9 | N4 | C10 | H15 | 70.7° | 60.0° |
| N4 | C9 | C12 | H16 | 64.2° | 61.4° |
| N4 | C9 | C12 | H17 | 55.3° | 58.7° |
| C10 | N4 | C9 | C8 | 71.7° | 56.1° |
| C10 | N4 | C9 | C12 | 51.8° | 176.1° |
| C10 | N4 | C11 | H5 | 47.3° | 176.0° |
| C10 | N4 | C11 | H6 | 167.3° | 56.1° |
| C10 | N4 | C11 | H7 | 72.7° | 64.0° |
| C10 | N4 | C9 | H12 | 170.4° | 63.9° |
| N4 | C10 | H13 | H14 | 120.0° | 120.0° |
| N4 | C10 | H13 | H15 | 120.0° | 120.0° |
| N4 | C10 | H14 | H15 | 120.0° | 120.0° |
| C18 | C17 | C16 | H27 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.1° | 0.0° |
| C18 | C17 | C16 | H26 | 178.9° | 179.9° |
| C17 | C18 | C19 | H28 | 180.0° | 180.0° |
| C8 | C9 | C12 | H12 | 116.6° | 120.0° |
| C9 | C8 | C7 | H10 | 120.2° | 119.9° |
| C9 | C8 | C7 | H11 | 120.2° | 120.0° |
| C9 | C8 | C7 | N3 | 54.9° | 54.6° |
| C8 | C9 | C12 | C13 | 59.9° | 61.4° |
| C9 | C8 | C7 | H8 | 65.0° | 65.1° |
| C9 | C8 | C7 | H9 | 174.9° | 174.5° |
| C9 | C8 | H10 | H11 | 119.3° | 120.1° |
| C8 | C9 | C12 | H16 | 60.4° | 58.6° |
| C8 | C9 | C12 | H17 | 179.8° | 178.7° |
| C12 | C9 | C8 | C7 | 59.2° | 61.4° |
| C9 | C12 | C13 | H16 | 120.3° | 120.0° |
| C9 | C12 | C13 | H17 | 120.3° | 119.9° |
| C9 | C12 | C13 | N3 | 55.9° | 54.7° |
| C12 | C9 | C8 | H10 | 179.5° | 58.6° |
| C12 | C9 | C8 | H11 | 61.0° | 178.7° |
| C9 | C12 | H16 | H17 | 119.2° | 120.0° |
| C9 | C12 | C13 | H18 | 175.8° | 174.5° |
| C9 | C12 | C13 | H19 | 64.0° | 65.1° |
| C8 | C7 | N3 | H8 | 119.9° | 119.8° |
| C8 | C7 | N3 | H9 | 119.9° | 120.0° |
| C8 | C7 | N3 | C13 | 53.9° | 53.6° |
| C8 | C7 | N3 | C6 | 134.5° | 126.4° |
| C8 | C7 | H8 | H9 | 120.2° | 120.4° |
| C7 | C8 | H10 | H11 | 119.3° | 120.1° |
| C7 | C8 | C9 | H12 | 57.4° | 58.7° |
| C7 | N3 | C13 | C12 | 54.3° | 53.6° |
| C7 | N3 | C13 | C6 | 171.5° | 179.9° |
| C7 | N3 | C6 | O1 | 9.7° | 0.0° |
| C7 | N3 | C6 | C5 | 173.2° | 180.0° |
| N3 | C7 | H8 | H9 | 120.2° | 120.3° |
| N3 | C7 | C8 | H10 | 175.2° | 65.3° |
| N3 | C7 | C8 | H11 | 65.3° | 174.6° |
| C7 | N3 | C13 | H18 | 174.2° | 173.4° |
| C7 | N3 | C13 | H19 | 65.6° | 66.2° |
| C20 | C15 | C16 | C17 | 2.2° | 0.3° |
| C20 | C15 | C16 | C14 | 175.2° | 179.7° |
| C20 | C15 | C14 | N5 | 37.8° | 155.2° |
| C20 | C15 | C14 | C21 | 164.1° | 24.7° |
| C20 | C15 | C16 | H26 | 177.8° | 179.8° |
| C15 | C20 | C19 | H28 | 178.9° | 179.8° |
| C12 | C13 | N3 | H18 | 119.9° | 119.8° |
| C12 | C13 | N3 | H19 | 119.9° | 119.8° |
| C12 | C13 | N3 | C6 | 134.2° | 126.3° |
| C13 | C12 | C9 | H12 | 56.7° | 58.6° |
| C13 | C12 | H16 | H17 | 119.2° | 120.1° |
| C12 | C13 | H18 | H19 | 120.3° | 120.4° |
| C13 | N3 | C6 | O1 | 179.3° | 180.0° |
| C13 | N3 | C6 | C5 | 2.1° | 0.1° |
| C13 | N3 | C7 | H8 | 66.1° | 66.2° |
| C13 | N3 | C7 | H9 | 173.8° | 173.6° |
| N3 | C13 | C12 | H16 | 64.3° | 65.4° |
| N3 | C13 | C12 | H17 | 176.2° | 174.6° |
| N3 | C13 | H18 | H19 | 120.3° | 120.3° |
| C17 | C16 | C15 | H26 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 177.4° | 180.0° |
| N3 | C6 | O1 | C5 | 177.0° | 180.0° |
| N3 | C6 | C5 | C4 | 171.5° | 180.0° |
| N3 | C6 | C5 | H3 | 68.4° | 60.0° |
| N3 | C6 | C5 | H4 | 51.4° | 60.1° |
| C6 | N3 | C7 | H8 | 105.6° | 113.9° |
| C6 | N3 | C7 | H9 | 14.5° | 6.4° |
| C6 | N3 | C13 | H18 | 14.3° | 6.5° |
| C6 | N3 | C13 | H19 | 105.9° | 113.8° |
| C16 | C15 | C14 | N5 | 137.3° | 24.4° |
| C16 | C15 | C14 | C21 | 20.8° | 155.6° |
| C15 | C16 | C17 | H27 | 178.9° | 180.0° |
| C16 | C15 | C20 | H29 | 177.8° | 180.0° |
| C15 | C14 | N5 | C21 | 157.5° | 180.0° |
| C15 | C14 | N5 | C4 | 177.7° | 178.9° |
| C15 | C14 | C21 | C27 | 49.2° | 41.6° |
| C15 | C14 | C21 | C22 | 129.9° | 138.1° |
| C14 | C15 | C16 | H26 | 2.6° | 0.1° |
| C14 | C15 | C20 | H29 | 2.4° | 0.3° |
| O1 | C6 | C5 | C4 | 11.5° | 0.0° |
| O1 | C6 | C5 | H3 | 108.6° | 120.0° |
| O1 | C6 | C5 | H4 | 131.6° | 120.0° |
| C6 | C5 | C4 | N5 | 69.9° | 66.8° |
| C6 | C5 | C4 | H3 | 120.1° | 120.0° |
| C6 | C5 | C4 | H4 | 120.1° | 119.9° |
| C6 | C5 | C4 | C3 | 173.7° | 175.0° |
| C6 | C5 | C4 | H1 | 50.0° | 54.1° |
| C6 | C5 | H3 | H4 | 119.7° | 120.0° |
| C14 | N5 | C4 | C5 | 154.2° | 58.5° |
| C14 | N5 | C4 | C3 | 84.1° | 61.1° |
| N5 | C14 | C21 | C27 | 153.1° | 138.5° |
| N5 | C14 | C21 | C22 | 27.8° | 41.9° |
| C14 | N5 | C4 | H1 | 34.6° | 179.3° |
| N5 | C4 | C5 | C3 | 116.4° | 118.3° |
| N5 | C4 | C5 | H1 | 119.9° | 120.9° |
| C4 | N5 | C14 | C21 | 24.8° | 1.2° |
| N5 | C4 | C3 | H1 | 118.7° | 119.6° |
| N5 | C4 | C3 | N2 | 111.6° | 120.9° |
| N5 | C4 | C3 | N6 | 62.0° | 58.8° |
| N5 | C4 | C5 | H3 | 170.0° | 53.2° |
| N5 | C4 | C5 | H4 | 50.3° | 173.3° |
| C5 | C4 | C3 | H1 | 123.4° | 120.9° |
| C5 | C4 | C3 | N2 | 6.3° | 119.5° |
| C5 | C4 | C3 | N6 | 180.0° | 60.8° |
| C4 | C5 | H3 | H4 | 119.7° | 120.0° |
| C14 | C21 | C27 | C22 | 179.2° | 179.7° |
| C14 | C21 | C27 | C25 | 179.7° | 178.6° |
| C14 | C21 | C22 | N6 | 3.4° | 4.5° |
| C14 | C21 | C22 | C23 | 178.8° | 177.7° |
| C14 | C21 | C27 | H35 | 0.3° | 1.5° |
| C4 | C3 | N2 | N6 | 174.5° | 179.7° |
| C4 | C3 | N2 | N1 | 175.5° | 177.8° |
| C4 | C3 | N6 | C22 | 7.8° | 4.1° |
| C4 | C3 | N6 | C2 | 176.3° | 177.4° |
| C3 | C4 | C5 | H3 | 53.6° | 65.0° |
| C3 | C4 | C5 | H4 | 66.2° | 55.1° |
| C21 | C27 | C25 | H35 | 180.0° | 179.9° |
| C27 | C21 | C22 | N6 | 177.5° | 175.8° |
| C27 | C21 | C22 | C23 | 2.0° | 1.9° |
| C21 | C27 | C25 | O2 | 179.9° | 179.8° |
| C21 | C27 | C25 | C24 | 0.2° | 0.2° |
| C22 | C21 | C27 | C25 | 0.6° | 1.1° |
| C21 | C22 | N6 | C3 | 39.5° | 36.2° |
| C21 | C22 | N6 | C23 | 175.5° | 177.8° |
| C21 | C22 | N6 | C2 | 145.3° | 145.6° |
| C21 | C22 | C23 | C24 | 2.9° | 1.4° |
| C21 | C22 | C23 | H30 | 177.2° | 178.5° |
| C22 | C21 | C27 | H35 | 179.4° | 178.8° |
| C27 | C25 | O2 | C24 | 179.6° | 180.0° |
| C27 | C25 | O2 | C26 | 178.7° | 180.0° |
| C27 | C25 | C24 | C23 | 0.5° | 0.7° |
| C27 | C25 | C24 | H31 | 179.5° | 179.2° |
| N2 | C3 | N6 | C22 | 177.2° | 176.2° |
| N2 | C3 | N6 | C2 | 1.3° | 2.4° |
| C3 | N2 | N1 | C2 | 0.3° | 0.7° |
| N2 | C3 | C4 | H1 | 129.7° | 1.4° |
| N6 | C3 | N2 | N1 | 1.0° | 1.9° |
| C3 | N6 | C22 | C2 | 175.2° | 178.3° |
| C3 | N6 | C22 | C23 | 136.0° | 141.6° |
| C3 | N6 | C2 | N1 | 1.1° | 1.9° |
| C3 | N6 | C2 | C1 | 179.7° | 178.0° |
| N6 | C3 | C4 | H1 | 56.6° | 178.3° |
| N2 | N1 | C2 | N6 | 0.5° | 0.8° |
| N2 | N1 | C2 | C1 | 179.2° | 179.2° |
| C22 | N6 | C2 | N1 | 176.8° | 176.6° |
| C22 | N6 | C2 | C1 | 4.6° | 3.4° |
| N6 | C22 | C23 | C24 | 178.6° | 176.4° |
| N6 | C22 | C23 | H30 | 1.4° | 3.7° |
| C2 | N6 | C22 | C23 | 39.2° | 36.7° |
| N6 | C2 | N1 | C1 | 178.7° | 180.0° |
| N6 | C2 | C1 | H20 | 178.4° | 90.0° |
| N6 | C2 | C1 | H21 | 58.4° | 30.0° |
| N6 | C2 | C1 | H22 | 61.6° | 150.0° |
| C22 | C23 | C24 | C25 | 2.1° | 0.1° |
| C22 | C23 | C24 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | H31 | 177.9° | 180.0° |
| N1 | C2 | C1 | H20 | 0.0° | 90.0° |
| N1 | C2 | C1 | H21 | 120.0° | 150.0° |
| N1 | C2 | C1 | H22 | 120.0° | 30.0° |
| O2 | C25 | C24 | C23 | 179.1° | 179.3° |
| O2 | C25 | C24 | H31 | 0.9° | 0.8° |
| C25 | O2 | C26 | H32 | 180.0° | 180.0° |
| C25 | O2 | C26 | H33 | 60.0° | 60.0° |
| C25 | O2 | C26 | H34 | 60.0° | 60.0° |
| O2 | C25 | C27 | H35 | 0.1° | 0.1° |
| C24 | C25 | O2 | C26 | 0.9° | 0.0° |
| C25 | C24 | C23 | H31 | 180.0° | 179.9° |
| C25 | C24 | C23 | H30 | 177.9° | 179.9° |
| C24 | C25 | C27 | H35 | 179.7° | 179.9° |
| O2 | C26 | H32 | H33 | 120.0° | 120.0° |
| O2 | C26 | H32 | H34 | 120.0° | 120.0° |
| O2 | C26 | H33 | H34 | 120.0° | 120.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 70.1° | 174.1° |
| H1 | C4 | C5 | H4 | 170.1° | 65.8° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C7 | C8 | H10 | 55.2° | 174.9° |
| H8 | C7 | C8 | H11 | 174.7° | 54.8° |
| H9 | C7 | C8 | H10 | 64.9° | 54.6° |
| H9 | C7 | C8 | H11 | 54.7° | 65.5° |
| H10 | C8 | C9 | H12 | 62.8° | 178.6° |
| H11 | C8 | C9 | H12 | 177.6° | 61.3° |
| H12 | C9 | C12 | H16 | 177.0° | 178.6° |
| H12 | C9 | C12 | H17 | 63.5° | 61.3° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C12 | C13 | H18 | 55.6° | 54.4° |
| H16 | C12 | C13 | H19 | 175.8° | 174.8° |
| H17 | C12 | C13 | H18 | 63.9° | 65.6° |
| H17 | C12 | C13 | H19 | 56.3° | 54.8° |
| H20 | C1 | H21 | H22 | 120.0° | 120.0° |
| H26 | C16 | C17 | H27 | 1.1° | 0.1° |
| H28 | C19 | C20 | H29 | 1.1° | 0.3° |
| H30 | C23 | C24 | H31 | 2.0° | 0.1° |
| H32 | C26 | H33 | H34 | 120.0° | 120.0° |
