UUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | N4 | sing | 1.46Å | 1.48Å | |
| C18 | N4 | sing | 1.46Å | 1.48Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| N4 | C17 | sing | 1.35Å | 1.36Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | C13 | sing | 1.35Å | 1.34Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | N1 | sing | 1.35Å | 1.33Å | |
| C6 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C5 | C13 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.53Å | 31.01Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | N2 | sing | 1.47Å | 0.00Å | |
| N2 | C11 | sing | 1.47Å | 0.00Å | |
| N2 | C12 | sing | 1.47Å | 0.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 0.00Å | |
| C9 | H38 | sing | 1.09Å | 0.00Å | |
| C10 | H39 | sing | 1.09Å | 0.00Å | |
| C10 | H40 | sing | 1.09Å | 0.00Å | |
| C11 | H41 | sing | 1.09Å | 0.00Å | |
| C11 | H42 | sing | 1.09Å | 0.00Å | |
| C11 | H43 | sing | 1.09Å | 0.00Å | |
| C12 | H44 | sing | 1.09Å | 0.00Å | |
| C12 | H45 | sing | 1.09Å | 0.00Å | |
| C12 | H46 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C29 | C28 | H34 | 119.9° | 120.0° |
| C28 | C29 | H35 | 119.9° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H35 | 119.9° | 120.0° |
| C29 | C30 | H36 | 120.1° | 120.0° |
| C28 | C27 | C26 | 120.0° | 120.0° |
| C28 | C27 | H33 | 120.0° | 120.0° |
| C27 | C28 | H34 | 119.9° | 120.0° |
| C30 | C31 | C26 | 120.6° | 120.0° |
| C31 | C30 | H36 | 120.1° | 120.0° |
| C30 | C31 | H37 | 119.7° | 120.0° |
| C27 | C26 | C31 | 119.2° | 120.0° |
| C27 | C26 | C25 | 121.1° | 120.0° |
| C26 | C27 | H33 | 120.0° | 120.0° |
| C31 | C26 | C25 | 119.4° | 120.0° |
| C26 | C31 | H37 | 119.7° | 120.0° |
| C26 | C25 | N4 | 108.7° | 109.5° |
| C26 | C25 | H31 | 109.7° | 109.5° |
| C26 | C25 | H32 | 109.7° | 109.4° |
| C25 | N4 | C18 | 115.4° | 120.0° |
| C25 | N4 | C17 | 127.8° | 120.0° |
| N4 | C25 | H31 | 109.6° | 109.5° |
| N4 | C25 | H32 | 109.6° | 109.5° |
| N4 | C18 | C19 | 113.1° | 109.5° |
| C18 | N4 | C17 | 116.8° | 120.0° |
| N4 | C18 | H24 | 108.6° | 109.5° |
| N4 | C18 | H25 | 108.5° | 109.5° |
| C18 | C19 | C24 | 120.3° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C19 | C18 | H24 | 108.5° | 109.4° |
| C19 | C18 | H25 | 108.6° | 109.5° |
| N4 | C17 | C16 | 120.3° | 120.0° |
| N4 | C17 | O3 | 120.9° | 120.0° |
| C8 | C7 | C6 | 113.7° | 109.4° |
| C7 | C8 | C9 | 67.7° | 109.5° |
| C8 | C7 | H6 | 108.4° | 109.5° |
| C8 | C7 | H7 | 108.4° | 109.5° |
| C7 | C8 | H8 | 118.6° | 109.5° |
| C7 | C8 | H9 | 118.6° | 109.5° |
| C24 | C19 | C20 | 119.1° | 120.0° |
| C19 | C24 | C23 | 120.2° | 120.0° |
| C19 | C24 | H30 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.4° | 120.0° |
| C19 | C20 | H26 | 119.8° | 120.0° |
| C1 | C2 | C4 | 108.9° | 109.4° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.4° | 109.5° |
| C1 | C2 | H19 | 108.7° | 109.5° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C24 | C23 | H29 | 119.9° | 120.0° |
| C23 | C24 | H30 | 119.8° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C21 | C20 | H26 | 119.8° | 120.0° |
| C20 | C21 | H27 | 120.1° | 120.0° |
| C16 | C17 | O3 | 118.6° | 120.0° |
| C17 | C16 | C15 | 106.9° | 109.5° |
| C17 | C16 | H22 | 110.1° | 109.5° |
| C17 | C16 | H23 | 110.1° | 109.5° |
| C7 | C6 | N1 | 117.5° | 120.0° |
| C7 | C6 | O1 | 122.0° | 120.1° |
| C6 | C7 | H6 | 108.4° | 109.5° |
| C6 | C7 | H7 | 108.4° | 109.5° |
| C16 | C15 | C14 | 110.8° | 109.5° |
| C16 | C15 | H20 | 109.1° | 109.5° |
| C16 | C15 | H21 | 109.2° | 109.5° |
| C15 | C16 | H22 | 110.1° | 109.5° |
| C15 | C16 | H23 | 110.1° | 109.5° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H28 | 119.9° | 120.0° |
| C22 | C23 | H29 | 119.9° | 120.0° |
| C22 | C21 | H27 | 120.1° | 120.0° |
| C21 | C22 | H28 | 119.9° | 120.0° |
| C14 | N3 | C13 | 122.9° | 120.0° |
| N3 | C14 | C15 | 112.4° | 109.5° |
| N3 | C14 | H3 | 108.7° | 109.5° |
| N3 | C14 | H4 | 108.7° | 109.5° |
| C14 | N3 | H15 | 118.6° | 120.0° |
| N3 | C13 | C5 | 118.6° | 120.0° |
| N3 | C13 | O2 | 121.9° | 120.0° |
| C13 | N3 | H15 | 118.5° | 120.0° |
| C4 | C2 | C3 | 110.2° | 109.5° |
| C2 | C4 | C5 | 114.9° | 109.5° |
| C2 | C4 | H1 | 108.1° | 109.5° |
| C2 | C4 | H2 | 108.1° | 109.5° |
| C4 | C2 | H19 | 108.7° | 109.4° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| C2 | C3 | H14 | 109.4° | 109.5° |
| C3 | C2 | H19 | 108.6° | 109.5° |
| N1 | C6 | O1 | 120.5° | 120.0° |
| C6 | N1 | C5 | 122.9° | 120.0° |
| C6 | N1 | H11 | 118.6° | 120.0° |
| C4 | C5 | N1 | 106.9° | 109.5° |
| C4 | C5 | C13 | 109.8° | 109.5° |
| C5 | C4 | H1 | 108.1° | 109.4° |
| C5 | C4 | H2 | 108.1° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| N1 | C5 | C13 | 113.1° | 109.5° |
| N1 | C5 | H5 | 109.7° | 109.5° |
| C5 | N1 | H11 | 118.5° | 119.9° |
| C5 | C13 | O2 | 119.3° | 120.0° |
| C13 | C5 | H5 | 108.6° | 109.5° |
| C15 | C14 | H3 | 108.7° | 109.5° |
| C15 | C14 | H4 | 108.7° | 109.4° |
| C14 | C15 | H20 | 109.1° | 109.5° |
| C14 | C15 | H21 | 109.1° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.4° | 109.5° |
| H12 | C3 | H14 | 109.5° | 109.4° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H18 | 109.4° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.4° | 109.4° |
| C8 | C9 | C10 | 90.0° | 109.5° |
| C9 | C8 | H8 | 118.6° | 109.5° |
| C9 | C8 | H9 | 118.6° | 109.5° |
| C8 | C9 | H10 | 90.0° | 109.5° |
| C8 | C9 | H38 | 90.0° | 109.5° |
| C9 | C10 | N2 | 90.0° | 109.5° |
| C10 | C9 | H10 | 90.0° | 109.4° |
| C10 | C9 | H38 | 90.0° | 109.5° |
| C9 | C10 | H39 | 90.0° | 109.5° |
| C9 | C10 | H40 | 90.0° | 109.5° |
| C10 | N2 | C11 | 90.0° | 111.0° |
| C10 | N2 | C12 | 90.0° | 110.9° |
| N2 | C10 | H39 | 90.0° | 109.4° |
| N2 | C10 | H40 | 90.0° | 109.5° |
| C11 | N2 | C12 | 90.0° | 111.0° |
| N2 | C11 | H41 | 90.0° | 109.5° |
| N2 | C11 | H42 | 90.0° | 109.5° |
| N2 | C11 | H43 | 90.0° | 109.5° |
| N2 | C12 | H44 | 90.0° | 109.5° |
| N2 | C12 | H45 | 90.0° | 109.4° |
| N2 | C12 | H46 | 90.0° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H38 | 90.0° | 109.5° |
| H39 | C10 | H40 | 90.0° | 109.4° |
| H41 | C11 | H42 | 90.0° | 109.4° |
| H41 | C11 | H43 | 90.0° | 109.5° |
| H42 | C11 | H43 | 90.0° | 109.5° |
| H44 | C12 | H45 | 90.0° | 109.4° |
| H44 | C12 | H46 | 90.0° | 109.5° |
| H45 | C12 | H46 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H35 | 180.0° | 179.9° |
| C29 | C28 | C27 | H34 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.3° | 0.2° |
| C29 | C28 | C27 | C26 | 2.1° | 0.0° |
| C29 | C28 | C27 | H33 | 177.9° | 179.9° |
| C28 | C29 | C30 | H36 | 178.7° | 180.0° |
| C30 | C29 | C28 | C27 | 1.2° | 0.1° |
| C29 | C30 | C31 | H36 | 180.0° | 179.8° |
| C29 | C30 | C31 | C26 | 2.3° | 0.5° |
| C30 | C29 | C28 | H34 | 178.8° | 180.0° |
| C29 | C30 | C31 | H37 | 177.7° | 180.0° |
| C28 | C27 | C26 | H33 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 3.1° | 0.3° |
| C28 | C27 | C26 | C25 | 176.4° | 179.9° |
| C27 | C28 | C29 | H35 | 178.8° | 180.0° |
| C30 | C31 | C26 | C27 | 3.2° | 0.5° |
| C30 | C31 | C26 | H37 | 180.0° | 179.5° |
| C30 | C31 | C26 | C25 | 176.6° | 179.7° |
| C31 | C30 | C29 | H35 | 178.7° | 179.7° |
| C27 | C26 | C31 | C25 | 173.4° | 179.8° |
| C27 | C26 | C25 | N4 | 125.2° | 84.8° |
| C27 | C26 | C25 | H31 | 114.9° | 35.3° |
| C27 | C26 | C25 | H32 | 5.3° | 155.2° |
| C26 | C27 | C28 | H34 | 177.9° | 179.9° |
| C27 | C26 | C31 | H37 | 176.8° | 179.9° |
| C31 | C26 | C25 | N4 | 48.1° | 95.5° |
| C31 | C26 | C25 | H31 | 71.8° | 144.5° |
| C31 | C26 | C25 | H32 | 168.0° | 24.5° |
| C31 | C26 | C27 | H33 | 177.0° | 179.8° |
| C26 | C31 | C30 | H36 | 177.7° | 179.7° |
| C26 | C25 | N4 | H31 | 119.9° | 120.1° |
| C26 | C25 | N4 | H32 | 119.9° | 120.0° |
| C26 | C25 | N4 | C18 | 53.3° | 84.7° |
| C26 | C25 | N4 | C17 | 127.4° | 95.2° |
| C26 | C25 | H31 | H32 | 120.4° | 120.0° |
| C25 | C26 | C27 | H33 | 3.6° | 0.1° |
| C25 | C26 | C31 | H37 | 3.4° | 0.2° |
| C25 | N4 | C18 | C17 | 179.3° | 179.9° |
| C25 | N4 | C18 | C19 | 135.8° | 90.0° |
| C25 | N4 | C17 | C16 | 24.6° | 5.4° |
| C25 | N4 | C17 | O3 | 150.5° | 174.7° |
| C25 | N4 | C18 | H24 | 15.2° | 29.9° |
| C25 | N4 | C18 | H25 | 103.7° | 150.0° |
| N4 | C25 | H31 | H32 | 120.3° | 120.0° |
| N4 | C18 | C19 | H24 | 120.6° | 120.0° |
| N4 | C18 | C19 | H25 | 120.5° | 120.0° |
| N4 | C18 | C19 | C24 | 64.0° | 90.0° |
| N4 | C18 | C19 | C20 | 114.1° | 89.7° |
| C18 | N4 | C17 | C16 | 156.2° | 174.7° |
| C18 | N4 | C17 | O3 | 28.8° | 5.3° |
| N4 | C18 | H24 | H25 | 118.3° | 120.1° |
| C18 | N4 | C25 | H31 | 173.2° | 35.4° |
| C18 | N4 | C25 | H32 | 66.6° | 155.3° |
| C19 | C18 | N4 | C17 | 43.6° | 90.1° |
| C18 | C19 | C24 | C20 | 178.2° | 179.7° |
| C18 | C19 | C24 | C23 | 179.9° | 179.8° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C19 | C18 | H24 | H25 | 118.3° | 120.0° |
| C18 | C19 | C20 | H26 | 0.4° | 0.0° |
| C18 | C19 | C24 | H30 | 0.1° | 0.0° |
| N4 | C17 | C16 | O3 | 175.2° | 180.0° |
| N4 | C17 | C16 | C15 | 139.3° | 174.9° |
| N4 | C17 | C16 | H22 | 101.1° | 54.9° |
| N4 | C17 | C16 | H23 | 19.7° | 65.1° |
| C17 | N4 | C18 | H24 | 164.1° | 150.0° |
| C17 | N4 | C18 | H25 | 77.0° | 29.9° |
| C17 | N4 | C25 | H31 | 7.5° | 144.7° |
| C17 | N4 | C25 | H32 | 112.6° | 24.8° |
| C8 | C7 | C6 | H6 | 120.6° | 120.0° |
| C8 | C7 | C6 | H7 | 120.6° | 120.0° |
| C8 | C7 | C6 | N1 | 77.6° | 180.0° |
| C8 | C7 | C6 | O1 | 105.3° | 0.0° |
| C7 | C8 | C9 | H8 | 111.5° | 120.0° |
| C7 | C8 | C9 | H9 | 111.5° | 120.0° |
| C7 | C8 | C9 | C10 | 90.0° | 180.0° |
| C8 | C7 | H6 | H7 | 118.1° | 120.0° |
| C7 | C8 | H8 | H9 | 140.6° | 120.0° |
| C7 | C8 | C9 | H10 | 90.0° | 60.0° |
| C7 | C8 | C9 | H38 | 90.0° | 60.0° |
| C19 | C24 | C23 | H30 | 180.0° | 179.8° |
| C24 | C19 | C20 | C21 | 1.4° | 0.2° |
| C19 | C24 | C23 | C22 | 0.5° | 0.4° |
| C24 | C19 | C18 | H24 | 56.5° | 30.0° |
| C24 | C19 | C18 | H25 | 175.4° | 150.0° |
| C24 | C19 | C20 | H26 | 178.6° | 179.8° |
| C19 | C24 | C23 | H29 | 179.5° | 179.7° |
| C20 | C19 | C24 | C23 | 1.7° | 0.5° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C18 | H24 | 125.3° | 150.3° |
| C20 | C19 | C18 | H25 | 6.4° | 30.3° |
| C19 | C20 | C21 | H27 | 179.9° | 180.0° |
| C20 | C19 | C24 | H30 | 178.3° | 179.7° |
| C1 | C2 | C4 | C3 | 122.8° | 120.0° |
| C1 | C2 | C4 | H19 | 118.3° | 120.0° |
| C1 | C2 | C3 | H19 | 119.9° | 120.1° |
| C1 | C2 | C4 | C5 | 68.3° | 65.0° |
| C1 | C2 | C4 | H1 | 52.5° | 175.0° |
| C1 | C2 | C4 | H2 | 170.9° | 55.0° |
| C1 | C2 | C3 | H12 | 180.0° | 60.0° |
| C1 | C2 | C3 | H13 | 60.0° | 180.0° |
| C1 | C2 | C3 | H14 | 60.0° | 59.9° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.1° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C24 | C23 | C22 | H29 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.1° | 0.2° |
| C24 | C23 | C22 | H28 | 179.0° | 179.8° |
| C20 | C21 | C22 | C23 | 1.4° | 0.0° |
| C20 | C21 | C22 | H27 | 180.0° | 180.0° |
| C20 | C21 | C22 | H28 | 178.7° | 180.0° |
| C17 | C16 | C15 | H22 | 119.6° | 120.0° |
| C17 | C16 | C15 | H23 | 119.6° | 120.1° |
| C17 | C16 | C15 | C14 | 75.5° | 180.0° |
| C17 | C16 | C15 | H20 | 44.7° | 60.0° |
| C17 | C16 | C15 | H21 | 164.4° | 60.0° |
| C17 | C16 | H22 | H23 | 121.2° | 120.0° |
| O3 | C17 | C16 | C15 | 35.9° | 5.1° |
| O3 | C17 | C16 | H22 | 83.7° | 125.1° |
| O3 | C17 | C16 | H23 | 155.5° | 114.9° |
| C7 | C6 | N1 | O1 | 177.2° | 180.0° |
| C7 | C6 | N1 | C5 | 9.8° | 180.0° |
| C7 | C6 | N1 | H11 | 170.2° | 0.0° |
| C6 | C7 | C8 | C9 | 18.5° | 180.0° |
| C6 | C7 | H6 | H7 | 118.1° | 120.0° |
| C6 | C7 | C8 | H8 | 130.0° | 60.0° |
| C6 | C7 | C8 | H9 | 93.0° | 60.0° |
| C16 | C15 | C14 | N3 | 75.6° | 180.0° |
| C16 | C15 | C14 | H20 | 120.2° | 120.0° |
| C16 | C15 | C14 | H21 | 120.2° | 120.1° |
| C16 | C15 | C14 | H3 | 164.0° | 60.0° |
| C16 | C15 | C14 | H4 | 44.8° | 60.0° |
| C16 | C15 | H20 | H21 | 119.4° | 120.0° |
| C15 | C16 | H22 | H23 | 121.2° | 120.0° |
| C23 | C22 | C21 | H28 | 180.0° | 180.0° |
| C23 | C22 | C21 | H27 | 178.6° | 180.0° |
| C22 | C23 | C24 | H30 | 179.5° | 179.8° |
| C22 | C21 | C20 | H26 | 179.9° | 180.0° |
| C21 | C22 | C23 | H29 | 178.9° | 180.0° |
| C14 | N3 | C13 | H15 | 180.0° | 180.0° |
| C14 | N3 | C13 | C5 | 176.0° | 180.0° |
| N3 | C14 | C15 | H3 | 120.4° | 120.0° |
| N3 | C14 | C15 | H4 | 120.4° | 120.0° |
| C14 | N3 | C13 | O2 | 0.9° | 0.1° |
| N3 | C14 | H3 | H4 | 118.6° | 120.0° |
| N3 | C14 | C15 | H20 | 164.2° | 60.0° |
| N3 | C14 | C15 | H21 | 44.6° | 60.0° |
| N3 | C13 | C5 | C4 | 94.9° | 60.0° |
| N3 | C13 | C5 | N1 | 145.9° | 180.0° |
| N3 | C13 | C5 | O2 | 175.3° | 179.9° |
| C13 | N3 | C14 | C15 | 115.9° | 180.0° |
| C13 | N3 | C14 | H3 | 4.5° | 60.0° |
| C13 | N3 | C14 | H4 | 123.7° | 60.0° |
| N3 | C13 | C5 | H5 | 23.9° | 60.0° |
| C4 | C2 | C3 | H19 | 119.0° | 120.0° |
| C2 | C4 | C5 | H1 | 120.8° | 120.0° |
| C2 | C4 | C5 | H2 | 120.8° | 120.1° |
| C2 | C4 | C5 | N1 | 51.3° | 65.0° |
| C2 | C4 | C5 | C13 | 174.3° | 175.0° |
| C2 | C4 | H1 | H2 | 117.5° | 120.0° |
| C2 | C4 | C5 | H5 | 67.0° | 55.0° |
| C4 | C2 | C3 | H12 | 58.9° | 180.0° |
| C4 | C2 | C3 | H13 | 61.1° | 60.0° |
| C4 | C2 | C3 | H14 | 178.9° | 60.0° |
| C4 | C2 | C1 | H16 | 180.0° | 60.0° |
| C4 | C2 | C1 | H17 | 60.0° | 180.0° |
| C4 | C2 | C1 | H18 | 60.0° | 60.1° |
| C3 | C2 | C4 | C5 | 168.9° | 175.0° |
| C3 | C2 | C4 | H1 | 70.3° | 55.0° |
| C3 | C2 | C4 | H2 | 48.1° | 65.0° |
| C2 | C3 | H12 | H13 | 120.0° | 120.0° |
| C2 | C3 | H12 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.1° |
| C3 | C2 | C1 | H16 | 58.2° | 180.0° |
| C3 | C2 | C1 | H17 | 61.9° | 60.1° |
| C3 | C2 | C1 | H18 | 178.1° | 59.9° |
| C6 | N1 | C5 | C4 | 156.4° | 85.0° |
| C6 | N1 | C5 | H11 | 180.0° | 180.0° |
| C6 | N1 | C5 | C13 | 82.6° | 155.0° |
| C6 | N1 | C5 | H5 | 38.8° | 35.0° |
| N1 | C6 | C7 | H6 | 161.8° | 60.0° |
| N1 | C6 | C7 | H7 | 43.1° | 60.0° |
| O1 | C6 | N1 | C5 | 167.4° | 0.0° |
| O1 | C6 | N1 | H11 | 12.6° | 180.0° |
| O1 | C6 | C7 | H6 | 15.3° | 119.9° |
| O1 | C6 | C7 | H7 | 134.1° | 120.0° |
| C4 | C5 | N1 | C13 | 121.0° | 120.0° |
| C4 | C5 | N1 | H5 | 117.6° | 120.0° |
| C4 | C5 | C13 | H5 | 118.7° | 120.0° |
| C4 | C5 | C13 | O2 | 80.4° | 120.0° |
| C5 | C4 | H1 | H2 | 117.6° | 120.0° |
| C4 | C5 | N1 | H11 | 23.6° | 95.0° |
| C5 | C4 | C2 | H19 | 50.0° | 55.0° |
| N1 | C5 | C13 | H5 | 122.0° | 120.0° |
| N1 | C5 | C13 | O2 | 38.9° | 0.0° |
| N1 | C5 | C4 | H1 | 172.0° | 55.0° |
| N1 | C5 | C4 | H2 | 69.5° | 175.0° |
| C13 | C5 | C4 | H1 | 64.9° | 65.0° |
| C13 | C5 | C4 | H2 | 53.5° | 55.0° |
| C13 | C5 | N1 | H11 | 97.4° | 25.0° |
| C5 | C13 | N3 | H15 | 4.0° | 0.0° |
| C15 | C14 | H3 | H4 | 118.7° | 120.0° |
| C15 | C14 | N3 | H15 | 64.1° | 0.0° |
| C14 | C15 | H20 | H21 | 119.4° | 120.0° |
| C14 | C15 | C16 | H22 | 165.0° | 60.0° |
| C14 | C15 | C16 | H23 | 44.1° | 60.0° |
| O2 | C13 | C5 | H5 | 160.9° | 120.0° |
| O2 | C13 | N3 | H15 | 179.1° | 180.0° |
| H1 | C4 | C5 | H5 | 53.8° | 175.0° |
| H1 | C4 | C2 | H19 | 170.8° | 65.0° |
| H2 | C4 | C5 | H5 | 172.2° | 65.1° |
| H2 | C4 | C2 | H19 | 70.8° | 175.0° |
| H3 | C14 | N3 | H15 | 175.5° | 120.0° |
| H3 | C14 | C15 | H20 | 43.8° | 180.0° |
| H3 | C14 | C15 | H21 | 75.8° | 60.1° |
| H4 | C14 | N3 | H15 | 56.4° | 120.0° |
| H4 | C14 | C15 | H20 | 75.4° | 60.0° |
| H4 | C14 | C15 | H21 | 165.0° | 180.0° |
| H5 | C5 | N1 | H11 | 141.2° | 145.0° |
| H12 | C3 | H13 | H14 | 120.0° | 119.9° |
| H12 | C3 | C2 | H19 | 60.1° | 60.0° |
| H13 | C3 | C2 | H19 | 179.9° | 60.0° |
| H14 | C3 | C2 | H19 | 59.9° | 180.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H16 | C1 | C2 | H19 | 61.7° | 59.9° |
| H17 | C1 | C2 | H19 | 178.3° | 60.0° |
| H18 | C1 | C2 | H19 | 58.3° | 180.0° |
| H20 | C15 | C16 | H22 | 74.9° | 180.0° |
| H20 | C15 | C16 | H23 | 164.3° | 60.0° |
| H21 | C15 | C16 | H22 | 44.8° | 60.0° |
| H21 | C15 | C16 | H23 | 76.1° | 180.0° |
| H26 | C20 | C21 | H27 | 0.1° | 0.0° |
| H27 | C21 | C22 | H28 | 1.3° | 0.0° |
| H28 | C22 | C23 | H29 | 1.1° | 0.1° |
| H29 | C23 | C24 | H30 | 0.5° | 0.1° |
| H33 | C27 | C28 | H34 | 2.1° | 0.1° |
| H34 | C28 | C29 | H35 | 1.2° | 0.1° |
| H35 | C29 | C30 | H36 | 1.3° | 0.1° |
| H36 | C30 | C31 | H37 | 2.3° | 0.2° |
| C8 | C9 | C10 | H10 | 90.0° | 120.0° |
| C8 | C9 | C10 | H38 | 90.0° | 120.0° |
| C8 | C9 | C10 | N2 | 90.0° | 180.0° |
| C9 | C8 | C7 | H6 | 139.1° | 60.0° |
| C9 | C8 | C7 | H7 | 102.1° | 60.0° |
| C9 | C8 | H8 | H9 | 140.6° | 120.0° |
| C8 | C9 | H10 | H38 | 90.0° | 120.0° |
| C8 | C9 | C10 | H39 | 90.0° | 60.0° |
| C8 | C9 | C10 | H40 | 90.0° | 59.9° |
| C9 | C10 | N2 | H39 | 90.0° | 120.0° |
| C9 | C10 | N2 | H40 | 90.0° | 120.1° |
| C9 | C10 | N2 | C11 | 90.0° | 170.0° |
| C9 | C10 | N2 | C12 | 90.0° | 66.1° |
| C10 | C9 | C8 | H8 | 90.0° | 60.0° |
| C10 | C9 | C8 | H9 | 90.0° | 60.0° |
| C10 | C9 | H10 | H38 | 90.0° | 120.0° |
| C9 | C10 | H39 | H40 | 90.0° | 120.0° |
| C10 | N2 | C11 | C12 | 90.0° | 123.9° |
| N2 | C10 | C9 | H10 | 90.0° | 60.1° |
| N2 | C10 | C9 | H38 | 90.0° | 59.9° |
| N2 | C10 | H39 | H40 | 90.0° | 120.0° |
| C10 | N2 | C11 | H41 | 90.0° | 60.0° |
| C10 | N2 | C11 | H42 | 90.0° | 179.9° |
| C10 | N2 | C11 | H43 | 90.0° | 60.0° |
| C10 | N2 | C12 | H44 | 90.0° | 60.0° |
| C10 | N2 | C12 | H45 | 90.0° | 180.0° |
| C10 | N2 | C12 | H46 | 90.0° | 60.0° |
| C11 | N2 | C10 | H39 | 90.0° | 50.0° |
| C11 | N2 | C10 | H40 | 90.0° | 69.9° |
| N2 | C11 | H41 | H42 | 90.0° | 120.0° |
| N2 | C11 | H41 | H43 | 90.0° | 120.1° |
| N2 | C11 | H42 | H43 | 90.0° | 120.1° |
| C11 | N2 | C12 | H44 | 90.0° | 176.0° |
| C11 | N2 | C12 | H45 | 90.0° | 56.1° |
| C11 | N2 | C12 | H46 | 90.0° | 63.9° |
| C12 | N2 | C10 | H39 | 90.0° | 173.9° |
| C12 | N2 | C10 | H40 | 90.0° | 54.0° |
| C12 | N2 | C11 | H41 | 90.0° | 63.9° |
| C12 | N2 | C11 | H42 | 90.0° | 56.1° |
| C12 | N2 | C11 | H43 | 90.0° | 176.1° |
| N2 | C12 | H44 | H45 | 90.0° | 119.9° |
| N2 | C12 | H44 | H46 | 90.0° | 120.1° |
| N2 | C12 | H45 | H46 | 90.0° | 120.0° |
| H6 | C7 | C8 | H8 | 109.4° | 179.9° |
| H6 | C7 | C8 | H9 | 27.6° | 59.9° |
| H7 | C7 | C8 | H8 | 9.4° | 60.0° |
| H7 | C7 | C8 | H9 | 146.4° | 180.0° |
| H8 | C8 | C9 | H10 | 90.0° | 179.9° |
| H8 | C8 | C9 | H38 | 90.0° | 60.1° |
| H9 | C8 | C9 | H10 | 90.0° | 60.0° |
| H9 | C8 | C9 | H38 | 90.0° | 180.0° |
| H10 | C9 | C10 | H39 | 90.0° | 180.0° |
| H10 | C9 | C10 | H40 | 90.0° | 60.0° |
| H38 | C9 | C10 | H39 | 90.0° | 60.0° |
| H38 | C9 | C10 | H40 | 90.0° | 180.0° |
| H41 | C11 | H42 | H43 | 90.0° | 120.0° |
| H44 | C12 | H45 | H46 | 90.0° | 120.0° |
