UL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.54Å | 1.53Å | |
| C28 | C29 | sing | 1.55Å | 1.43Å | |
| C27 | C25 | sing | 1.54Å | 1.54Å | |
| O1 | C26 | doub | 1.21Å | 1.22Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | O | sing | 1.34Å | 1.32Å | |
| C29 | C30 | sing | 1.55Å | 1.51Å | |
| C25 | C30 | sing | 1.54Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.58Å | |
| C24 | N3 | sing | 1.47Å | 1.51Å | |
| N3 | C6 | sing | 1.49Å | 1.54Å | |
| N3 | C23 | sing | 1.48Å | 1.56Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C23 | C7 | sing | 1.54Å | 1.52Å | |
| C5 | C7 | sing | 1.55Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C31 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C9 | sing | 1.47Å | 1.48Å | |
| N | C22 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.36Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | doub | 1.35Å | 1.37Å | Aromatic |
| C13 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C21 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | doub | 1.31Å | 1.30Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| N2 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| O | H26 | sing | 0.97Å | 0.95Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C2 | H36 | sing | 1.08Å | 1.08Å | |
| C1 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | H38 | sing | 1.08Å | 1.08Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H48 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 105.7° | 104.2° |
| C28 | C27 | C25 | 106.2° | 106.6° |
| C27 | C28 | H24 | 110.4° | 110.4° |
| C27 | C28 | H25 | 110.4° | 110.5° |
| C28 | C27 | H31 | 110.3° | 110.1° |
| C28 | C27 | H32 | 110.3° | 110.0° |
| C28 | C29 | C30 | 102.8° | 102.7° |
| C29 | C28 | H24 | 110.4° | 110.6° |
| C29 | C28 | H25 | 110.4° | 110.5° |
| C28 | C29 | H29 | 111.1° | 110.7° |
| C28 | C29 | H30 | 111.1° | 110.7° |
| C27 | C25 | C26 | 104.2° | 110.0° |
| C27 | C25 | C30 | 102.3° | 106.6° |
| C27 | C25 | C24 | 103.7° | 110.1° |
| C25 | C27 | H31 | 110.3° | 110.0° |
| C25 | C27 | H32 | 110.3° | 110.0° |
| O1 | C26 | C25 | 122.8° | 120.0° |
| O1 | C26 | O | 121.8° | 120.0° |
| C25 | C26 | O | 115.5° | 120.0° |
| C26 | C25 | C30 | 114.1° | 110.0° |
| C26 | C25 | C24 | 114.9° | 110.0° |
| C26 | O | H26 | 109.5° | 117.0° |
| C29 | C30 | C25 | 104.6° | 104.2° |
| C29 | C30 | H27 | 110.7° | 110.5° |
| C29 | C30 | H28 | 110.6° | 110.6° |
| C30 | C29 | H29 | 111.1° | 110.8° |
| C30 | C29 | H30 | 111.1° | 110.8° |
| C30 | C25 | C24 | 115.4° | 110.0° |
| C25 | C30 | H27 | 110.7° | 110.5° |
| C25 | C30 | H28 | 110.7° | 110.5° |
| C25 | C24 | N3 | 122.2° | 109.5° |
| C25 | C24 | H22 | 106.2° | 109.5° |
| C25 | C24 | H23 | 106.2° | 109.4° |
| C24 | N3 | C6 | 120.0° | 111.0° |
| C24 | N3 | C23 | 114.4° | 111.0° |
| N3 | C24 | H22 | 106.2° | 109.5° |
| N3 | C24 | H23 | 106.2° | 109.5° |
| C6 | N3 | C23 | 102.7° | 105.8° |
| N3 | C6 | C5 | 103.3° | 103.2° |
| N3 | C6 | H3 | 111.0° | 110.7° |
| N3 | C6 | H4 | 111.0° | 110.6° |
| N3 | C23 | C7 | 105.6° | 107.1° |
| N3 | C23 | H33 | 110.4° | 109.9° |
| N3 | C23 | H34 | 110.4° | 109.9° |
| C6 | C5 | C7 | 107.2° | 102.9° |
| C6 | C5 | C4 | 109.3° | 110.7° |
| C6 | C5 | H2 | 107.7° | 110.9° |
| C5 | C6 | H3 | 111.0° | 110.7° |
| C5 | C6 | H4 | 111.0° | 110.6° |
| C23 | C7 | C5 | 105.9° | 105.1° |
| C23 | C7 | C8 | 114.7° | 110.3° |
| C23 | C7 | H5 | 108.2° | 110.4° |
| C7 | C23 | H33 | 110.4° | 109.9° |
| C7 | C23 | H34 | 110.4° | 110.0° |
| C7 | C5 | C4 | 116.6° | 110.7° |
| C5 | C7 | C8 | 111.6° | 110.3° |
| C7 | C5 | H2 | 107.6° | 110.7° |
| C5 | C7 | H5 | 108.0° | 110.3° |
| C5 | C4 | C3 | 121.5° | 120.0° |
| C5 | C4 | C31 | 119.5° | 120.0° |
| C4 | C5 | H2 | 108.0° | 110.7° |
| C7 | C8 | N | 117.5° | 109.5° |
| C8 | C7 | H5 | 108.1° | 110.3° |
| C7 | C8 | H6 | 107.4° | 109.5° |
| C7 | C8 | H7 | 107.4° | 109.5° |
| C3 | C4 | C31 | 119.0° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C4 | C3 | H35 | 119.6° | 119.9° |
| C4 | C31 | C | 118.8° | 120.0° |
| C4 | C31 | H38 | 120.6° | 120.0° |
| C3 | C2 | C1 | 120.4° | 120.0° |
| C2 | C3 | H35 | 119.7° | 120.0° |
| C3 | C2 | H36 | 119.8° | 120.0° |
| C8 | N | C9 | 116.7° | 111.0° |
| C8 | N | C22 | 109.7° | 111.0° |
| N | C8 | H6 | 107.4° | 109.5° |
| N | C8 | H7 | 107.4° | 109.5° |
| C31 | C | C1 | 123.3° | 120.0° |
| C31 | C | F | 118.1° | 120.0° |
| C | C31 | H38 | 120.6° | 120.1° |
| C2 | C1 | C | 117.8° | 119.9° |
| C1 | C2 | H36 | 119.8° | 120.0° |
| C2 | C1 | H37 | 121.1° | 120.0° |
| C9 | N | C22 | 108.9° | 111.2° |
| N | C9 | C10 | 111.1° | 109.5° |
| N | C9 | H41 | 109.1° | 109.5° |
| N | C9 | H42 | 109.1° | 109.5° |
| N | C22 | C21 | 111.0° | 109.5° |
| N | C22 | H20 | 109.1° | 109.5° |
| N | C22 | H21 | 109.1° | 109.5° |
| C15 | C14 | C13 | 113.4° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.4° | 109.5° |
| C15 | C14 | H48 | 108.5° | 109.5° |
| C15 | C14 | H49 | 108.5° | 109.5° |
| C1 | C | F | 118.6° | 120.0° |
| C | C1 | H37 | 121.1° | 120.0° |
| C14 | C13 | C12 | 133.9° | 126.0° |
| C14 | C13 | C16 | 122.6° | 126.1° |
| C13 | C14 | H48 | 108.5° | 109.5° |
| C13 | C14 | H49 | 108.5° | 109.5° |
| C9 | C10 | C11 | 110.8° | 109.3° |
| C9 | C10 | H8 | 109.1° | 109.5° |
| C9 | C10 | H9 | 109.2° | 109.6° |
| C10 | C9 | H41 | 109.1° | 109.4° |
| C10 | C9 | H42 | 109.1° | 109.4° |
| C10 | C11 | C21 | 111.0° | 109.1° |
| C10 | C11 | C12 | 110.3° | 109.5° |
| C11 | C10 | H8 | 109.2° | 109.5° |
| C11 | C10 | H9 | 109.1° | 109.5° |
| C10 | C11 | H40 | 107.8° | 109.5° |
| C22 | C21 | C11 | 110.6° | 109.3° |
| C22 | C21 | H18 | 109.2° | 109.5° |
| C22 | C21 | H19 | 109.2° | 109.6° |
| C21 | C22 | H20 | 109.1° | 109.4° |
| C21 | C22 | H21 | 109.1° | 109.5° |
| C12 | C13 | C16 | 103.4° | 107.9° |
| C13 | C12 | C11 | 132.5° | 126.2° |
| C13 | C12 | N2 | 107.5° | 107.7° |
| C13 | C16 | C17 | 124.2° | 125.9° |
| C13 | C16 | N1 | 112.3° | 108.2° |
| C21 | C11 | C12 | 111.5° | 109.5° |
| C11 | C21 | H18 | 109.2° | 109.5° |
| C11 | C21 | H19 | 109.2° | 109.5° |
| C21 | C11 | H40 | 107.8° | 109.5° |
| C11 | C12 | N2 | 120.0° | 126.1° |
| C12 | C11 | H40 | 108.3° | 109.6° |
| C12 | N2 | N1 | 111.7° | 107.9° |
| C12 | N2 | C19 | 129.4° | 126.1° |
| C16 | C17 | C18 | 114.6° | 109.5° |
| C17 | C16 | N1 | 123.4° | 125.9° |
| C16 | C17 | H13 | 108.2° | 109.5° |
| C16 | C17 | H14 | 108.2° | 109.5° |
| C18 | C17 | H13 | 108.2° | 109.4° |
| C18 | C17 | H14 | 108.2° | 109.5° |
| C17 | C18 | H45 | 109.5° | 109.4° |
| C17 | C18 | H46 | 109.5° | 109.5° |
| C17 | C18 | H47 | 109.5° | 109.5° |
| C16 | N1 | N2 | 105.1° | 108.2° |
| N1 | N2 | C19 | 118.8° | 126.0° |
| N2 | C19 | C20 | 112.0° | 109.5° |
| N2 | C19 | H43 | 108.8° | 109.5° |
| N2 | C19 | H44 | 108.8° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.4° | 109.4° |
| C19 | C20 | H17 | 109.5° | 109.5° |
| C20 | C19 | H43 | 108.8° | 109.4° |
| C20 | C19 | H44 | 108.8° | 109.5° |
| H3 | C6 | H4 | 109.5° | 110.7° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H17 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 110.5° |
| H27 | C30 | H28 | 109.5° | 110.4° |
| H29 | C29 | H30 | 109.5° | 110.8° |
| H31 | C27 | H32 | 109.5° | 110.0° |
| H33 | C23 | H34 | 109.5° | 110.0° |
| H41 | C9 | H42 | 109.5° | 109.4° |
| H43 | C19 | H44 | 109.5° | 109.5° |
| H45 | C18 | H46 | 109.5° | 109.5° |
| H45 | C18 | H47 | 109.5° | 109.4° |
| H46 | C18 | H47 | 109.5° | 109.5° |
| H48 | C14 | H49 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H24 | 119.4° | 118.6° |
| C27 | C28 | C29 | H25 | 119.4° | 118.7° |
| C28 | C27 | C25 | H31 | 119.5° | 119.3° |
| C28 | C27 | C25 | H32 | 119.5° | 119.3° |
| C28 | C27 | C25 | C26 | 121.8° | 119.3° |
| C27 | C28 | C29 | C30 | 40.6° | 38.0° |
| C28 | C27 | C25 | C30 | 2.8° | 0.0° |
| C28 | C27 | C25 | C24 | 117.6° | 119.3° |
| C27 | C28 | H24 | H25 | 121.8° | 122.6° |
| C27 | C28 | C29 | H29 | 78.3° | 156.3° |
| C27 | C28 | C29 | H30 | 159.5° | 80.4° |
| C28 | C27 | H31 | H32 | 121.6° | 121.4° |
| C29 | C28 | C27 | C25 | 23.6° | 23.6° |
| C28 | C29 | C30 | H29 | 118.9° | 118.3° |
| C28 | C29 | C30 | H30 | 118.9° | 118.3° |
| C28 | C29 | C30 | C25 | 42.5° | 37.9° |
| C29 | C28 | H24 | H25 | 121.7° | 122.7° |
| C28 | C29 | C30 | H27 | 161.8° | 156.6° |
| C28 | C29 | C30 | H28 | 76.7° | 80.8° |
| C28 | C29 | H29 | H30 | 123.1° | 123.3° |
| C29 | C28 | C27 | H31 | 143.1° | 95.7° |
| C29 | C28 | C27 | H32 | 95.8° | 142.9° |
| C27 | C25 | C26 | O1 | 42.1° | 126.8° |
| C27 | C25 | C26 | C30 | 110.7° | 117.1° |
| C27 | C25 | C26 | C24 | 112.7° | 121.5° |
| C27 | C25 | C26 | O | 137.9° | 53.2° |
| C27 | C25 | C30 | C29 | 26.9° | 23.6° |
| C27 | C25 | C30 | C24 | 111.8° | 119.4° |
| C27 | C25 | C24 | N3 | 174.4° | 175.8° |
| C27 | C25 | C24 | H22 | 63.9° | 64.2° |
| C27 | C25 | C24 | H23 | 52.6° | 55.8° |
| C25 | C27 | C28 | H24 | 143.0° | 142.4° |
| C25 | C27 | C28 | H25 | 95.8° | 95.1° |
| C27 | C25 | C30 | H27 | 146.1° | 142.3° |
| C27 | C25 | C30 | H28 | 92.3° | 95.3° |
| C25 | C27 | H31 | H32 | 121.5° | 121.4° |
| O1 | C26 | C25 | O | 179.9° | 180.0° |
| O1 | C26 | C25 | C30 | 152.7° | 116.1° |
| O1 | C26 | C25 | C24 | 70.7° | 5.2° |
| O1 | C26 | O | H26 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 138.7° | 95.7° |
| C26 | C25 | C30 | C24 | 136.3° | 121.4° |
| C26 | C25 | C24 | N3 | 72.6° | 54.3° |
| C26 | C25 | C24 | H22 | 49.2° | 174.4° |
| C26 | C25 | C24 | H23 | 165.7° | 65.6° |
| C25 | C26 | O | H26 | 179.9° | 180.0° |
| C26 | C25 | C30 | H27 | 102.1° | 23.0° |
| C26 | C25 | C30 | H28 | 19.5° | 145.5° |
| C26 | C25 | C27 | H31 | 2.3° | 0.0° |
| C26 | C25 | C27 | H32 | 118.7° | 121.4° |
| O | C26 | C25 | C30 | 27.2° | 63.9° |
| O | C26 | C25 | C24 | 109.4° | 174.7° |
| C29 | C30 | C25 | H27 | 119.2° | 118.7° |
| C29 | C30 | C25 | H28 | 119.2° | 118.8° |
| C29 | C30 | C25 | C24 | 85.0° | 143.0° |
| C30 | C29 | C28 | H24 | 160.0° | 156.6° |
| C30 | C29 | C28 | H25 | 78.8° | 80.8° |
| C29 | C30 | H27 | H28 | 122.2° | 122.7° |
| C30 | C29 | H29 | H30 | 123.1° | 123.4° |
| C30 | C25 | C24 | N3 | 63.4° | 67.0° |
| C30 | C25 | C24 | H22 | 174.9° | 53.0° |
| C30 | C25 | C24 | H23 | 58.4° | 173.0° |
| C25 | C30 | H27 | H28 | 122.2° | 122.5° |
| C25 | C30 | C29 | H29 | 76.4° | 156.2° |
| C25 | C30 | C29 | H30 | 161.5° | 80.4° |
| C30 | C25 | C27 | H31 | 116.7° | 119.3° |
| C30 | C25 | C27 | H32 | 122.2° | 119.3° |
| C25 | C24 | N3 | H22 | 121.8° | 120.0° |
| C25 | C24 | N3 | H23 | 121.8° | 120.0° |
| C25 | C24 | N3 | C6 | 19.1° | 77.0° |
| C25 | C24 | N3 | C23 | 103.6° | 165.6° |
| C25 | C24 | H22 | H23 | 114.3° | 119.9° |
| C24 | C25 | C30 | H27 | 34.3° | 98.4° |
| C24 | C25 | C30 | H28 | 155.8° | 24.1° |
| C24 | C25 | C27 | H31 | 122.9° | 121.4° |
| C24 | C25 | C27 | H32 | 1.9° | 0.0° |
| C24 | N3 | C6 | C23 | 128.2° | 120.5° |
| C24 | N3 | C6 | C5 | 166.8° | 159.7° |
| C24 | N3 | C23 | C7 | 167.2° | 145.8° |
| C24 | N3 | C6 | H3 | 47.8° | 41.3° |
| C24 | N3 | C6 | H4 | 74.2° | 81.9° |
| N3 | C24 | H22 | H23 | 114.2° | 120.0° |
| C24 | N3 | C23 | H33 | 73.4° | 94.8° |
| C24 | N3 | C23 | H34 | 47.8° | 26.4° |
| N3 | C6 | C5 | H3 | 119.0° | 118.5° |
| N3 | C6 | C5 | H4 | 119.0° | 118.4° |
| C6 | N3 | C23 | C7 | 35.5° | 25.4° |
| N3 | C6 | C5 | C7 | 28.1° | 37.4° |
| N3 | C6 | C5 | C4 | 155.3° | 155.8° |
| N3 | C6 | C5 | H2 | 87.6° | 81.0° |
| N3 | C6 | H3 | H4 | 122.9° | 123.1° |
| C6 | N3 | C24 | H22 | 102.6° | 43.0° |
| C6 | N3 | C24 | H23 | 140.9° | 163.0° |
| C6 | N3 | C23 | H33 | 154.9° | 144.7° |
| C6 | N3 | C23 | H34 | 83.9° | 94.1° |
| C23 | N3 | C6 | C5 | 38.5° | 39.2° |
| N3 | C23 | C7 | H33 | 119.4° | 119.3° |
| N3 | C23 | C7 | H34 | 119.4° | 119.4° |
| N3 | C23 | C7 | C5 | 18.2° | 1.3° |
| N3 | C23 | C7 | C8 | 105.4° | 117.7° |
| C23 | N3 | C6 | H3 | 80.5° | 79.2° |
| C23 | N3 | C6 | H4 | 157.6° | 157.6° |
| N3 | C23 | C7 | H5 | 133.9° | 120.2° |
| C23 | N3 | C24 | H22 | 134.7° | 74.3° |
| C23 | N3 | C24 | H23 | 18.2° | 45.7° |
| N3 | C23 | H33 | H34 | 121.8° | 121.2° |
| C6 | C5 | C7 | C23 | 6.0° | 21.9° |
| C6 | C5 | C7 | C4 | 122.8° | 118.3° |
| C6 | C5 | C7 | H2 | 115.7° | 118.5° |
| C6 | C5 | C4 | H2 | 117.0° | 123.4° |
| C6 | C5 | C7 | C8 | 131.6° | 140.9° |
| C6 | C5 | C4 | C3 | 75.2° | 126.6° |
| C6 | C5 | C4 | C31 | 103.6° | 53.8° |
| C5 | C6 | H3 | H4 | 122.9° | 123.1° |
| C6 | C5 | C7 | H5 | 109.8° | 97.0° |
| C23 | C7 | C5 | C8 | 125.5° | 119.0° |
| C23 | C7 | C5 | H5 | 115.8° | 119.0° |
| C23 | C7 | C5 | C4 | 128.9° | 140.3° |
| C23 | C7 | C8 | H5 | 120.9° | 122.2° |
| C23 | C7 | C8 | N | 74.0° | 68.8° |
| C23 | C7 | C5 | H2 | 109.7° | 96.6° |
| C23 | C7 | C8 | H6 | 164.9° | 171.1° |
| C23 | C7 | C8 | H7 | 47.2° | 51.2° |
| C7 | C23 | H33 | H34 | 121.8° | 121.2° |
| C7 | C5 | C4 | H2 | 121.3° | 123.2° |
| C5 | C7 | C8 | H5 | 118.6° | 122.1° |
| C7 | C5 | C4 | C3 | 46.6° | 120.0° |
| C7 | C5 | C4 | C31 | 134.6° | 59.7° |
| C5 | C7 | C8 | N | 165.5° | 175.4° |
| C7 | C5 | C6 | H3 | 90.9° | 81.0° |
| C7 | C5 | C6 | H4 | 147.1° | 155.8° |
| C5 | C7 | C8 | H6 | 44.4° | 55.4° |
| C5 | C7 | C8 | H7 | 73.3° | 64.6° |
| C5 | C7 | C23 | H33 | 137.6° | 120.6° |
| C5 | C7 | C23 | H34 | 101.2° | 118.1° |
| C4 | C5 | C7 | C8 | 105.6° | 100.8° |
| C5 | C4 | C3 | C31 | 178.8° | 179.6° |
| C5 | C4 | C3 | C2 | 178.5° | 179.7° |
| C5 | C4 | C31 | C | 179.4° | 179.8° |
| C4 | C5 | C6 | H3 | 36.3° | 37.3° |
| C4 | C5 | C6 | H4 | 85.7° | 85.8° |
| C4 | C5 | C7 | H5 | 13.1° | 21.3° |
| C5 | C4 | C3 | H35 | 1.5° | 0.4° |
| C5 | C4 | C31 | H38 | 0.6° | 0.4° |
| C7 | C8 | N | H6 | 121.1° | 120.0° |
| C7 | C8 | N | H7 | 121.2° | 120.0° |
| C7 | C8 | N | C9 | 30.3° | 75.6° |
| C7 | C8 | N | C22 | 154.7° | 160.2° |
| C8 | C7 | C5 | H2 | 15.9° | 22.4° |
| C7 | C8 | H6 | H7 | 116.3° | 120.0° |
| C8 | C7 | C23 | H33 | 14.0° | 1.6° |
| C8 | C7 | C23 | H34 | 135.2° | 122.9° |
| C4 | C3 | C2 | H35 | 180.0° | 179.9° |
| C3 | C4 | C31 | C | 0.5° | 0.1° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H2 | 167.9° | 3.2° |
| C4 | C3 | C2 | H36 | 179.6° | 180.0° |
| C3 | C4 | C31 | H38 | 179.5° | 180.0° |
| C31 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C31 | C | H38 | 180.0° | 179.8° |
| C4 | C31 | C | C1 | 1.5° | 0.1° |
| C4 | C31 | C | F | 175.2° | 180.0° |
| C31 | C4 | C5 | H2 | 13.3° | 177.1° |
| C31 | C4 | C3 | H35 | 179.6° | 180.0° |
| C3 | C2 | C1 | H36 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.5° | 0.0° |
| C3 | C2 | C1 | H37 | 179.5° | 180.0° |
| C8 | N | C9 | C22 | 124.9° | 124.1° |
| C8 | N | C9 | C10 | 172.7° | 174.2° |
| C8 | N | C22 | C21 | 167.8° | 174.2° |
| N | C8 | C7 | H5 | 46.9° | 53.4° |
| N | C8 | H6 | H7 | 116.4° | 120.0° |
| C8 | N | C22 | H20 | 71.9° | 54.2° |
| C8 | N | C22 | H21 | 47.6° | 65.8° |
| C8 | N | C9 | H41 | 52.4° | 65.8° |
| C8 | N | C9 | H42 | 67.1° | 54.2° |
| C31 | C | C1 | C2 | 1.5° | 0.0° |
| C31 | C | C1 | F | 176.7° | 179.9° |
| C31 | C | C1 | H37 | 178.5° | 180.0° |
| C2 | C1 | C | H37 | 180.0° | 180.0° |
| C2 | C1 | C | F | 175.2° | 179.9° |
| C1 | C2 | C3 | H35 | 179.6° | 179.9° |
| N | C9 | C10 | H41 | 120.2° | 120.0° |
| N | C9 | C10 | H42 | 120.2° | 120.0° |
| N | C9 | C10 | C11 | 56.5° | 59.2° |
| C9 | N | C22 | C21 | 63.3° | 61.8° |
| C9 | N | C8 | H6 | 90.8° | 44.4° |
| C9 | N | C8 | H7 | 151.5° | 164.4° |
| N | C9 | C10 | H8 | 63.7° | 179.1° |
| N | C9 | C10 | H9 | 176.7° | 60.8° |
| C9 | N | C22 | H20 | 57.0° | 178.2° |
| C9 | N | C22 | H21 | 176.5° | 58.3° |
| N | C9 | H41 | H42 | 119.3° | 120.0° |
| C22 | N | C9 | C10 | 62.5° | 61.7° |
| N | C22 | C21 | H20 | 120.2° | 120.0° |
| N | C22 | C21 | H21 | 120.2° | 120.0° |
| N | C22 | C21 | C11 | 58.0° | 59.2° |
| C22 | N | C8 | H6 | 33.6° | 79.8° |
| C22 | N | C8 | H7 | 84.1° | 40.2° |
| N | C22 | C21 | H18 | 178.2° | 179.1° |
| N | C22 | C21 | H19 | 62.1° | 60.8° |
| N | C22 | H20 | H21 | 119.3° | 120.0° |
| C22 | N | C9 | H41 | 177.3° | 58.3° |
| C22 | N | C9 | H42 | 57.8° | 178.3° |
| C15 | C14 | C13 | H48 | 120.6° | 120.0° |
| C15 | C14 | C13 | H49 | 120.6° | 120.0° |
| C15 | C14 | C13 | C12 | 89.3° | 96.3° |
| C15 | C14 | C13 | C16 | 94.6° | 83.7° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H12 | 120.0° | 120.1° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C15 | C14 | H48 | H49 | 118.2° | 120.0° |
| C | C1 | C2 | H36 | 179.5° | 180.0° |
| C1 | C | C31 | H38 | 178.5° | 179.9° |
| F | C | C1 | H37 | 4.8° | 0.1° |
| F | C | C31 | H38 | 4.8° | 0.2° |
| C14 | C13 | C12 | C16 | 176.7° | 180.0° |
| C14 | C13 | C12 | C11 | 3.5° | 0.0° |
| C14 | C13 | C12 | N2 | 176.5° | 180.0° |
| C14 | C13 | C16 | C17 | 4.0° | 0.0° |
| C14 | C13 | C16 | N1 | 176.6° | 180.0° |
| C13 | C14 | C15 | H10 | 180.0° | 67.7° |
| C13 | C14 | C15 | H11 | 60.0° | 172.3° |
| C13 | C14 | C15 | H12 | 60.0° | 52.4° |
| C13 | C14 | H48 | H49 | 118.2° | 120.0° |
| C9 | C10 | C11 | H8 | 120.2° | 119.9° |
| C9 | C10 | C11 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | C21 | 50.4° | 57.7° |
| C9 | C10 | C11 | C12 | 174.5° | 177.5° |
| C9 | C10 | H8 | H9 | 119.4° | 120.2° |
| C9 | C10 | C11 | H40 | 67.4° | 62.2° |
| C10 | C9 | H41 | H42 | 119.3° | 119.9° |
| C10 | C11 | C21 | C22 | 51.0° | 57.7° |
| C10 | C11 | C12 | C13 | 61.5° | 53.7° |
| C10 | C11 | C21 | C12 | 123.4° | 119.9° |
| C10 | C11 | C21 | H40 | 117.8° | 119.9° |
| C10 | C11 | C12 | H40 | 117.7° | 120.2° |
| C10 | C11 | C12 | N2 | 118.5° | 126.4° |
| C11 | C10 | H8 | H9 | 119.4° | 120.1° |
| C10 | C11 | C21 | H18 | 171.2° | 177.6° |
| C10 | C11 | C21 | H19 | 69.1° | 62.3° |
| C11 | C10 | C9 | H41 | 176.7° | 60.8° |
| C11 | C10 | C9 | H42 | 63.8° | 179.3° |
| C22 | C21 | C11 | H18 | 120.1° | 119.9° |
| C22 | C21 | C11 | H19 | 120.2° | 120.0° |
| C22 | C21 | C11 | C12 | 174.5° | 177.5° |
| C22 | C21 | H18 | H19 | 119.5° | 120.2° |
| C21 | C22 | H20 | H21 | 119.3° | 119.9° |
| C22 | C21 | C11 | H40 | 66.7° | 62.2° |
| C13 | C12 | C11 | C21 | 62.4° | 65.9° |
| C13 | C12 | C11 | N2 | 179.9° | 179.9° |
| C12 | C13 | C16 | C17 | 178.9° | 180.0° |
| C12 | C13 | C16 | N1 | 0.5° | 0.0° |
| C13 | C12 | N2 | N1 | 0.2° | 0.1° |
| C13 | C12 | N2 | C19 | 177.4° | 180.0° |
| C13 | C12 | C11 | H40 | 179.2° | 173.9° |
| C12 | C13 | C14 | H48 | 150.1° | 143.7° |
| C12 | C13 | C14 | H49 | 31.3° | 23.8° |
| C16 | C13 | C12 | C11 | 179.9° | 180.0° |
| C16 | C13 | C12 | N2 | 0.2° | 0.1° |
| C13 | C16 | C17 | N1 | 179.4° | 180.0° |
| C13 | C16 | C17 | C18 | 129.8° | 90.0° |
| C13 | C16 | N1 | N2 | 0.7° | 0.0° |
| C13 | C16 | C17 | H13 | 9.0° | 150.0° |
| C13 | C16 | C17 | H14 | 109.5° | 30.0° |
| C16 | C13 | C14 | H48 | 26.0° | 36.3° |
| C16 | C13 | C14 | H49 | 144.8° | 156.3° |
| C21 | C11 | C12 | H40 | 118.5° | 120.2° |
| C21 | C11 | C12 | N2 | 117.7° | 114.0° |
| C21 | C11 | C10 | H8 | 69.8° | 177.6° |
| C21 | C11 | C10 | H9 | 170.6° | 62.4° |
| C11 | C21 | H18 | H19 | 119.5° | 120.1° |
| C11 | C21 | C22 | H20 | 62.2° | 179.3° |
| C11 | C21 | C22 | H21 | 178.2° | 60.8° |
| C11 | C12 | N2 | N1 | 179.7° | 180.0° |
| C11 | C12 | N2 | C19 | 2.7° | 0.1° |
| C12 | C11 | C10 | H8 | 54.3° | 62.5° |
| C12 | C11 | C10 | H9 | 65.3° | 57.5° |
| C12 | C11 | C21 | H18 | 65.4° | 62.6° |
| C12 | C11 | C21 | H19 | 54.3° | 57.5° |
| C12 | N2 | N1 | C16 | 0.6° | 0.1° |
| C12 | N2 | N1 | C19 | 177.9° | 179.9° |
| C12 | N2 | C19 | C20 | 101.2° | 95.0° |
| N2 | C12 | C11 | H40 | 0.7° | 6.2° |
| C12 | N2 | C19 | H43 | 138.4° | 24.9° |
| C12 | N2 | C19 | H44 | 19.2° | 145.0° |
| C16 | C17 | C18 | H13 | 120.8° | 120.0° |
| C16 | C17 | C18 | H14 | 120.7° | 120.0° |
| C17 | C16 | N1 | N2 | 178.8° | 180.0° |
| C16 | C17 | H13 | H14 | 117.7° | 120.0° |
| C16 | C17 | C18 | H45 | 180.0° | 60.0° |
| C16 | C17 | C18 | H46 | 60.0° | 60.0° |
| C16 | C17 | C18 | H47 | 60.0° | 180.0° |
| C18 | C17 | C16 | N1 | 49.6° | 89.9° |
| C18 | C17 | H13 | H14 | 117.7° | 120.0° |
| C17 | C18 | H45 | H46 | 120.0° | 120.0° |
| C17 | C18 | H45 | H47 | 120.0° | 120.0° |
| C17 | C18 | H46 | H47 | 120.0° | 120.1° |
| C16 | N1 | N2 | C19 | 177.3° | 180.0° |
| N1 | C16 | C17 | H13 | 170.3° | 30.0° |
| N1 | C16 | C17 | H14 | 71.1° | 150.0° |
| N1 | N2 | C19 | C20 | 76.3° | 85.1° |
| N1 | N2 | C19 | H43 | 44.1° | 155.0° |
| N1 | N2 | C19 | H44 | 163.4° | 34.9° |
| N2 | C19 | C20 | H43 | 120.4° | 119.9° |
| N2 | C19 | C20 | H44 | 120.4° | 120.1° |
| N2 | C19 | C20 | H15 | 180.0° | 54.9° |
| N2 | C19 | C20 | H16 | 60.0° | 65.0° |
| N2 | C19 | C20 | H17 | 60.0° | 175.0° |
| N2 | C19 | H43 | H44 | 118.8° | 120.1° |
| C19 | C20 | H15 | H16 | 120.0° | 119.9° |
| C19 | C20 | H15 | H17 | 120.0° | 120.1° |
| C19 | C20 | H16 | H17 | 120.0° | 120.0° |
| C20 | C19 | H43 | H44 | 118.8° | 120.0° |
| H2 | C5 | C6 | H3 | 153.4° | 160.5° |
| H2 | C5 | C6 | H4 | 31.5° | 37.4° |
| H2 | C5 | C7 | H5 | 134.6° | 144.4° |
| H5 | C7 | C8 | H6 | 74.3° | 66.7° |
| H5 | C7 | C8 | H7 | 168.1° | 173.4° |
| H5 | C7 | C23 | H33 | 106.8° | 120.5° |
| H5 | C7 | C23 | H34 | 14.5° | 0.8° |
| H8 | C10 | C11 | H40 | 172.4° | 57.7° |
| H8 | C10 | C9 | H41 | 56.5° | 59.1° |
| H8 | C10 | C9 | H42 | 176.0° | 60.8° |
| H9 | C10 | C11 | H40 | 52.8° | 177.8° |
| H9 | C10 | C9 | H41 | 63.1° | 179.2° |
| H9 | C10 | C9 | H42 | 56.5° | 59.2° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H10 | C15 | C14 | H48 | 59.4° | 52.3° |
| H10 | C15 | C14 | H49 | 59.4° | 172.3° |
| H11 | C15 | C14 | H48 | 60.6° | 67.7° |
| H11 | C15 | C14 | H49 | 179.4° | 52.3° |
| H12 | C15 | C14 | H48 | 179.4° | 172.3° |
| H12 | C15 | C14 | H49 | 60.6° | 67.7° |
| H13 | C17 | C18 | H45 | 59.2° | 180.0° |
| H13 | C17 | C18 | H46 | 179.2° | 60.0° |
| H13 | C17 | C18 | H47 | 60.8° | 60.0° |
| H14 | C17 | C18 | H45 | 59.3° | 60.0° |
| H14 | C17 | C18 | H46 | 60.7° | 180.0° |
| H14 | C17 | C18 | H47 | 179.3° | 60.0° |
| H15 | C20 | H16 | H17 | 120.0° | 120.0° |
| H15 | C20 | C19 | H43 | 59.6° | 65.0° |
| H15 | C20 | C19 | H44 | 59.6° | 175.0° |
| H16 | C20 | C19 | H43 | 179.6° | 175.0° |
| H16 | C20 | C19 | H44 | 60.4° | 55.1° |
| H17 | C20 | C19 | H43 | 60.4° | 55.1° |
| H17 | C20 | C19 | H44 | 179.6° | 64.9° |
| H18 | C21 | C22 | H20 | 57.9° | 60.8° |
| H18 | C21 | C22 | H21 | 61.6° | 59.1° |
| H18 | C21 | C11 | H40 | 53.4° | 57.7° |
| H19 | C21 | C22 | H20 | 177.6° | 59.3° |
| H19 | C21 | C22 | H21 | 58.1° | 179.2° |
| H19 | C21 | C11 | H40 | 173.1° | 177.8° |
| H24 | C28 | C29 | H29 | 41.1° | 85.1° |
| H24 | C28 | C29 | H30 | 81.1° | 38.3° |
| H24 | C28 | C27 | H31 | 97.5° | 23.1° |
| H24 | C28 | C27 | H32 | 23.6° | 98.4° |
| H25 | C28 | C29 | H29 | 162.3° | 37.6° |
| H25 | C28 | C29 | H30 | 40.1° | 160.9° |
| H25 | C28 | C27 | H31 | 23.7° | 145.6° |
| H25 | C28 | C27 | H32 | 144.8° | 24.2° |
| H27 | C30 | C29 | H29 | 42.9° | 85.1° |
| H27 | C30 | C29 | H30 | 79.3° | 38.4° |
| H28 | C30 | C29 | H29 | 164.4° | 37.5° |
| H28 | C30 | C29 | H30 | 42.2° | 160.9° |
| H35 | C3 | C2 | H36 | 0.4° | 0.1° |
| H36 | C2 | C1 | H37 | 0.5° | 0.0° |
| H45 | C18 | H46 | H47 | 120.0° | 120.0° |
