R4I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | sing | 1.54Å | 1.51Å | |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C20 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | N27 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.40Å | 1.37Å | Aromatic |
| C31 | N27 | sing | 1.40Å | 1.32Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N27 | C25 | sing | 1.35Å | 1.31Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | O26 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | N9 | sing | 1.47Å | 1.46Å | |
| C17 | C1 | sing | 1.48Å | 1.39Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| C10 | C2 | sing | 1.51Å | 1.53Å | |
| N9 | C8 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.41Å | 1.39Å | |
| C1 | C6 | doub | 1.40Å | 1.39Å | |
| N16 | C15 | trip | 1.14Å | 1.13Å | |
| C15 | C6 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.35Å | 1.37Å | |
| C6 | C5 | sing | 1.42Å | 1.38Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | C7 | sing | 1.51Å | 1.49Å | |
| C3 | N4 | sing | 1.36Å | 1.38Å | |
| C5 | N4 | sing | 1.34Å | 1.37Å | |
| C5 | O14 | doub | 1.22Å | 1.23Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C30 | 120.3° | 120.2° |
| C35 | C34 | C33 | 119.5° | 119.8° |
| C34 | C35 | H18 | 119.9° | 119.9° |
| C35 | C34 | H19 | 120.2° | 120.1° |
| C35 | C30 | C29 | 130.6° | 131.0° |
| C35 | C30 | C31 | 120.2° | 120.5° |
| C30 | C35 | H18 | 119.8° | 119.9° |
| C34 | C33 | C32 | 120.2° | 120.2° |
| C33 | C34 | H19 | 120.2° | 120.1° |
| C34 | C33 | H20 | 119.9° | 119.9° |
| C30 | C29 | C28 | 101.9° | 104.6° |
| C29 | C30 | C31 | 109.2° | 108.5° |
| C30 | C29 | H16 | 111.3° | 110.4° |
| C30 | C29 | H17 | 111.3° | 110.4° |
| C29 | C28 | N27 | 102.8° | 105.2° |
| C29 | C28 | H14 | 111.1° | 110.3° |
| C29 | C28 | H15 | 111.1° | 110.4° |
| C28 | C29 | H16 | 111.3° | 110.4° |
| C28 | C29 | H17 | 111.3° | 110.5° |
| C30 | C31 | C32 | 119.5° | 119.0° |
| C30 | C31 | N27 | 109.2° | 111.7° |
| C23 | C20 | C19 | 119.6° | 119.9° |
| C23 | C20 | C21 | 120.9° | 119.8° |
| C20 | C23 | H29 | 109.5° | 109.4° |
| C20 | C23 | H30 | 109.5° | 109.4° |
| C20 | C23 | H31 | 109.5° | 109.5° |
| C33 | C32 | C31 | 120.3° | 120.3° |
| C32 | C33 | H20 | 119.9° | 119.9° |
| C33 | C32 | H21 | 119.9° | 119.9° |
| C28 | N27 | C31 | 112.2° | 110.0° |
| C28 | N27 | C25 | 122.4° | 125.0° |
| N27 | C28 | H14 | 111.1° | 110.3° |
| N27 | C28 | H15 | 111.1° | 110.3° |
| C32 | C31 | N27 | 131.3° | 129.3° |
| C31 | C32 | H21 | 119.9° | 119.8° |
| C31 | N27 | C25 | 125.4° | 125.0° |
| C19 | C20 | C21 | 119.4° | 120.3° |
| C20 | C19 | C18 | 119.6° | 120.2° |
| C20 | C19 | H28 | 120.2° | 119.9° |
| C20 | C21 | C22 | 120.8° | 120.1° |
| C20 | C21 | H10 | 119.6° | 119.9° |
| N27 | C25 | O26 | 119.4° | 120.0° |
| N27 | C25 | C24 | 123.1° | 120.0° |
| C19 | C18 | C17 | 121.4° | 119.8° |
| C19 | C18 | H27 | 119.3° | 120.1° |
| C18 | C19 | H28 | 120.2° | 120.0° |
| C21 | C22 | C17 | 119.9° | 119.8° |
| C22 | C21 | H10 | 119.6° | 119.9° |
| C21 | C22 | H11 | 120.1° | 120.1° |
| O26 | C25 | C24 | 117.5° | 120.0° |
| C25 | C24 | N9 | 103.5° | 109.5° |
| C25 | C24 | H12 | 110.9° | 109.4° |
| C25 | C24 | H13 | 111.0° | 109.5° |
| C18 | C17 | C22 | 119.0° | 119.8° |
| C18 | C17 | C1 | 119.1° | 120.1° |
| C17 | C18 | H27 | 119.3° | 120.1° |
| C22 | C17 | C1 | 121.9° | 120.1° |
| C17 | C22 | H11 | 120.1° | 120.1° |
| C24 | N9 | C10 | 108.3° | 111.0° |
| C24 | N9 | C8 | 109.4° | 111.0° |
| N9 | C24 | H12 | 111.0° | 109.5° |
| N9 | C24 | H13 | 110.9° | 109.5° |
| C17 | C1 | C2 | 118.9° | 120.4° |
| C17 | C1 | C6 | 120.7° | 120.4° |
| N9 | C10 | C2 | 115.4° | 110.7° |
| C10 | N9 | C8 | 119.3° | 110.0° |
| N9 | C10 | H5 | 108.0° | 109.2° |
| N9 | C10 | H6 | 108.0° | 109.2° |
| C10 | C2 | C1 | 122.4° | 117.8° |
| C10 | C2 | C3 | 120.0° | 122.3° |
| C2 | C10 | H5 | 108.0° | 109.2° |
| C2 | C10 | H6 | 108.0° | 109.3° |
| N9 | C8 | C7 | 114.2° | 108.4° |
| N9 | C8 | H3 | 108.3° | 109.7° |
| N9 | C8 | H4 | 108.3° | 109.7° |
| C2 | C1 | C6 | 120.4° | 119.3° |
| C1 | C2 | C3 | 117.5° | 119.8° |
| C1 | C6 | C15 | 122.0° | 120.8° |
| C1 | C6 | C5 | 120.4° | 118.4° |
| N16 | C15 | C6 | 179.9° | 180.0° |
| C15 | C6 | C5 | 117.6° | 120.8° |
| C2 | C3 | C7 | 118.9° | 121.7° |
| C2 | C3 | N4 | 122.8° | 120.7° |
| C6 | C5 | N4 | 119.5° | 119.7° |
| C6 | C5 | O14 | 121.8° | 120.1° |
| C8 | C7 | C3 | 112.3° | 110.1° |
| C8 | C7 | C11 | 114.6° | 109.3° |
| C8 | C7 | H2 | 106.9° | 109.3° |
| C7 | C8 | H3 | 108.3° | 109.7° |
| C7 | C8 | H4 | 108.3° | 109.7° |
| C7 | C3 | N4 | 118.3° | 117.6° |
| C3 | C7 | C11 | 108.6° | 109.3° |
| C3 | C7 | H2 | 107.2° | 109.3° |
| C3 | N4 | C5 | 119.3° | 122.1° |
| C3 | N4 | H1 | 120.3° | 119.0° |
| N4 | C5 | O14 | 118.6° | 120.2° |
| C5 | N4 | H1 | 120.3° | 119.0° |
| C7 | C11 | C12 | 111.2° | 109.5° |
| C11 | C7 | H2 | 106.9° | 109.4° |
| C7 | C11 | H23 | 109.1° | 109.4° |
| C7 | C11 | H24 | 109.0° | 109.4° |
| C11 | C12 | C13 | 114.3° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C12 | C11 | H24 | 109.0° | 109.5° |
| C11 | C12 | H25 | 108.2° | 109.5° |
| C11 | C12 | H26 | 108.2° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.4° |
| C12 | C13 | H8 | 109.4° | 109.4° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C13 | C12 | H25 | 108.2° | 109.5° |
| C13 | C12 | H26 | 108.2° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.7° |
| H5 | C10 | H6 | 109.5° | 109.2° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H14 | C28 | H15 | 109.5° | 110.3° |
| H16 | C29 | H17 | 109.5° | 110.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.4° | 109.6° |
| H30 | C23 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C30 | H18 | 180.0° | 179.9° |
| C35 | C34 | C33 | H19 | 180.0° | 179.9° |
| C34 | C35 | C30 | C29 | 179.8° | 180.0° |
| C34 | C35 | C30 | C31 | 0.1° | 0.1° |
| C35 | C34 | C33 | C32 | 0.1° | 0.1° |
| C35 | C34 | C33 | H20 | 179.9° | 179.9° |
| C30 | C35 | C34 | C33 | 0.1° | 0.0° |
| C35 | C30 | C29 | C31 | 179.9° | 179.9° |
| C35 | C30 | C29 | C28 | 166.8° | 179.9° |
| C35 | C30 | C31 | C32 | 0.1° | 0.1° |
| C35 | C30 | C31 | N27 | 179.8° | 180.0° |
| C35 | C30 | C29 | H16 | 74.4° | 61.2° |
| C35 | C30 | C29 | H17 | 48.0° | 61.2° |
| C30 | C35 | C34 | H19 | 179.9° | 179.9° |
| C34 | C33 | C32 | H20 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.3° | 0.1° |
| C33 | C34 | C35 | H18 | 179.9° | 180.0° |
| C34 | C33 | C32 | H21 | 179.8° | 180.0° |
| C30 | C29 | C28 | H16 | 118.7° | 118.7° |
| C30 | C29 | C28 | H17 | 118.8° | 118.8° |
| C30 | C29 | C28 | N27 | 19.8° | 0.0° |
| C29 | C30 | C31 | C32 | 179.9° | 180.0° |
| C29 | C30 | C31 | N27 | 0.3° | 0.0° |
| C30 | C29 | C28 | H14 | 138.7° | 118.9° |
| C30 | C29 | C28 | H15 | 99.1° | 119.0° |
| C30 | C29 | H16 | H17 | 123.5° | 122.4° |
| C29 | C30 | C35 | H18 | 0.2° | 0.1° |
| C28 | C29 | C30 | C31 | 13.3° | 0.0° |
| C29 | C28 | N27 | H14 | 118.9° | 118.9° |
| C29 | C28 | N27 | H15 | 118.9° | 119.0° |
| C29 | C28 | N27 | C31 | 22.1° | 0.0° |
| C29 | C28 | N27 | C25 | 158.6° | 180.0° |
| C29 | C28 | H14 | H15 | 123.1° | 122.2° |
| C28 | C29 | H16 | H17 | 123.6° | 122.5° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C30 | C31 | N27 | C28 | 14.1° | 0.0° |
| C30 | C31 | C32 | N27 | 179.6° | 180.0° |
| C30 | C31 | N27 | C25 | 166.6° | 180.0° |
| C31 | C30 | C29 | H16 | 105.5° | 118.7° |
| C31 | C30 | C29 | H17 | 132.1° | 118.9° |
| C31 | C30 | C35 | H18 | 179.9° | 180.0° |
| C30 | C31 | C32 | H21 | 179.7° | 179.9° |
| C23 | C20 | C19 | C21 | 179.9° | 179.7° |
| C23 | C20 | C19 | C18 | 179.9° | 180.0° |
| C23 | C20 | C21 | C22 | 179.8° | 180.0° |
| C23 | C20 | C21 | H10 | 0.3° | 0.3° |
| C23 | C20 | C19 | H28 | 0.1° | 0.2° |
| C20 | C23 | H29 | H30 | 120.0° | 119.9° |
| C20 | C23 | H29 | H31 | 120.0° | 120.0° |
| C20 | C23 | H30 | H31 | 120.0° | 120.0° |
| C33 | C32 | C31 | H21 | 180.0° | 179.9° |
| C33 | C32 | C31 | N27 | 179.9° | 179.9° |
| C32 | C33 | C34 | H19 | 179.9° | 180.0° |
| C28 | N27 | C31 | C32 | 165.5° | 180.0° |
| C28 | N27 | C31 | C25 | 179.4° | 180.0° |
| C28 | N27 | C25 | O26 | 0.7° | 0.1° |
| C28 | N27 | C25 | C24 | 179.9° | 180.0° |
| N27 | C28 | H14 | H15 | 123.1° | 122.1° |
| N27 | C28 | C29 | H16 | 98.9° | 118.7° |
| N27 | C28 | C29 | H17 | 138.6° | 118.8° |
| C32 | C31 | N27 | C25 | 13.8° | 0.0° |
| C31 | C32 | C33 | H20 | 179.7° | 180.0° |
| C31 | N27 | C25 | O26 | 180.0° | 179.9° |
| C31 | N27 | C25 | C24 | 0.8° | 0.0° |
| C31 | N27 | C28 | H14 | 141.0° | 118.9° |
| C31 | N27 | C28 | H15 | 96.8° | 119.0° |
| N27 | C31 | C32 | H21 | 0.1° | 0.0° |
| C20 | C19 | C18 | H28 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.4° | 0.3° |
| C20 | C19 | C18 | C17 | 0.6° | 0.1° |
| C19 | C20 | C21 | H10 | 179.6° | 180.0° |
| C20 | C19 | C18 | H27 | 179.3° | 180.0° |
| C19 | C20 | C23 | H29 | 89.9° | 90.0° |
| C19 | C20 | C23 | H30 | 150.0° | 150.0° |
| C19 | C20 | C23 | H31 | 30.1° | 30.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.2° |
| C20 | C21 | C22 | H10 | 180.0° | 179.7° |
| C20 | C21 | C22 | C17 | 0.1° | 0.1° |
| C20 | C21 | C22 | H11 | 179.9° | 180.0° |
| C21 | C20 | C19 | H28 | 180.0° | 179.9° |
| C21 | C20 | C23 | H29 | 90.0° | 89.7° |
| C21 | C20 | C23 | H30 | 30.1° | 30.3° |
| C21 | C20 | C23 | H31 | 150.0° | 150.3° |
| N27 | C25 | O26 | C24 | 179.2° | 179.9° |
| N27 | C25 | C24 | N9 | 172.7° | 180.0° |
| N27 | C25 | C24 | H12 | 68.3° | 60.0° |
| N27 | C25 | C24 | H13 | 53.6° | 59.9° |
| C25 | N27 | C28 | H14 | 39.6° | 61.1° |
| C25 | N27 | C28 | H15 | 82.5° | 61.0° |
| C19 | C18 | C17 | H27 | 180.0° | 179.9° |
| C19 | C18 | C17 | C22 | 0.9° | 0.3° |
| C19 | C18 | C17 | C1 | 179.8° | 180.0° |
| C21 | C22 | C17 | C18 | 0.5° | 0.3° |
| C21 | C22 | C17 | H11 | 180.0° | 179.9° |
| C21 | C22 | C17 | C1 | 179.4° | 180.0° |
| O26 | C25 | C24 | N9 | 6.4° | 0.1° |
| O26 | C25 | C24 | H12 | 112.6° | 120.1° |
| O26 | C25 | C24 | H13 | 125.5° | 120.0° |
| C25 | C24 | N9 | H12 | 119.0° | 119.9° |
| C25 | C24 | N9 | H13 | 119.1° | 120.1° |
| C25 | C24 | N9 | C10 | 74.3° | 66.1° |
| C25 | C24 | N9 | C8 | 154.2° | 171.2° |
| C25 | C24 | H12 | H13 | 122.8° | 120.0° |
| C18 | C17 | C22 | C1 | 178.9° | 179.7° |
| C18 | C17 | C1 | C2 | 130.0° | 65.4° |
| C18 | C17 | C1 | C6 | 48.9° | 114.8° |
| C18 | C17 | C22 | H11 | 179.5° | 179.7° |
| C17 | C18 | C19 | H28 | 179.4° | 179.7° |
| C22 | C17 | C1 | C2 | 48.9° | 114.9° |
| C22 | C17 | C1 | C6 | 132.2° | 64.9° |
| C17 | C22 | C21 | H10 | 179.9° | 179.7° |
| C22 | C17 | C18 | H27 | 179.1° | 179.8° |
| C24 | N9 | C10 | C8 | 125.9° | 123.2° |
| C24 | N9 | C10 | C2 | 113.3° | 175.2° |
| C24 | N9 | C8 | C7 | 149.2° | 166.3° |
| C24 | N9 | C8 | H3 | 90.1° | 74.0° |
| C24 | N9 | C8 | H4 | 28.5° | 46.5° |
| C24 | N9 | C10 | H5 | 7.6° | 54.9° |
| C24 | N9 | C10 | H6 | 125.8° | 64.4° |
| N9 | C24 | H12 | H13 | 122.8° | 120.0° |
| C17 | C1 | C2 | C10 | 1.5° | 0.1° |
| C17 | C1 | C2 | C6 | 178.9° | 179.9° |
| C17 | C1 | C6 | C15 | 0.8° | 0.1° |
| C17 | C1 | C2 | C3 | 179.5° | 179.4° |
| C17 | C1 | C6 | C5 | 179.3° | 180.0° |
| C1 | C17 | C22 | H11 | 0.6° | 0.0° |
| C1 | C17 | C18 | H27 | 0.2° | 0.1° |
| N9 | C10 | C2 | H5 | 120.9° | 120.3° |
| N9 | C10 | C2 | H6 | 120.9° | 120.3° |
| N9 | C10 | C2 | C1 | 154.8° | 162.1° |
| N9 | C10 | C2 | C3 | 26.2° | 17.4° |
| C10 | N9 | C8 | C7 | 23.8° | 70.5° |
| C10 | N9 | C8 | H3 | 144.5° | 49.2° |
| C10 | N9 | C8 | H4 | 96.8° | 169.7° |
| N9 | C10 | H5 | H6 | 117.3° | 119.3° |
| C10 | N9 | C24 | H12 | 166.6° | 174.0° |
| C10 | N9 | C24 | H13 | 44.7° | 54.0° |
| C2 | C10 | N9 | C8 | 12.6° | 52.0° |
| C10 | C2 | C1 | C3 | 179.0° | 179.5° |
| C10 | C2 | C1 | C6 | 179.6° | 179.8° |
| C10 | C2 | C3 | C7 | 0.6° | 0.5° |
| C10 | C2 | C3 | N4 | 179.3° | 179.4° |
| C2 | C10 | H5 | H6 | 117.3° | 119.5° |
| N9 | C8 | C7 | H3 | 120.7° | 119.7° |
| N9 | C8 | C7 | H4 | 120.7° | 119.8° |
| N9 | C8 | C7 | C3 | 48.4° | 50.3° |
| N9 | C8 | C7 | C11 | 76.2° | 69.8° |
| N9 | C8 | C7 | H2 | 165.6° | 170.4° |
| N9 | C8 | H3 | H4 | 117.9° | 120.6° |
| C8 | N9 | C10 | H5 | 133.4° | 68.3° |
| C8 | N9 | C10 | H6 | 108.3° | 172.3° |
| C8 | N9 | C24 | H12 | 35.1° | 51.3° |
| C8 | N9 | C24 | H13 | 86.8° | 68.7° |
| C2 | C1 | C6 | C15 | 179.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C1 | C2 | C3 | C7 | 179.6° | 178.9° |
| C1 | C2 | C3 | N4 | 0.3° | 1.1° |
| C1 | C2 | C10 | H5 | 33.9° | 77.6° |
| C1 | C2 | C10 | H6 | 84.3° | 41.8° |
| C1 | C6 | C15 | N16 | 151.5° | 158.9° |
| C1 | C6 | C15 | C5 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.6° | 0.7° |
| C1 | C6 | C5 | N4 | 0.0° | 0.1° |
| C1 | C6 | C5 | O14 | 179.6° | 179.6° |
| N16 | C15 | C6 | C5 | 28.3° | 21.2° |
| C15 | C6 | C5 | N4 | 179.8° | 179.9° |
| C15 | C6 | C5 | O14 | 0.3° | 0.4° |
| C2 | C3 | C7 | C8 | 36.4° | 17.1° |
| C2 | C3 | C7 | N4 | 179.9° | 180.0° |
| C2 | C3 | N4 | C5 | 0.2° | 0.9° |
| C2 | C3 | C7 | C11 | 91.3° | 103.1° |
| C2 | C3 | C7 | H2 | 153.5° | 137.2° |
| C3 | C2 | C10 | H5 | 147.1° | 102.9° |
| C3 | C2 | C10 | H6 | 94.6° | 137.7° |
| C2 | C3 | N4 | H1 | 179.8° | 179.2° |
| C6 | C5 | N4 | C3 | 0.4° | 0.3° |
| C6 | C5 | N4 | O14 | 179.6° | 179.7° |
| C6 | C5 | N4 | H1 | 179.7° | 179.8° |
| C8 | C7 | C3 | C11 | 127.8° | 120.2° |
| C8 | C7 | C3 | H2 | 117.1° | 120.1° |
| C8 | C7 | C3 | N4 | 143.7° | 162.9° |
| C8 | C7 | C11 | H2 | 118.2° | 119.7° |
| C8 | C7 | C11 | C12 | 17.8° | 174.6° |
| C7 | C8 | H3 | H4 | 117.8° | 120.6° |
| C8 | C7 | C11 | H23 | 138.1° | 65.4° |
| C8 | C7 | C11 | H24 | 102.4° | 54.6° |
| C7 | C3 | N4 | C5 | 179.9° | 179.1° |
| C3 | C7 | C11 | H2 | 115.4° | 119.7° |
| C3 | C7 | C11 | C12 | 144.3° | 64.7° |
| C3 | C7 | C8 | H3 | 169.1° | 69.4° |
| C3 | C7 | C8 | H4 | 72.3° | 170.1° |
| C3 | C7 | C11 | H23 | 95.5° | 55.3° |
| C3 | C7 | C11 | H24 | 24.0° | 175.3° |
| C7 | C3 | N4 | H1 | 0.1° | 0.8° |
| C3 | N4 | C5 | H1 | 180.0° | 179.9° |
| C3 | N4 | C5 | O14 | 179.9° | 180.0° |
| N4 | C3 | C7 | C11 | 88.6° | 77.0° |
| N4 | C3 | C7 | H2 | 26.6° | 42.8° |
| O14 | C5 | N4 | H1 | 0.1° | 0.1° |
| C7 | C11 | C12 | H23 | 120.3° | 120.0° |
| C7 | C11 | C12 | H24 | 120.2° | 119.9° |
| C7 | C11 | C12 | C13 | 150.7° | 180.0° |
| C11 | C7 | C8 | H3 | 44.5° | 170.5° |
| C11 | C7 | C8 | H4 | 163.1° | 50.0° |
| C7 | C11 | H23 | H24 | 119.2° | 119.9° |
| C7 | C11 | C12 | H25 | 30.0° | 60.0° |
| C7 | C11 | C12 | H26 | 88.6° | 60.0° |
| C11 | C12 | C13 | H25 | 120.7° | 120.0° |
| C11 | C12 | C13 | H26 | 120.7° | 120.0° |
| C12 | C11 | C7 | H2 | 100.4° | 55.0° |
| C11 | C12 | C13 | H7 | 180.0° | 60.0° |
| C11 | C12 | C13 | H8 | 60.0° | 180.0° |
| C11 | C12 | C13 | H9 | 60.0° | 60.0° |
| C12 | C11 | H23 | H24 | 119.2° | 120.1° |
| C11 | C12 | H25 | H26 | 117.8° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C11 | H23 | 89.0° | 60.0° |
| C13 | C12 | C11 | H24 | 30.5° | 60.1° |
| C13 | C12 | H25 | H26 | 117.8° | 120.0° |
| H2 | C7 | C8 | H3 | 73.7° | 50.8° |
| H2 | C7 | C8 | H4 | 44.9° | 69.8° |
| H2 | C7 | C11 | H23 | 19.9° | 175.0° |
| H2 | C7 | C11 | H24 | 139.4° | 65.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.1° |
| H7 | C13 | C12 | H25 | 59.3° | 179.9° |
| H7 | C13 | C12 | H26 | 59.3° | 60.0° |
| H8 | C13 | C12 | H25 | 179.3° | 60.0° |
| H8 | C13 | C12 | H26 | 60.7° | 60.0° |
| H9 | C13 | C12 | H25 | 60.7° | 60.0° |
| H9 | C13 | C12 | H26 | 179.3° | 180.0° |
| H10 | C21 | C22 | H11 | 0.1° | 0.4° |
| H14 | C28 | C29 | H16 | 20.0° | 122.3° |
| H14 | C28 | C29 | H17 | 102.5° | 0.1° |
| H15 | C28 | C29 | H16 | 142.2° | 0.2° |
| H15 | C28 | C29 | H17 | 19.7° | 122.2° |
| H18 | C35 | C34 | H19 | 0.1° | 0.0° |
| H19 | C34 | C33 | H20 | 0.0° | 0.1° |
| H20 | C33 | C32 | H21 | 0.2° | 0.1° |
| H23 | C11 | C12 | H25 | 150.3° | 60.0° |
| H23 | C11 | C12 | H26 | 31.7° | 179.9° |
| H24 | C11 | C12 | H25 | 90.2° | 179.9° |
| H24 | C11 | C12 | H26 | 151.2° | 60.0° |
| H27 | C18 | C19 | H28 | 0.7° | 0.2° |
| H29 | C23 | H30 | H31 | 119.9° | 120.1° |
