XUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | CL10 | sing | 1.74Å | 1.74Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | CL9 | sing | 1.74Å | 1.74Å | |
| C7 | N8 | sing | 1.46Å | 1.49Å | |
| N8 | C28 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | N21 | sing | 1.40Å | 1.42Å | |
| C13 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | N20 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | N18 | sing | 1.35Å | 1.43Å | |
| C17 | O30 | doub | 1.22Å | 1.25Å | |
| N18 | C19 | sing | 1.36Å | 1.43Å | |
| N18 | C27 | sing | 1.47Å | 1.46Å | |
| C19 | N20 | doub | 1.30Å | 1.30Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| N21 | C26 | sing | 1.47Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N24 | sing | 1.47Å | 1.52Å | |
| N24 | C25 | sing | 1.47Å | 1.48Å | |
| N24 | C31 | sing | 1.35Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.51Å | 1.56Å | |
| C28 | O29 | doub | 1.21Å | 1.26Å | |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C31 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C33 | C37 | sing | 1.54Å | 1.54Å | |
| C34 | C35 | sing | 1.54Å | 1.53Å | |
| C35 | C36 | sing | 1.55Å | 1.50Å | |
| C36 | C37 | sing | 1.55Å | 1.52Å | |
| C11 | H44 | sing | 1.08Å | 1.08Å | |
| C13 | H45 | sing | 1.08Å | 1.08Å | |
| C19 | H47 | sing | 1.08Å | 1.08Å | |
| C22 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H48 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.09Å | 1.10Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H57 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.08Å | 1.08Å | |
| C3 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| C14 | H46 | sing | 1.08Å | 1.08Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.7° | 120.1° |
| C2 | C1 | C7 | 119.5° | 119.9° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C1 | C2 | H38 | 119.8° | 120.0° |
| C6 | C1 | C7 | 118.8° | 120.0° |
| C1 | C6 | C5 | 116.2° | 120.0° |
| C1 | C6 | H40 | 121.9° | 120.0° |
| C1 | C7 | N8 | 115.7° | 109.5° |
| C1 | C7 | H42 | 107.9° | 109.5° |
| C1 | C7 | H41 | 107.9° | 109.5° |
| C2 | C3 | C4 | 116.8° | 120.0° |
| C3 | C2 | H38 | 119.8° | 120.0° |
| C2 | C3 | H39 | 121.6° | 120.0° |
| C3 | C4 | C5 | 123.2° | 120.0° |
| C3 | C4 | CL10 | 118.0° | 120.0° |
| C4 | C3 | H39 | 121.6° | 120.0° |
| C5 | C4 | CL10 | 118.8° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | CL9 | 119.0° | 120.0° |
| C6 | C5 | CL9 | 119.4° | 120.0° |
| C5 | C6 | H40 | 121.9° | 120.0° |
| C7 | N8 | C28 | 117.4° | 120.0° |
| N8 | C7 | H42 | 107.9° | 109.5° |
| N8 | C7 | H41 | 107.9° | 109.5° |
| C7 | N8 | H43 | 121.3° | 120.0° |
| N8 | C28 | C27 | 114.4° | 120.0° |
| N8 | C28 | O29 | 121.2° | 120.0° |
| C28 | N8 | H43 | 121.3° | 120.0° |
| C12 | C11 | C14 | 120.5° | 120.9° |
| C11 | C12 | C13 | 118.7° | 120.4° |
| C11 | C12 | N21 | 118.9° | 119.8° |
| C12 | C11 | H44 | 119.8° | 119.5° |
| C11 | C14 | C15 | 120.4° | 119.9° |
| C14 | C11 | H44 | 119.8° | 119.6° |
| C11 | C14 | H46 | 119.8° | 120.0° |
| C13 | C12 | N21 | 122.3° | 119.9° |
| C12 | C13 | C16 | 120.4° | 119.4° |
| C12 | C13 | H45 | 119.8° | 120.3° |
| C12 | N21 | C22 | 111.6° | 111.0° |
| C12 | N21 | C26 | 115.3° | 111.0° |
| C13 | C16 | C15 | 120.6° | 120.0° |
| C13 | C16 | C17 | 121.9° | 121.9° |
| C16 | C13 | H45 | 119.8° | 120.3° |
| C14 | C15 | C16 | 119.5° | 119.4° |
| C14 | C15 | N20 | 117.6° | 121.6° |
| C15 | C14 | H46 | 119.8° | 120.0° |
| C16 | C15 | N20 | 122.9° | 118.9° |
| C15 | C16 | C17 | 117.6° | 118.1° |
| C15 | N20 | C19 | 121.9° | 121.7° |
| C16 | C17 | N18 | 116.6° | 117.4° |
| C16 | C17 | O30 | 124.9° | 121.3° |
| N18 | C17 | O30 | 118.5° | 121.3° |
| C17 | N18 | C19 | 120.8° | 120.6° |
| C17 | N18 | C27 | 121.4° | 119.7° |
| C19 | N18 | C27 | 117.8° | 119.7° |
| N18 | C19 | N20 | 120.2° | 123.4° |
| N18 | C19 | H47 | 119.9° | 118.3° |
| N18 | C27 | C28 | 109.2° | 109.4° |
| N18 | C27 | H57 | 109.5° | 109.4° |
| N18 | C27 | H56 | 109.5° | 109.5° |
| N20 | C19 | H47 | 119.9° | 118.4° |
| C22 | N21 | C26 | 114.2° | 111.3° |
| N21 | C22 | C23 | 107.2° | 109.3° |
| N21 | C22 | H49 | 110.0° | 109.5° |
| N21 | C22 | H48 | 110.0° | 109.5° |
| N21 | C26 | C25 | 107.0° | 109.3° |
| N21 | C26 | H54 | 110.1° | 109.5° |
| N21 | C26 | H55 | 110.1° | 109.5° |
| C22 | C23 | N24 | 107.4° | 108.5° |
| C23 | C22 | H49 | 110.0° | 109.5° |
| C23 | C22 | H48 | 110.1° | 109.5° |
| C22 | C23 | H51 | 110.0° | 109.7° |
| C22 | C23 | H50 | 110.0° | 109.6° |
| C23 | N24 | C25 | 113.4° | 118.3° |
| C23 | N24 | C31 | 119.6° | 120.8° |
| N24 | C23 | H51 | 110.0° | 109.7° |
| N24 | C23 | H50 | 110.0° | 109.6° |
| C25 | N24 | C31 | 126.6° | 120.9° |
| N24 | C25 | C26 | 108.5° | 108.5° |
| N24 | C25 | H53 | 109.7° | 109.6° |
| N24 | C25 | H52 | 109.7° | 109.8° |
| N24 | C31 | O32 | 118.5° | 120.0° |
| N24 | C31 | C33 | 119.1° | 120.0° |
| C26 | C25 | H53 | 109.7° | 109.6° |
| C26 | C25 | H52 | 109.7° | 109.6° |
| C25 | C26 | H54 | 110.1° | 109.5° |
| C25 | C26 | H55 | 110.1° | 109.5° |
| C27 | C28 | O29 | 124.4° | 120.0° |
| C28 | C27 | H57 | 109.5° | 109.5° |
| C28 | C27 | H56 | 109.5° | 109.5° |
| O32 | C31 | C33 | 122.4° | 120.0° |
| C31 | C33 | C34 | 111.7° | 110.1° |
| C31 | C33 | C37 | 108.9° | 110.0° |
| C31 | C33 | H58 | 109.8° | 110.1° |
| C34 | C33 | C37 | 107.3° | 106.6° |
| C33 | C34 | C35 | 105.0° | 106.6° |
| C34 | C33 | H58 | 109.6° | 110.0° |
| C33 | C34 | H60 | 110.6° | 110.0° |
| C33 | C34 | H59 | 110.6° | 110.0° |
| C33 | C37 | C36 | 107.7° | 104.2° |
| C37 | C33 | H58 | 109.6° | 110.1° |
| C33 | C37 | H65 | 109.9° | 110.5° |
| C33 | C37 | H66 | 109.9° | 110.5° |
| C34 | C35 | C36 | 108.6° | 104.2° |
| C35 | C34 | H60 | 110.6° | 110.0° |
| C35 | C34 | H59 | 110.6° | 110.0° |
| C34 | C35 | H62 | 109.7° | 110.4° |
| C34 | C35 | H61 | 109.7° | 110.5° |
| C35 | C36 | C37 | 106.2° | 102.8° |
| C36 | C35 | H62 | 109.7° | 110.5° |
| C36 | C35 | H61 | 109.7° | 110.5° |
| C35 | C36 | H63 | 110.3° | 110.8° |
| C35 | C36 | H64 | 110.3° | 110.8° |
| C37 | C36 | H63 | 110.3° | 110.7° |
| C37 | C36 | H64 | 110.3° | 110.7° |
| C36 | C37 | H65 | 109.9° | 110.5° |
| C36 | C37 | H66 | 109.9° | 110.5° |
| H49 | C22 | H48 | 109.5° | 109.5° |
| H51 | C23 | H50 | 109.5° | 109.8° |
| H53 | C25 | H52 | 109.4° | 109.7° |
| H54 | C26 | H55 | 109.4° | 109.5° |
| H57 | C27 | H56 | 109.4° | 109.5° |
| H42 | C7 | H41 | 109.5° | 109.4° |
| H60 | C34 | H59 | 109.5° | 110.1° |
| H62 | C35 | H61 | 109.5° | 110.6° |
| H63 | C36 | H64 | 109.5° | 110.8° |
| H65 | C37 | H66 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 178.7° | 179.8° |
| C1 | C2 | C3 | H38 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 1.7° | 0.0° |
| C2 | C1 | C7 | N8 | 137.2° | 90.0° |
| C1 | C2 | C3 | H39 | 179.8° | 180.0° |
| C2 | C1 | C6 | H40 | 178.3° | 179.9° |
| C2 | C1 | C7 | H42 | 16.3° | 150.0° |
| C2 | C1 | C7 | H41 | 101.9° | 30.1° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.0° |
| C1 | C6 | C5 | H40 | 180.0° | 179.9° |
| C1 | C6 | C5 | CL9 | 177.9° | 180.0° |
| C6 | C1 | C7 | N8 | 44.1° | 90.2° |
| C6 | C1 | C2 | H38 | 178.8° | 179.9° |
| C6 | C1 | C7 | H42 | 165.0° | 29.8° |
| C6 | C1 | C7 | H41 | 76.8° | 149.7° |
| C7 | C1 | C2 | C3 | 177.5° | 179.8° |
| C7 | C1 | C6 | C5 | 177.0° | 179.7° |
| C1 | C7 | N8 | H42 | 120.9° | 120.0° |
| C1 | C7 | N8 | H41 | 120.9° | 120.0° |
| C1 | C7 | N8 | C28 | 79.0° | 180.0° |
| C7 | C1 | C2 | H38 | 2.5° | 0.3° |
| C7 | C1 | C6 | H40 | 3.0° | 0.2° |
| C1 | C7 | H42 | H41 | 117.2° | 120.0° |
| C1 | C7 | N8 | H43 | 101.0° | 0.0° |
| C2 | C3 | C4 | H39 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | CL10 | 179.4° | 180.0° |
| C3 | C4 | C5 | CL10 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | CL9 | 178.9° | 180.0° |
| C4 | C3 | C2 | H38 | 179.8° | 180.0° |
| C4 | C5 | C6 | CL9 | 179.1° | 180.0° |
| C5 | C4 | C3 | H39 | 179.7° | 180.0° |
| C4 | C5 | C6 | H40 | 178.7° | 179.9° |
| CL10 | C4 | C5 | C6 | 178.9° | 180.0° |
| CL10 | C4 | C5 | CL9 | 2.0° | 0.0° |
| CL10 | C4 | C3 | H39 | 0.6° | 0.0° |
| CL9 | C5 | C6 | H40 | 2.1° | 0.1° |
| C7 | N8 | C28 | H43 | 180.0° | 180.0° |
| C7 | N8 | C28 | C27 | 177.5° | 180.0° |
| C7 | N8 | C28 | O29 | 5.1° | 0.0° |
| N8 | C7 | H42 | H41 | 117.2° | 120.0° |
| N8 | C28 | C27 | N18 | 149.4° | 180.0° |
| N8 | C28 | C27 | O29 | 177.3° | 180.0° |
| N8 | C28 | C27 | H57 | 29.5° | 60.0° |
| N8 | C28 | C27 | H56 | 90.6° | 60.0° |
| C28 | N8 | C7 | H42 | 41.9° | 60.0° |
| C28 | N8 | C7 | H41 | 160.1° | 60.0° |
| C12 | C11 | C14 | H44 | 180.0° | 179.7° |
| C11 | C12 | C13 | N21 | 175.7° | 180.0° |
| C11 | C12 | C13 | C16 | 0.6° | 0.0° |
| C12 | C11 | C14 | C15 | 0.2° | 0.0° |
| C11 | C12 | N21 | C22 | 53.6° | 0.0° |
| C11 | C12 | N21 | C26 | 174.0° | 124.3° |
| C11 | C12 | C13 | H45 | 179.4° | 180.0° |
| C12 | C11 | C14 | H46 | 179.7° | 180.0° |
| C14 | C11 | C12 | C13 | 1.4° | 0.0° |
| C14 | C11 | C12 | N21 | 174.4° | 180.0° |
| C11 | C14 | C15 | H46 | 180.0° | 179.9° |
| C11 | C14 | C15 | C16 | 1.6° | 0.0° |
| C11 | C14 | C15 | N20 | 177.7° | 180.0° |
| C12 | C13 | C16 | H45 | 180.0° | 180.0° |
| C12 | C13 | C16 | C15 | 1.2° | 0.0° |
| C12 | C13 | C16 | C17 | 179.2° | 180.0° |
| C13 | C12 | N21 | C22 | 122.1° | 180.0° |
| C13 | C12 | N21 | C26 | 10.3° | 55.7° |
| C13 | C12 | C11 | H44 | 178.7° | 179.7° |
| N21 | C12 | C13 | C16 | 175.0° | 180.0° |
| C12 | N21 | C22 | C26 | 133.0° | 124.2° |
| C12 | N21 | C22 | C23 | 165.4° | 172.8° |
| C12 | N21 | C26 | C25 | 169.6° | 172.7° |
| N21 | C12 | C11 | H44 | 5.5° | 0.3° |
| N21 | C12 | C13 | H45 | 4.9° | 0.0° |
| C12 | N21 | C22 | H49 | 75.0° | 52.8° |
| C12 | N21 | C22 | H48 | 45.7° | 67.3° |
| C12 | N21 | C26 | H54 | 50.0° | 67.3° |
| C12 | N21 | C26 | H55 | 70.8° | 52.8° |
| C13 | C16 | C15 | C14 | 2.4° | 0.0° |
| C13 | C16 | C15 | C17 | 179.6° | 180.0° |
| C13 | C16 | C15 | N20 | 177.0° | 180.0° |
| C13 | C16 | C17 | N18 | 177.6° | 180.0° |
| C13 | C16 | C17 | O30 | 4.1° | 0.1° |
| C14 | C15 | C16 | N20 | 179.3° | 180.0° |
| C14 | C15 | C16 | C17 | 178.0° | 180.0° |
| C14 | C15 | N20 | C19 | 178.3° | 179.9° |
| C15 | C14 | C11 | H44 | 179.8° | 179.7° |
| C15 | C16 | C17 | N18 | 2.0° | 0.0° |
| C15 | C16 | C17 | O30 | 176.3° | 179.9° |
| C16 | C15 | N20 | C19 | 2.3° | 0.1° |
| C15 | C16 | C13 | H45 | 178.8° | 180.0° |
| C16 | C15 | C14 | H46 | 178.4° | 179.9° |
| N20 | C15 | C16 | C17 | 2.7° | 0.0° |
| C15 | N20 | C19 | N18 | 1.3° | 0.2° |
| C15 | N20 | C19 | H47 | 178.7° | 180.0° |
| N20 | C15 | C14 | H46 | 2.2° | 0.1° |
| C16 | C17 | N18 | O30 | 178.4° | 179.9° |
| C16 | C17 | N18 | C19 | 1.1° | 0.0° |
| C16 | C17 | N18 | C27 | 177.3° | 179.9° |
| C17 | C16 | C13 | H45 | 0.9° | 0.0° |
| C17 | N18 | C19 | C27 | 178.5° | 179.9° |
| C17 | N18 | C19 | N20 | 0.7° | 0.1° |
| C17 | N18 | C27 | C28 | 68.5° | 90.0° |
| C17 | N18 | C19 | H47 | 179.2° | 180.0° |
| C17 | N18 | C27 | H57 | 51.5° | 30.0° |
| C17 | N18 | C27 | H56 | 171.5° | 150.0° |
| O30 | C17 | N18 | C19 | 177.3° | 179.9° |
| O30 | C17 | N18 | C27 | 4.3° | 0.0° |
| N18 | C19 | N20 | H47 | 180.0° | 179.9° |
| C19 | N18 | C27 | C28 | 109.9° | 90.1° |
| C19 | N18 | C27 | H57 | 130.1° | 149.9° |
| C19 | N18 | C27 | H56 | 10.1° | 29.9° |
| C27 | N18 | C19 | N20 | 177.7° | 180.0° |
| N18 | C27 | C28 | H57 | 120.0° | 119.9° |
| N18 | C27 | C28 | H56 | 120.0° | 120.0° |
| N18 | C27 | C28 | O29 | 27.9° | 0.0° |
| C27 | N18 | C19 | H47 | 2.3° | 0.1° |
| N18 | C27 | H57 | H56 | 120.1° | 120.0° |
| N21 | C22 | C23 | H49 | 119.6° | 119.9° |
| N21 | C22 | C23 | H48 | 119.7° | 120.0° |
| N21 | C22 | C23 | N24 | 59.3° | 53.8° |
| C22 | N21 | C26 | C25 | 59.2° | 63.1° |
| N21 | C22 | H49 | H48 | 121.0° | 120.1° |
| N21 | C22 | C23 | H51 | 179.0° | 173.6° |
| N21 | C22 | C23 | H50 | 60.4° | 65.9° |
| C22 | N21 | C26 | H54 | 178.8° | 56.9° |
| C22 | N21 | C26 | H55 | 60.4° | 176.9° |
| C26 | N21 | C22 | C23 | 61.7° | 63.1° |
| N21 | C26 | C25 | N24 | 54.8° | 53.8° |
| N21 | C26 | C25 | H54 | 119.6° | 120.0° |
| N21 | C26 | C25 | H55 | 119.6° | 120.0° |
| C26 | N21 | C22 | H49 | 58.0° | 176.9° |
| C26 | N21 | C22 | H48 | 178.7° | 56.9° |
| N21 | C26 | C25 | H53 | 174.6° | 65.9° |
| N21 | C26 | C25 | H52 | 65.1° | 173.7° |
| N21 | C26 | H54 | H55 | 121.1° | 120.1° |
| C22 | C23 | N24 | H51 | 119.7° | 119.7° |
| C22 | C23 | N24 | H50 | 119.7° | 119.7° |
| C22 | C23 | N24 | C25 | 62.4° | 51.2° |
| C22 | C23 | N24 | C31 | 124.2° | 128.8° |
| C23 | C22 | H49 | H48 | 121.0° | 120.1° |
| C22 | C23 | H51 | H50 | 121.0° | 120.5° |
| C23 | N24 | C25 | C31 | 172.8° | 180.0° |
| C23 | N24 | C25 | C26 | 60.7° | 51.2° |
| C23 | N24 | C31 | O32 | 6.0° | 0.0° |
| C23 | N24 | C31 | C33 | 174.5° | 180.0° |
| N24 | C23 | C22 | H49 | 60.3° | 173.8° |
| N24 | C23 | C22 | H48 | 179.0° | 66.2° |
| N24 | C23 | H51 | H50 | 121.0° | 120.5° |
| C23 | N24 | C25 | H53 | 179.5° | 68.5° |
| C23 | N24 | C25 | H52 | 59.2° | 171.0° |
| N24 | C25 | C26 | H53 | 119.9° | 119.7° |
| N24 | C25 | C26 | H52 | 119.9° | 119.9° |
| C25 | N24 | C31 | O32 | 178.4° | 180.0° |
| C25 | N24 | C31 | C33 | 2.0° | 0.0° |
| C25 | N24 | C23 | H51 | 177.9° | 170.9° |
| C25 | N24 | C23 | H50 | 57.2° | 68.5° |
| N24 | C25 | H53 | H52 | 120.5° | 120.6° |
| N24 | C25 | C26 | H54 | 174.4° | 66.1° |
| N24 | C25 | C26 | H55 | 64.9° | 173.8° |
| C31 | N24 | C25 | C26 | 126.5° | 128.8° |
| N24 | C31 | O32 | C33 | 179.5° | 180.0° |
| N24 | C31 | C33 | C34 | 88.9° | 180.0° |
| N24 | C31 | C33 | C37 | 152.8° | 62.9° |
| C31 | N24 | C23 | H51 | 4.5° | 9.1° |
| C31 | N24 | C23 | H50 | 116.1° | 111.5° |
| C31 | N24 | C25 | H53 | 6.7° | 111.5° |
| C31 | N24 | C25 | H52 | 113.6° | 9.1° |
| N24 | C31 | C33 | H58 | 32.9° | 58.6° |
| C26 | C25 | H53 | H52 | 120.4° | 120.4° |
| C25 | C26 | H54 | H55 | 121.1° | 120.1° |
| C28 | C27 | H57 | H56 | 120.1° | 120.1° |
| C27 | C28 | N8 | H43 | 2.5° | 0.0° |
| O29 | C28 | C27 | H57 | 147.8° | 120.0° |
| O29 | C28 | C27 | H56 | 92.1° | 120.0° |
| O29 | C28 | N8 | H43 | 174.9° | 180.0° |
| O32 | C31 | C33 | C34 | 90.6° | 0.0° |
| O32 | C31 | C33 | C37 | 27.7° | 117.1° |
| O32 | C31 | C33 | H58 | 147.6° | 121.4° |
| C31 | C33 | C34 | C37 | 119.2° | 119.3° |
| C31 | C33 | C34 | H58 | 121.9° | 121.4° |
| C31 | C33 | C37 | H58 | 120.0° | 121.5° |
| C31 | C33 | C34 | C35 | 108.8° | 119.3° |
| C31 | C33 | C37 | C36 | 124.6° | 142.9° |
| C31 | C33 | C34 | H60 | 131.9° | 121.4° |
| C31 | C33 | C34 | H59 | 10.5° | 0.0° |
| C31 | C33 | C37 | H65 | 4.9° | 24.2° |
| C31 | C33 | C37 | H66 | 115.7° | 98.4° |
| C34 | C33 | C37 | H58 | 118.9° | 119.2° |
| C33 | C34 | C35 | H60 | 119.3° | 119.3° |
| C33 | C34 | C35 | H59 | 119.3° | 119.2° |
| C33 | C34 | C35 | C36 | 21.1° | 23.6° |
| C34 | C33 | C37 | C36 | 3.6° | 23.6° |
| C33 | C34 | H60 | H59 | 122.1° | 121.4° |
| C33 | C34 | C35 | H62 | 141.0° | 142.3° |
| C33 | C34 | C35 | H61 | 98.7° | 95.1° |
| C34 | C33 | C37 | H65 | 116.2° | 95.1° |
| C34 | C33 | C37 | H66 | 123.3° | 142.2° |
| C37 | C33 | C34 | C35 | 10.4° | 0.0° |
| C33 | C37 | C36 | C35 | 16.6° | 37.9° |
| C33 | C37 | C36 | H65 | 119.7° | 118.6° |
| C33 | C37 | C36 | H66 | 119.7° | 118.7° |
| C37 | C33 | C34 | H60 | 108.8° | 119.3° |
| C37 | C33 | C34 | H59 | 129.7° | 119.3° |
| C33 | C37 | C36 | H63 | 102.9° | 80.4° |
| C33 | C37 | C36 | H64 | 136.0° | 156.3° |
| C33 | C37 | H65 | H66 | 120.8° | 122.6° |
| C34 | C35 | C36 | H62 | 119.8° | 118.6° |
| C34 | C35 | C36 | H61 | 119.9° | 118.7° |
| C34 | C35 | C36 | C37 | 23.6° | 38.0° |
| C35 | C34 | C33 | H58 | 129.3° | 119.3° |
| C35 | C34 | H60 | H59 | 122.1° | 121.4° |
| C34 | C35 | H62 | H61 | 120.4° | 122.6° |
| C34 | C35 | C36 | H63 | 95.8° | 80.4° |
| C34 | C35 | C36 | H64 | 143.1° | 156.3° |
| C35 | C36 | C37 | H63 | 119.5° | 118.4° |
| C35 | C36 | C37 | H64 | 119.5° | 118.3° |
| C36 | C35 | C34 | H60 | 98.2° | 95.7° |
| C36 | C35 | C34 | H59 | 140.4° | 142.8° |
| C36 | C35 | H62 | H61 | 120.4° | 122.7° |
| C35 | C36 | H63 | H64 | 121.5° | 123.3° |
| C35 | C36 | C37 | H65 | 103.2° | 80.7° |
| C35 | C36 | C37 | H66 | 136.3° | 156.6° |
| C36 | C37 | C33 | H58 | 115.4° | 95.6° |
| C37 | C36 | C35 | H62 | 143.5° | 156.6° |
| C37 | C36 | C35 | H61 | 96.2° | 80.7° |
| C37 | C36 | H63 | H64 | 121.5° | 123.3° |
| C36 | C37 | H65 | H66 | 120.9° | 122.7° |
| H44 | C11 | C14 | H46 | 0.2° | 0.3° |
| H49 | C22 | C23 | H51 | 59.3° | 66.5° |
| H49 | C22 | C23 | H50 | 180.0° | 54.1° |
| H48 | C22 | C23 | H51 | 61.3° | 53.6° |
| H48 | C22 | C23 | H50 | 59.3° | 174.2° |
| H53 | C25 | C26 | H54 | 65.7° | 174.2° |
| H53 | C25 | C26 | H55 | 55.0° | 54.1° |
| H52 | C25 | C26 | H54 | 54.6° | 53.7° |
| H52 | C25 | C26 | H55 | 175.3° | 66.3° |
| H38 | C2 | C3 | H39 | 0.2° | 0.0° |
| H42 | C7 | N8 | H43 | 138.1° | 120.0° |
| H41 | C7 | N8 | H43 | 19.9° | 120.0° |
| H58 | C33 | C34 | H60 | 10.1° | 0.0° |
| H58 | C33 | C34 | H59 | 111.4° | 121.5° |
| H58 | C33 | C37 | H65 | 124.9° | 145.7° |
| H58 | C33 | C37 | H66 | 4.4° | 23.0° |
| H60 | C34 | C35 | H62 | 21.7° | 23.0° |
| H60 | C34 | C35 | H61 | 142.0° | 145.6° |
| H59 | C34 | C35 | H62 | 99.7° | 98.5° |
| H59 | C34 | C35 | H61 | 20.5° | 24.2° |
| H62 | C35 | C36 | H63 | 24.0° | 38.3° |
| H62 | C35 | C36 | H64 | 97.0° | 85.1° |
| H61 | C35 | C36 | H63 | 144.3° | 161.0° |
| H61 | C35 | C36 | H64 | 23.2° | 37.6° |
| H63 | C36 | C37 | H65 | 137.4° | 161.0° |
| H63 | C36 | C37 | H66 | 16.8° | 38.3° |
| H64 | C36 | C37 | H65 | 16.3° | 37.7° |
| H64 | C36 | C37 | H66 | 104.3° | 85.0° |
