J5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N6 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.54Å | |
| C4 | C11 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C11 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| O1 | C2 | doub | 1.21Å | 1.18Å | |
| C2 | N12 | sing | 1.35Å | 1.48Å | |
| N12 | C20 | sing | 1.40Å | 1.47Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| N15 | C14 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| N15 | H24 | sing | 1.01Å | 1.00Å | |
| N15 | H25 | sing | 1.01Å | 1.00Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | N6 | 119.6° | 120.8° |
| C7 | C8 | C9 | 120.2° | 119.1° |
| C8 | C7 | H20 | 120.2° | 119.6° |
| C7 | C8 | H21 | 119.9° | 120.5° |
| C7 | N6 | C5 | 121.5° | 121.7° |
| N6 | C7 | H20 | 120.2° | 119.6° |
| C8 | C9 | C10 | 118.5° | 118.4° |
| C9 | C8 | H21 | 119.9° | 120.4° |
| C8 | C9 | H22 | 120.7° | 120.7° |
| N6 | C5 | C10 | 122.3° | 120.8° |
| N6 | C5 | C4 | 119.5° | 119.6° |
| C9 | C10 | C5 | 117.9° | 119.2° |
| C10 | C9 | H22 | 120.8° | 120.9° |
| C9 | C10 | H23 | 121.1° | 120.4° |
| C10 | C5 | C4 | 118.2° | 119.6° |
| C5 | C10 | H23 | 121.0° | 120.4° |
| C5 | C4 | C11 | 126.5° | 117.5° |
| C5 | C4 | C3 | 129.2° | 117.5° |
| C5 | C4 | H19 | 110.7° | 115.6° |
| C11 | C4 | C3 | 59.7° | 60.0° |
| C4 | C11 | C3 | 60.0° | 60.0° |
| C4 | C11 | H1 | 120.0° | 117.5° |
| C4 | C11 | H2 | 120.0° | 117.5° |
| C11 | C4 | H19 | 110.8° | 117.5° |
| C4 | C3 | C11 | 60.4° | 60.0° |
| C4 | C3 | C2 | 119.7° | 117.5° |
| C4 | C3 | H18 | 116.9° | 117.5° |
| C3 | C4 | H19 | 110.9° | 117.5° |
| C11 | C3 | C2 | 114.4° | 117.5° |
| C3 | C11 | H1 | 120.0° | 117.5° |
| C3 | C11 | H2 | 120.0° | 117.5° |
| C11 | C3 | H18 | 117.0° | 117.5° |
| C3 | C2 | O1 | 119.9° | 120.0° |
| C3 | C2 | N12 | 119.6° | 120.0° |
| C2 | C3 | H18 | 116.5° | 115.6° |
| O1 | C2 | N12 | 120.5° | 120.0° |
| C2 | N12 | C20 | 120.7° | 120.0° |
| C2 | N12 | C13 | 123.0° | 120.0° |
| C20 | N12 | C13 | 116.2° | 120.1° |
| N12 | C20 | C21 | 124.1° | 119.9° |
| N12 | C20 | C34 | 114.8° | 119.9° |
| N12 | C13 | C14 | 118.7° | 109.5° |
| N12 | C13 | H3 | 107.1° | 109.5° |
| N12 | C13 | H4 | 107.1° | 109.4° |
| N15 | C14 | C13 | 110.8° | 109.5° |
| N15 | C14 | C16 | 109.1° | 109.5° |
| N15 | C14 | H5 | 109.2° | 109.5° |
| C14 | N15 | H24 | 109.5° | 111.0° |
| C14 | N15 | H25 | 109.5° | 111.0° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | C34 | 121.1° | 120.1° |
| C20 | C21 | H6 | 120.4° | 119.9° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C22 | C21 | H6 | 120.3° | 120.1° |
| C21 | C22 | H7 | 120.2° | 120.0° |
| C20 | C34 | C33 | 119.8° | 120.0° |
| C20 | C34 | H17 | 120.1° | 120.0° |
| C22 | C23 | C33 | 120.5° | 119.8° |
| C22 | C23 | C24 | 120.4° | 120.1° |
| C23 | C22 | H7 | 120.2° | 120.0° |
| C13 | C14 | C16 | 111.5° | 109.5° |
| C14 | C13 | H3 | 107.1° | 109.5° |
| C14 | C13 | H4 | 107.1° | 109.5° |
| C13 | C14 | H5 | 107.9° | 109.5° |
| C14 | C16 | C18 | 109.8° | 109.5° |
| C14 | C16 | C17 | 110.5° | 109.5° |
| C16 | C14 | H5 | 108.2° | 109.5° |
| C14 | C16 | H27 | 109.2° | 109.5° |
| C34 | C33 | C23 | 119.7° | 120.0° |
| C34 | C33 | H16 | 120.1° | 120.0° |
| C33 | C34 | H17 | 120.1° | 120.0° |
| C19 | C18 | C16 | 109.9° | 109.5° |
| C19 | C18 | H31 | 109.4° | 109.4° |
| C19 | C18 | H32 | 109.3° | 109.5° |
| C18 | C19 | H33 | 109.5° | 109.4° |
| C18 | C19 | H34 | 109.5° | 109.5° |
| C18 | C19 | H35 | 109.4° | 109.5° |
| C18 | C16 | C17 | 108.8° | 109.5° |
| C18 | C16 | H27 | 109.2° | 109.5° |
| C16 | C18 | H31 | 109.4° | 109.5° |
| C16 | C18 | H32 | 109.4° | 109.5° |
| C26 | C25 | C24 | 120.1° | 119.9° |
| C25 | C26 | C27 | 119.7° | 120.1° |
| C26 | C25 | H8 | 119.9° | 120.1° |
| C25 | C26 | H9 | 120.2° | 119.9° |
| C25 | C24 | C23 | 121.9° | 120.1° |
| C25 | C24 | C32 | 120.0° | 119.7° |
| C24 | C25 | H8 | 119.9° | 120.1° |
| C33 | C23 | C24 | 119.1° | 120.1° |
| C23 | C33 | H16 | 120.2° | 120.0° |
| C23 | C24 | C32 | 118.1° | 120.1° |
| C17 | C16 | H27 | 109.3° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.4° |
| C16 | C17 | H29 | 109.5° | 109.4° |
| C16 | C17 | H30 | 109.4° | 109.4° |
| C26 | C27 | C31 | 119.6° | 120.2° |
| C26 | C27 | C28 | 121.3° | 119.8° |
| C27 | C26 | H9 | 120.2° | 120.0° |
| C24 | C32 | C31 | 119.7° | 119.9° |
| C24 | C32 | H15 | 120.2° | 120.1° |
| C31 | C27 | C28 | 119.1° | 119.9° |
| C27 | C31 | C32 | 120.9° | 120.1° |
| C27 | C31 | H14 | 119.5° | 119.9° |
| C27 | C28 | C29 | 112.3° | 109.4° |
| C27 | C28 | H10 | 108.8° | 109.5° |
| C27 | C28 | H11 | 108.8° | 109.5° |
| C32 | C31 | H14 | 119.6° | 119.9° |
| C31 | C32 | H15 | 120.2° | 120.1° |
| C28 | C29 | C30 | 112.7° | 109.4° |
| C29 | C28 | H10 | 108.7° | 109.4° |
| C29 | C28 | H11 | 108.7° | 109.5° |
| C28 | C29 | H12 | 108.7° | 109.5° |
| C28 | C29 | H13 | 108.6° | 109.5° |
| C30 | C29 | H12 | 108.7° | 109.5° |
| C30 | C29 | H13 | 108.6° | 109.5° |
| C29 | C30 | H36 | 109.5° | 109.5° |
| C29 | C30 | H37 | 109.5° | 109.5° |
| C29 | C30 | H38 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 115.6° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H24 | N15 | H25 | 109.5° | 111.0° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H28 | C17 | H30 | 109.5° | 109.6° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.4° | 109.5° |
| H33 | C19 | H35 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H38 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | N6 | H20 | 180.0° | 179.9° |
| C7 | C8 | C9 | H21 | 180.0° | 180.0° |
| C8 | C7 | N6 | C5 | 0.0° | 0.1° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | H22 | 179.8° | 180.0° |
| N6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | N6 | C5 | C10 | 0.1° | 0.1° |
| C7 | N6 | C5 | C4 | 179.9° | 179.7° |
| N6 | C7 | C8 | H21 | 180.0° | 179.9° |
| C8 | C9 | C10 | H22 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.3° | 0.0° |
| C9 | C8 | C7 | H20 | 180.0° | 179.9° |
| C8 | C9 | C10 | H23 | 179.7° | 179.7° |
| N6 | C5 | C10 | C9 | 0.3° | 0.1° |
| N6 | C5 | C10 | C4 | 179.7° | 179.8° |
| N6 | C5 | C4 | C11 | 123.5° | 163.8° |
| N6 | C5 | C4 | C3 | 158.4° | 95.2° |
| N6 | C5 | C4 | H19 | 15.3° | 50.5° |
| C5 | N6 | C7 | H20 | 180.0° | 180.0° |
| N6 | C5 | C10 | H23 | 179.7° | 179.7° |
| C9 | C10 | C5 | H23 | 180.0° | 179.7° |
| C9 | C10 | C5 | C4 | 179.9° | 179.7° |
| C10 | C9 | C8 | H21 | 179.8° | 180.0° |
| C10 | C5 | C4 | C11 | 56.7° | 16.3° |
| C10 | C5 | C4 | C3 | 21.3° | 85.0° |
| C10 | C5 | C4 | H19 | 164.5° | 129.3° |
| C5 | C10 | C9 | H22 | 179.7° | 180.0° |
| C5 | C4 | C11 | C3 | 118.6° | 107.5° |
| C5 | C4 | C11 | H19 | 138.7° | 145.0° |
| C5 | C4 | C3 | H19 | 143.1° | 145.0° |
| C5 | C4 | C3 | C2 | 142.7° | 145.0° |
| C5 | C4 | C11 | H1 | 9.1° | 145.0° |
| C5 | C4 | C11 | H2 | 131.9° | 0.0° |
| C5 | C4 | C3 | H18 | 7.1° | 0.1° |
| C4 | C5 | C10 | H23 | 0.0° | 0.1° |
| C11 | C4 | C3 | H19 | 102.5° | 107.5° |
| C4 | C11 | C3 | H1 | 109.5° | 107.5° |
| C4 | C11 | C3 | H2 | 109.4° | 107.5° |
| C11 | C4 | C3 | C2 | 102.9° | 107.5° |
| C4 | C11 | H1 | H2 | 144.8° | 145.7° |
| C11 | C4 | C3 | H18 | 107.3° | 107.5° |
| C4 | C3 | C2 | H18 | 149.9° | 145.8° |
| C4 | C3 | C2 | O1 | 50.0° | 0.1° |
| C4 | C3 | C2 | N12 | 130.3° | 180.0° |
| C11 | C3 | C2 | H18 | 141.5° | 145.6° |
| C11 | C3 | C2 | O1 | 18.5° | 68.7° |
| C11 | C3 | C2 | N12 | 161.1° | 111.4° |
| C3 | C11 | H1 | H2 | 144.8° | 145.7° |
| C3 | C2 | O1 | N12 | 179.7° | 179.9° |
| C3 | C2 | N12 | C20 | 1.3° | 174.6° |
| C3 | C2 | N12 | C13 | 176.9° | 5.4° |
| C2 | C3 | C11 | H1 | 139.0° | 0.0° |
| C2 | C3 | C11 | H2 | 2.1° | 145.0° |
| C2 | C3 | C4 | H19 | 0.4° | 0.0° |
| O1 | C2 | N12 | C20 | 178.4° | 5.4° |
| O1 | C2 | N12 | C13 | 2.8° | 174.5° |
| O1 | C2 | C3 | H18 | 160.1° | 145.7° |
| C2 | N12 | C20 | C13 | 175.8° | 180.0° |
| C2 | N12 | C20 | C21 | 70.1° | 124.2° |
| C2 | N12 | C20 | C34 | 112.1° | 55.9° |
| C2 | N12 | C13 | C14 | 97.6° | 90.0° |
| C2 | N12 | C13 | H3 | 141.0° | 30.0° |
| C2 | N12 | C13 | H4 | 23.7° | 150.0° |
| N12 | C2 | C3 | H18 | 19.6° | 34.2° |
| N12 | C20 | C21 | C34 | 177.6° | 180.0° |
| N12 | C20 | C21 | C22 | 179.1° | 180.0° |
| C20 | N12 | C13 | C14 | 86.6° | 90.0° |
| N12 | C20 | C34 | C33 | 179.1° | 179.9° |
| C20 | N12 | C13 | H3 | 34.7° | 149.9° |
| C20 | N12 | C13 | H4 | 152.1° | 29.9° |
| N12 | C20 | C21 | H6 | 0.9° | 0.2° |
| N12 | C20 | C34 | H17 | 0.9° | 0.0° |
| N12 | C13 | C14 | N15 | 58.1° | 54.9° |
| C13 | N12 | C20 | C21 | 114.0° | 55.8° |
| C13 | N12 | C20 | C34 | 63.7° | 124.2° |
| N12 | C13 | C14 | H3 | 121.3° | 120.1° |
| N12 | C13 | C14 | H4 | 121.3° | 119.9° |
| N12 | C13 | C14 | C16 | 63.7° | 175.0° |
| N12 | C13 | H3 | H4 | 115.8° | 120.0° |
| N12 | C13 | C14 | H5 | 177.7° | 65.0° |
| N15 | C14 | C13 | C16 | 121.7° | 120.0° |
| N15 | C14 | C13 | H5 | 119.6° | 120.0° |
| N15 | C14 | C16 | H5 | 118.7° | 120.0° |
| N15 | C14 | C16 | C18 | 35.1° | 60.0° |
| N15 | C14 | C16 | C17 | 155.1° | 180.0° |
| N15 | C14 | C13 | H3 | 179.4° | 175.0° |
| N15 | C14 | C13 | H4 | 63.2° | 65.0° |
| C14 | N15 | H24 | H25 | 120.0° | 123.9° |
| N15 | C14 | C16 | H27 | 84.6° | 60.0° |
| C20 | C21 | C22 | H6 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.6° | 0.1° |
| C21 | C20 | C34 | C33 | 1.3° | 0.1° |
| C20 | C21 | C22 | H7 | 179.4° | 180.0° |
| C21 | C20 | C34 | H17 | 178.7° | 180.0° |
| C22 | C21 | C20 | C34 | 1.5° | 0.0° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C21 | C22 | C23 | C33 | 0.5° | 0.0° |
| C21 | C22 | C23 | C24 | 179.5° | 180.0° |
| C20 | C34 | C33 | H17 | 180.0° | 179.9° |
| C20 | C34 | C33 | C23 | 0.2° | 0.1° |
| C34 | C20 | C21 | H6 | 178.5° | 179.7° |
| C20 | C34 | C33 | H16 | 179.8° | 180.0° |
| C22 | C23 | C33 | C34 | 0.7° | 0.0° |
| C22 | C23 | C24 | C25 | 34.1° | 0.4° |
| C22 | C23 | C33 | C24 | 179.0° | 180.0° |
| C22 | C23 | C24 | C32 | 145.5° | 180.0° |
| C23 | C22 | C21 | H6 | 179.4° | 179.7° |
| C22 | C23 | C33 | H16 | 179.3° | 179.9° |
| C13 | C14 | C16 | H5 | 118.5° | 120.0° |
| C13 | C14 | C16 | C18 | 157.9° | 180.0° |
| C13 | C14 | C16 | C17 | 82.1° | 60.0° |
| C14 | C13 | H3 | H4 | 115.8° | 120.0° |
| C13 | C14 | N15 | H24 | 180.0° | 63.9° |
| C13 | C14 | N15 | H25 | 60.0° | 60.0° |
| C13 | C14 | C16 | H27 | 38.1° | 60.0° |
| C14 | C16 | C18 | C19 | 157.5° | 175.0° |
| C14 | C16 | C18 | C17 | 121.1° | 120.0° |
| C14 | C16 | C18 | H27 | 119.7° | 120.0° |
| C14 | C16 | C17 | H27 | 120.2° | 120.0° |
| C16 | C14 | C13 | H3 | 57.6° | 65.0° |
| C16 | C14 | C13 | H4 | 175.0° | 55.0° |
| C16 | C14 | N15 | H24 | 56.9° | 176.0° |
| C16 | C14 | N15 | H25 | 176.9° | 60.0° |
| C14 | C16 | C17 | H28 | 180.0° | 179.9° |
| C14 | C16 | C17 | H29 | 60.0° | 60.0° |
| C14 | C16 | C17 | H30 | 60.0° | 60.0° |
| C14 | C16 | C18 | H31 | 37.4° | 65.0° |
| C14 | C16 | C18 | H32 | 82.5° | 55.0° |
| C34 | C33 | C23 | H16 | 180.0° | 179.9° |
| C34 | C33 | C23 | C24 | 179.8° | 179.9° |
| C19 | C18 | C16 | H31 | 120.1° | 120.0° |
| C19 | C18 | C16 | H32 | 120.1° | 120.0° |
| C19 | C18 | C16 | C17 | 81.5° | 65.0° |
| C19 | C18 | C16 | H27 | 37.7° | 55.0° |
| C19 | C18 | H31 | H32 | 119.8° | 120.0° |
| C18 | C19 | H33 | H34 | 120.0° | 120.0° |
| C18 | C19 | H33 | H35 | 120.0° | 120.0° |
| C18 | C19 | H34 | H35 | 120.0° | 120.0° |
| C18 | C16 | C17 | H27 | 119.2° | 120.0° |
| C18 | C16 | C14 | H5 | 83.6° | 60.0° |
| C18 | C16 | C17 | H28 | 59.4° | 60.1° |
| C18 | C16 | C17 | H29 | 179.4° | 180.0° |
| C18 | C16 | C17 | H30 | 60.6° | 60.0° |
| C16 | C18 | H31 | H32 | 119.8° | 120.0° |
| C16 | C18 | C19 | H33 | 180.0° | 60.0° |
| C16 | C18 | C19 | H34 | 60.0° | 60.0° |
| C16 | C18 | C19 | H35 | 60.0° | 180.0° |
| C26 | C25 | C24 | H8 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C25 | C26 | C27 | H9 | 180.0° | 180.0° |
| C26 | C25 | C24 | C32 | 0.2° | 0.4° |
| C25 | C26 | C27 | C31 | 0.1° | 0.0° |
| C25 | C26 | C27 | C28 | 179.9° | 180.0° |
| C25 | C24 | C23 | C33 | 146.9° | 179.7° |
| C25 | C24 | C23 | C32 | 179.6° | 179.6° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C32 | C31 | 0.4° | 0.6° |
| C24 | C25 | C26 | H9 | 179.6° | 179.9° |
| C25 | C24 | C32 | H15 | 179.6° | 179.7° |
| C33 | C23 | C24 | C32 | 33.5° | 0.0° |
| C33 | C23 | C22 | H7 | 179.5° | 180.0° |
| C23 | C33 | C34 | H17 | 179.8° | 180.0° |
| C23 | C24 | C32 | C31 | 179.2° | 179.8° |
| C24 | C23 | C22 | H7 | 0.5° | 0.1° |
| C23 | C24 | C25 | H8 | 0.1° | 0.1° |
| C23 | C24 | C32 | H15 | 0.8° | 0.0° |
| C24 | C23 | C33 | H16 | 0.2° | 0.0° |
| C17 | C16 | C14 | H5 | 36.4° | 60.0° |
| C16 | C17 | H28 | H29 | 120.0° | 119.9° |
| C16 | C17 | H28 | H30 | 120.0° | 120.0° |
| C16 | C17 | H29 | H30 | 120.0° | 120.0° |
| C17 | C16 | C18 | H31 | 158.5° | 55.0° |
| C17 | C16 | C18 | H32 | 38.6° | 175.0° |
| C26 | C27 | C31 | C28 | 179.8° | 180.0° |
| C26 | C27 | C31 | C32 | 0.7° | 0.2° |
| C26 | C27 | C28 | C29 | 127.1° | 90.0° |
| C27 | C26 | C25 | H8 | 179.6° | 180.0° |
| C26 | C27 | C28 | H10 | 6.7° | 150.0° |
| C26 | C27 | C28 | H11 | 112.4° | 30.0° |
| C26 | C27 | C31 | H14 | 179.3° | 179.9° |
| C24 | C32 | C31 | C27 | 0.9° | 0.5° |
| C24 | C32 | C31 | H15 | 180.0° | 179.8° |
| C32 | C24 | C25 | H8 | 179.7° | 179.7° |
| C24 | C32 | C31 | H14 | 179.1° | 179.6° |
| C27 | C31 | C32 | H14 | 180.0° | 179.9° |
| C31 | C27 | C28 | C29 | 52.7° | 89.9° |
| C31 | C27 | C26 | H9 | 179.9° | 180.0° |
| C31 | C27 | C28 | H10 | 173.1° | 30.0° |
| C31 | C27 | C28 | H11 | 67.7° | 150.0° |
| C27 | C31 | C32 | H15 | 179.1° | 179.7° |
| C28 | C27 | C31 | C32 | 179.4° | 179.7° |
| C27 | C28 | C29 | H10 | 120.5° | 120.0° |
| C27 | C28 | C29 | H11 | 120.4° | 120.1° |
| C27 | C28 | C29 | C30 | 174.9° | 179.9° |
| C28 | C27 | C26 | H9 | 0.1° | 0.0° |
| C27 | C28 | H10 | H11 | 118.7° | 120.1° |
| C27 | C28 | C29 | H12 | 64.6° | 60.1° |
| C27 | C28 | C29 | H13 | 54.4° | 60.0° |
| C28 | C27 | C31 | H14 | 0.6° | 0.1° |
| C28 | C29 | C30 | H12 | 120.5° | 120.0° |
| C28 | C29 | C30 | H13 | 120.5° | 120.0° |
| C29 | C28 | H10 | H11 | 118.7° | 120.0° |
| C28 | C29 | H12 | H13 | 118.5° | 120.0° |
| C28 | C29 | C30 | H36 | 180.0° | 60.0° |
| C28 | C29 | C30 | H37 | 60.0° | 60.0° |
| C28 | C29 | C30 | H38 | 60.0° | 180.0° |
| C30 | C29 | C28 | H10 | 54.5° | 60.0° |
| C30 | C29 | C28 | H11 | 64.7° | 60.0° |
| C30 | C29 | H12 | H13 | 118.5° | 120.0° |
| C29 | C30 | H36 | H37 | 120.0° | 120.0° |
| C29 | C30 | H36 | H38 | 120.0° | 120.0° |
| C29 | C30 | H37 | H38 | 120.0° | 120.0° |
| H1 | C11 | C3 | H18 | 2.3° | 145.0° |
| H1 | C11 | C4 | H19 | 147.9° | 0.0° |
| H2 | C11 | C3 | H18 | 143.4° | 0.0° |
| H2 | C11 | C4 | H19 | 6.8° | 145.1° |
| H3 | C13 | C14 | H5 | 61.0° | 55.0° |
| H4 | C13 | C14 | H5 | 56.3° | 175.0° |
| H5 | C14 | N15 | H24 | 61.2° | 56.0° |
| H5 | C14 | N15 | H25 | 58.8° | 180.0° |
| H5 | C14 | C16 | H27 | 156.7° | 180.0° |
| H6 | C21 | C22 | H7 | 0.6° | 0.3° |
| H8 | C25 | C26 | H9 | 0.4° | 0.0° |
| H10 | C28 | C29 | H12 | 175.0° | 180.0° |
| H10 | C28 | C29 | H13 | 66.0° | 60.0° |
| H11 | C28 | C29 | H12 | 55.8° | 60.0° |
| H11 | C28 | C29 | H13 | 174.9° | 180.0° |
| H12 | C29 | C30 | H36 | 59.5° | 180.0° |
| H12 | C29 | C30 | H37 | 179.5° | 60.0° |
| H12 | C29 | C30 | H38 | 60.5° | 60.0° |
| H13 | C29 | C30 | H36 | 59.5° | 59.9° |
| H13 | C29 | C30 | H37 | 60.5° | 180.0° |
| H13 | C29 | C30 | H38 | 179.5° | 60.0° |
| H14 | C31 | C32 | H15 | 0.9° | 0.1° |
| H16 | C33 | C34 | H17 | 0.2° | 0.1° |
| H18 | C3 | C4 | H19 | 150.2° | 145.1° |
| H20 | C7 | C8 | H21 | 0.0° | 0.0° |
| H21 | C8 | C9 | H22 | 0.2° | 0.0° |
| H22 | C9 | C10 | H23 | 0.3° | 0.3° |
| H27 | C16 | C17 | H28 | 59.8° | 59.9° |
| H27 | C16 | C17 | H29 | 60.2° | 60.0° |
| H27 | C16 | C17 | H30 | 179.8° | 180.0° |
| H27 | C16 | C18 | H31 | 82.3° | 175.0° |
| H27 | C16 | C18 | H32 | 157.8° | 65.0° |
| H28 | C17 | H29 | H30 | 120.0° | 120.1° |
| H31 | C18 | C19 | H33 | 59.9° | 180.0° |
| H31 | C18 | C19 | H34 | 60.1° | 60.0° |
| H31 | C18 | C19 | H35 | 179.9° | 60.0° |
| H32 | C18 | C19 | H33 | 59.9° | 60.0° |
| H32 | C18 | C19 | H34 | 179.9° | 180.0° |
| H32 | C18 | C19 | H35 | 60.1° | 60.0° |
| H33 | C19 | H34 | H35 | 120.0° | 120.0° |
| H36 | C30 | H37 | H38 | 120.0° | 120.0° |
