A1ILX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | CL9 | sing | 1.74Å | 1.74Å | |
| C2 | N10 | sing | 1.47Å | 1.51Å | |
| N10 | C11 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | CL17 | sing | 1.74Å | 1.75Å | |
| C14 | O18 | sing | 1.36Å | 1.37Å | |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | N24 | sing | 1.46Å | 1.46Å | |
| N24 | C25 | sing | 1.35Å | 1.35Å | |
| C25 | O26 | doub | 1.22Å | 1.23Å | |
| C25 | N27 | sing | 1.35Å | 1.35Å | |
| N27 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C29 | C30 | sing | 1.55Å | 1.52Å | |
| C30 | S31 | sing | 1.83Å | 1.78Å | |
| S31 | O32 | doub | 1.42Å | 1.43Å | |
| S31 | O33 | doub | 1.42Å | 1.44Å | |
| S31 | C34 | sing | 1.83Å | 1.77Å | |
| N10 | C35 | sing | 1.35Å | 1.37Å | |
| C35 | O36 | doub | 1.21Å | 1.22Å | |
| C35 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C19 | sing | 1.54Å | 1.53Å | |
| C34 | C28 | sing | 1.54Å | 1.53Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38C | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.0° | 109.5° |
| C1 | C2 | N10 | 110.9° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | H2 | 108.0° | 109.5° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C3 | C2 | N10 | 109.5° | 109.5° |
| C2 | C3 | C8 | 121.1° | 120.0° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C3 | C4 | C5 | 121.4° | 120.0° |
| C4 | C3 | C8 | 118.1° | 120.0° |
| C3 | C4 | H4 | 119.3° | 119.9° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C5 | C4 | H4 | 119.3° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C5 | C6 | C7 | 121.4° | 120.0° |
| C5 | C6 | CL9 | 118.9° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C6 | C7 | C8 | 119.2° | 120.0° |
| C7 | C6 | CL9 | 119.7° | 120.0° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| C7 | C8 | C3 | 120.9° | 120.0° |
| C8 | C7 | H7 | 120.4° | 120.0° |
| C7 | C8 | H8 | 119.5° | 120.1° |
| C2 | N10 | C11 | 119.0° | 120.0° |
| C2 | N10 | C35 | 119.2° | 120.0° |
| N10 | C2 | H2 | 108.2° | 109.4° |
| N10 | C11 | C12 | 119.8° | 120.0° |
| C11 | N10 | C35 | 121.7° | 120.0° |
| N10 | C11 | C16 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | C16 | 120.4° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | O18 | 124.6° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | CL17 | 119.6° | 120.0° |
| C15 | C14 | O18 | 115.8° | 120.0° |
| C16 | C15 | CL17 | 119.5° | 120.0° |
| C15 | C16 | C11 | 118.9° | 120.0° |
| C15 | C16 | H16 | 120.6° | 120.0° |
| C14 | O18 | C19 | 119.3° | 117.0° |
| O18 | C19 | C20 | 102.2° | 110.5° |
| O18 | C19 | C23 | 111.1° | 110.5° |
| O18 | C19 | H19 | 113.2° | 110.4° |
| C19 | C20 | C21 | 102.2° | 102.7° |
| C20 | C19 | C23 | 106.2° | 104.2° |
| C20 | C19 | H19 | 111.9° | 110.5° |
| C19 | C20 | H20B | 111.3° | 110.8° |
| C19 | C20 | H20A | 111.3° | 110.7° |
| C20 | C21 | C22 | 102.3° | 104.2° |
| C21 | C20 | H20B | 111.3° | 110.8° |
| C21 | C20 | H20A | 111.3° | 110.7° |
| C20 | C21 | H21B | 111.2° | 110.5° |
| C20 | C21 | H21A | 111.3° | 110.4° |
| C21 | C22 | C23 | 104.8° | 106.6° |
| C21 | C22 | N24 | 111.4° | 110.0° |
| C22 | C21 | H21B | 111.2° | 110.5° |
| C22 | C21 | H21A | 111.3° | 110.5° |
| C21 | C22 | H22 | 109.8° | 110.0° |
| C23 | C22 | N24 | 110.3° | 110.0° |
| C22 | C23 | C19 | 105.7° | 106.6° |
| C23 | C22 | H22 | 109.7° | 110.0° |
| C22 | C23 | H23B | 110.4° | 110.0° |
| C22 | C23 | H23A | 110.4° | 110.1° |
| C22 | N24 | C25 | 122.6° | 120.0° |
| N24 | C22 | H22 | 110.7° | 110.1° |
| C22 | N24 | H24 | 118.7° | 120.0° |
| N24 | C25 | O26 | 121.8° | 120.0° |
| N24 | C25 | N27 | 116.1° | 120.0° |
| C25 | N24 | H24 | 118.7° | 120.0° |
| O26 | C25 | N27 | 122.1° | 120.0° |
| C25 | N27 | C28 | 120.3° | 120.0° |
| C25 | N27 | H27 | 119.8° | 120.0° |
| N27 | C28 | C29 | 111.3° | 109.6° |
| N27 | C28 | C34 | 111.4° | 109.6° |
| C28 | N27 | H27 | 119.8° | 120.0° |
| N27 | C28 | H28 | 109.7° | 109.6° |
| C28 | C29 | C30 | 108.1° | 106.6° |
| C29 | C28 | C34 | 106.7° | 108.7° |
| C29 | C28 | H28 | 108.7° | 109.6° |
| C28 | C29 | H29B | 109.8° | 110.1° |
| C28 | C29 | H29A | 109.8° | 110.1° |
| C29 | C30 | S31 | 102.6° | 102.6° |
| C29 | C30 | H30B | 111.2° | 110.8° |
| C29 | C30 | H30A | 111.1° | 110.9° |
| C30 | C29 | H29B | 109.8° | 110.0° |
| C30 | C29 | H29A | 109.8° | 110.0° |
| C30 | S31 | O32 | 111.1° | 109.3° |
| C30 | S31 | O33 | 108.1° | 109.4° |
| C30 | S31 | C34 | 97.1° | 97.0° |
| S31 | C30 | H30B | 111.2° | 110.8° |
| S31 | C30 | H30A | 111.2° | 110.8° |
| O32 | S31 | O33 | 117.5° | 119.9° |
| O32 | S31 | C34 | 111.5° | 109.4° |
| O33 | S31 | C34 | 109.6° | 109.5° |
| S31 | C34 | C28 | 107.7° | 105.1° |
| S31 | C34 | H34B | 109.9° | 110.3° |
| S31 | C34 | H34A | 109.9° | 110.4° |
| N10 | C35 | O36 | 121.5° | 120.0° |
| N10 | C35 | C37 | 118.3° | 120.0° |
| O36 | C35 | C37 | 120.2° | 120.0° |
| C35 | C37 | C38 | 115.0° | 109.5° |
| C35 | C37 | H37B | 108.1° | 109.4° |
| C35 | C37 | H37A | 108.1° | 109.5° |
| C38 | C37 | H37B | 108.1° | 109.5° |
| C38 | C37 | H37A | 108.1° | 109.5° |
| C37 | C38 | H38C | 109.5° | 109.4° |
| C37 | C38 | H38B | 109.5° | 109.5° |
| C37 | C38 | H38A | 109.5° | 109.5° |
| C3 | C8 | H8 | 119.6° | 120.0° |
| C11 | C16 | H16 | 120.6° | 120.0° |
| C23 | C19 | H19 | 111.7° | 110.5° |
| C19 | C23 | H23B | 110.4° | 110.0° |
| C19 | C23 | H23A | 110.4° | 110.1° |
| C28 | C34 | H34B | 109.9° | 110.3° |
| C28 | C34 | H34A | 109.9° | 110.4° |
| C34 | C28 | H28 | 108.9° | 109.7° |
| H1C | C1 | H1A | 109.4° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H20B | C20 | H20A | 109.4° | 110.8° |
| H21B | C21 | H21A | 109.4° | 110.5° |
| H30B | C30 | H30A | 109.5° | 110.7° |
| H34B | C34 | H34A | 109.5° | 110.2° |
| H23B | C23 | H23A | 109.4° | 110.1° |
| H29B | C29 | H29A | 109.4° | 110.1° |
| H37B | C37 | H37A | 109.5° | 109.5° |
| H38C | C38 | H38B | 109.5° | 109.5° |
| H38C | C38 | H38A | 109.5° | 109.5° |
| H38B | C38 | H38A | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N10 | 123.4° | 120.0° |
| C1 | C2 | C3 | H2 | 118.9° | 120.1° |
| C1 | C2 | C3 | C4 | 23.6° | 97.3° |
| C1 | C2 | N10 | H2 | 118.3° | 120.0° |
| C1 | C2 | N10 | C11 | 68.5° | 176.7° |
| C1 | C2 | N10 | C35 | 114.0° | 3.4° |
| C1 | C2 | C3 | C8 | 157.8° | 82.9° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C3 | C4 | C8 | 178.7° | 179.7° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C8 | C7 | 178.8° | 180.0° |
| C3 | C2 | N10 | H2 | 117.6° | 120.0° |
| C3 | C2 | N10 | C11 | 55.6° | 63.3° |
| C3 | C2 | N10 | C35 | 121.9° | 116.6° |
| C3 | C2 | C1 | H1C | 180.0° | 179.7° |
| C3 | C2 | C1 | H1A | 60.0° | 60.2° |
| C3 | C2 | C1 | H1B | 60.0° | 59.7° |
| C2 | C3 | C8 | H8 | 1.2° | 0.0° |
| C2 | C3 | C4 | H4 | 1.2° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C8 | C7 | 0.2° | 0.3° |
| C4 | C3 | C2 | N10 | 99.8° | 142.6° |
| C4 | C3 | C2 | H2 | 142.5° | 22.7° |
| C4 | C3 | C8 | H8 | 179.8° | 179.8° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C4 | C5 | C6 | CL9 | 179.7° | 180.0° |
| C5 | C4 | C3 | C8 | 0.1° | 0.2° |
| C5 | C6 | C7 | CL9 | 179.4° | 179.7° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C5 | C6 | C7 | H7 | 179.6° | 179.8° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.3° | 0.1° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C5 | H5 | 179.7° | 179.7° |
| C8 | C7 | C6 | CL9 | 179.8° | 180.0° |
| C7 | C8 | C3 | H8 | 180.0° | 180.0° |
| CL9 | C6 | C7 | H7 | 0.2° | 0.0° |
| CL9 | C6 | C5 | H5 | 0.3° | 0.0° |
| C2 | N10 | C11 | C35 | 177.4° | 179.9° |
| C2 | N10 | C11 | C12 | 100.0° | 139.3° |
| C2 | N10 | C35 | O36 | 2.2° | 4.9° |
| C2 | N10 | C35 | C37 | 179.2° | 175.2° |
| N10 | C2 | C3 | C8 | 78.8° | 37.1° |
| C2 | N10 | C11 | C16 | 79.6° | 41.0° |
| N10 | C2 | C1 | H1C | 57.3° | 60.2° |
| N10 | C2 | C1 | H1A | 62.6° | 59.8° |
| N10 | C2 | C1 | H1B | 177.4° | 179.8° |
| N10 | C11 | C12 | C16 | 179.6° | 179.7° |
| N10 | C11 | C12 | C13 | 179.4° | 179.7° |
| N10 | C11 | C16 | C15 | 179.3° | 179.8° |
| C11 | N10 | C35 | O36 | 175.2° | 175.2° |
| C11 | N10 | C35 | C37 | 1.7° | 4.7° |
| C11 | N10 | C2 | H2 | 173.2° | 56.7° |
| N10 | C11 | C12 | H12 | 0.5° | 0.3° |
| N10 | C11 | C16 | H16 | 0.7° | 0.4° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C16 | C15 | 0.3° | 0.1° |
| C12 | C11 | N10 | C35 | 82.5° | 40.7° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | H16 | 179.7° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C12 | C13 | C14 | O18 | 179.6° | 180.0° |
| C13 | C12 | C11 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | O18 | 179.3° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | CL17 | 179.8° | 180.0° |
| C13 | C14 | O18 | C19 | 5.5° | 5.2° |
| C14 | C13 | C12 | H12 | 179.8° | 179.9° |
| C14 | C15 | C16 | CL17 | 179.7° | 180.0° |
| C15 | C14 | O18 | C19 | 175.2° | 174.8° |
| C14 | C15 | C16 | C11 | 0.5° | 0.1° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| C14 | C15 | C16 | H16 | 179.5° | 179.9° |
| C16 | C15 | C14 | O18 | 179.8° | 179.9° |
| C15 | C16 | C11 | H16 | 180.0° | 179.9° |
| CL17 | C15 | C14 | O18 | 0.5° | 0.1° |
| CL17 | C15 | C16 | C11 | 179.8° | 179.9° |
| CL17 | C15 | C16 | H16 | 0.2° | 0.1° |
| C14 | O18 | C19 | C20 | 169.9° | 86.0° |
| C14 | O18 | C19 | C23 | 77.2° | 159.2° |
| O18 | C14 | C13 | H13 | 0.3° | 0.1° |
| C14 | O18 | C19 | H19 | 49.4° | 36.6° |
| O18 | C19 | C20 | C23 | 116.5° | 118.7° |
| O18 | C19 | C20 | H19 | 121.4° | 122.5° |
| O18 | C19 | C20 | C21 | 83.6° | 156.7° |
| O18 | C19 | C23 | C22 | 100.4° | 142.4° |
| O18 | C19 | C23 | H19 | 127.4° | 122.6° |
| O18 | C19 | C20 | H20B | 35.3° | 38.4° |
| O18 | C19 | C20 | H20A | 157.6° | 85.0° |
| O18 | C19 | C23 | H23B | 19.0° | 98.4° |
| O18 | C19 | C23 | H23A | 140.1° | 23.1° |
| C19 | C20 | C21 | H20B | 118.8° | 118.4° |
| C19 | C20 | C21 | H20A | 118.9° | 118.3° |
| C19 | C20 | C21 | C22 | 43.3° | 38.0° |
| C20 | C19 | C23 | C22 | 10.0° | 23.7° |
| C20 | C19 | C23 | H19 | 122.2° | 118.7° |
| C19 | C20 | H20B | H20A | 123.4° | 123.3° |
| C19 | C20 | C21 | H21B | 75.6° | 156.7° |
| C19 | C20 | C21 | H21A | 162.1° | 80.7° |
| C20 | C19 | C23 | H23B | 129.4° | 142.9° |
| C20 | C19 | C23 | H23A | 109.5° | 95.6° |
| C20 | C21 | C22 | H21B | 118.8° | 118.7° |
| C20 | C21 | C22 | H21A | 118.9° | 118.6° |
| C20 | C21 | C22 | C23 | 37.5° | 23.6° |
| C20 | C21 | C22 | N24 | 81.8° | 142.9° |
| C21 | C20 | C19 | C23 | 32.9° | 38.0° |
| C21 | C20 | C19 | H19 | 155.0° | 80.7° |
| C21 | C20 | H20B | H20A | 123.4° | 123.3° |
| C20 | C21 | H21B | H21A | 123.3° | 122.5° |
| C20 | C21 | C22 | H22 | 155.2° | 95.7° |
| C21 | C22 | C23 | N24 | 120.0° | 119.3° |
| C21 | C22 | C23 | H22 | 117.8° | 119.3° |
| C21 | C22 | N24 | H22 | 122.4° | 121.4° |
| C21 | C22 | N24 | C25 | 92.9° | 86.5° |
| C21 | C22 | C23 | C19 | 17.2° | 0.1° |
| C22 | C21 | C20 | H20B | 162.1° | 80.4° |
| C22 | C21 | C20 | H20A | 75.6° | 156.2° |
| C22 | C21 | H21B | H21A | 123.4° | 122.7° |
| C21 | C22 | C23 | H23B | 102.2° | 119.2° |
| C21 | C22 | C23 | H23A | 136.6° | 119.3° |
| C21 | C22 | N24 | H24 | 87.0° | 93.6° |
| C23 | C22 | N24 | H22 | 121.6° | 121.4° |
| C23 | C22 | N24 | C25 | 151.1° | 156.3° |
| C22 | C23 | C19 | H23B | 119.4° | 119.2° |
| C22 | C23 | C19 | H23A | 119.4° | 119.3° |
| C22 | C23 | C19 | H19 | 132.1° | 95.1° |
| C23 | C22 | C21 | H21B | 81.3° | 142.3° |
| C23 | C22 | C21 | H21A | 156.4° | 95.1° |
| C22 | C23 | H23B | H23A | 121.7° | 121.5° |
| C23 | C22 | N24 | H24 | 28.9° | 23.6° |
| C22 | N24 | C25 | H24 | 180.0° | 179.9° |
| C22 | N24 | C25 | O26 | 2.8° | 0.1° |
| C22 | N24 | C25 | N27 | 178.6° | 180.0° |
| N24 | C22 | C23 | C19 | 102.8° | 119.2° |
| N24 | C22 | C21 | H21B | 159.3° | 98.4° |
| N24 | C22 | C21 | H21A | 37.0° | 24.3° |
| N24 | C22 | C23 | H23B | 137.8° | 0.0° |
| N24 | C22 | C23 | H23A | 16.6° | 121.4° |
| N24 | C25 | O26 | N27 | 178.5° | 180.0° |
| N24 | C25 | N27 | C28 | 166.2° | 180.0° |
| C25 | N24 | C22 | H22 | 29.5° | 34.9° |
| N24 | C25 | N27 | H27 | 13.7° | 0.1° |
| O26 | C25 | N27 | C28 | 12.4° | 0.0° |
| O26 | C25 | N24 | H24 | 177.3° | 180.0° |
| O26 | C25 | N27 | H27 | 167.6° | 180.0° |
| C25 | N27 | C28 | H27 | 180.0° | 180.0° |
| C25 | N27 | C28 | C29 | 151.8° | 85.7° |
| C25 | N27 | C28 | C34 | 89.2° | 155.0° |
| N27 | C25 | N24 | H24 | 1.4° | 0.1° |
| C25 | N27 | C28 | H28 | 31.4° | 34.6° |
| N27 | C28 | C29 | C34 | 121.8° | 119.8° |
| N27 | C28 | C29 | H28 | 121.0° | 120.3° |
| N27 | C28 | C29 | C30 | 79.9° | 167.0° |
| N27 | C28 | C34 | S31 | 100.6° | 147.8° |
| N27 | C28 | C34 | H28 | 121.1° | 120.4° |
| N27 | C28 | C34 | H34B | 19.1° | 93.3° |
| N27 | C28 | C34 | H34A | 139.7° | 28.8° |
| N27 | C28 | C29 | H29B | 39.9° | 73.7° |
| N27 | C28 | C29 | H29A | 160.3° | 47.8° |
| C28 | C29 | C30 | H29B | 119.8° | 119.3° |
| C28 | C29 | C30 | H29A | 119.8° | 119.3° |
| C28 | C29 | C30 | S31 | 42.3° | 42.4° |
| C29 | C28 | C34 | S31 | 21.1° | 28.0° |
| C29 | C28 | C34 | H28 | 117.2° | 119.8° |
| C28 | C29 | C30 | H30B | 76.6° | 160.7° |
| C28 | C29 | C30 | H30A | 161.2° | 75.9° |
| C29 | C28 | C34 | H34B | 140.8° | 146.8° |
| C29 | C28 | C34 | H34A | 98.6° | 91.1° |
| C29 | C28 | N27 | H27 | 28.2° | 94.3° |
| C28 | C29 | H29B | H29A | 120.6° | 121.5° |
| C29 | C30 | S31 | H30B | 118.9° | 118.3° |
| C29 | C30 | S31 | H30A | 118.9° | 118.5° |
| C29 | C30 | S31 | O32 | 142.5° | 90.2° |
| C29 | C30 | S31 | O33 | 87.3° | 136.7° |
| C29 | C30 | S31 | C34 | 26.1° | 23.2° |
| C30 | C29 | C28 | C34 | 41.9° | 47.2° |
| C29 | C30 | H30B | H30A | 123.2° | 123.5° |
| C30 | C29 | C28 | H28 | 159.1° | 72.6° |
| C30 | C29 | H29B | H29A | 120.6° | 121.4° |
| C30 | S31 | O32 | O33 | 125.1° | 127.4° |
| C30 | S31 | O32 | C34 | 107.2° | 105.1° |
| C30 | S31 | O33 | C34 | 104.8° | 105.1° |
| C30 | S31 | C34 | C28 | 3.1° | 2.1° |
| S31 | C30 | H30B | H30A | 123.2° | 123.3° |
| C30 | S31 | C34 | H34B | 116.6° | 121.1° |
| C30 | S31 | C34 | H34A | 122.8° | 116.9° |
| S31 | C30 | C29 | H29B | 162.1° | 161.7° |
| S31 | C30 | C29 | H29A | 77.5° | 76.8° |
| O32 | S31 | O33 | C34 | 128.6° | 127.5° |
| O32 | S31 | C34 | C28 | 119.1° | 115.5° |
| O32 | S31 | C30 | H30B | 23.5° | 28.1° |
| O32 | S31 | C30 | H30A | 98.7° | 151.4° |
| O32 | S31 | C34 | H34B | 0.6° | 125.6° |
| O32 | S31 | C34 | H34A | 121.2° | 3.5° |
| O33 | S31 | C34 | C28 | 109.1° | 111.3° |
| O33 | S31 | C30 | H30B | 153.8° | 105.0° |
| O33 | S31 | C30 | H30A | 31.6° | 18.2° |
| O33 | S31 | C34 | H34B | 131.3° | 7.6° |
| O33 | S31 | C34 | H34A | 10.7° | 129.7° |
| S31 | C34 | C28 | H34B | 119.7° | 118.9° |
| S31 | C34 | C28 | H34A | 119.7° | 119.0° |
| C34 | S31 | C30 | H30B | 92.8° | 141.5° |
| C34 | S31 | C30 | H30A | 145.0° | 95.3° |
| S31 | C34 | H34B | H34A | 120.8° | 122.2° |
| S31 | C34 | C28 | H28 | 138.3° | 91.8° |
| N10 | C35 | O36 | C37 | 176.9° | 180.0° |
| N10 | C35 | C37 | C38 | 151.2° | 137.4° |
| C35 | N10 | C11 | C16 | 97.8° | 139.1° |
| C35 | N10 | C2 | H2 | 4.3° | 123.4° |
| N10 | C35 | C37 | H37B | 30.4° | 17.4° |
| N10 | C35 | C37 | H37A | 88.0° | 102.6° |
| O36 | C35 | C37 | C38 | 25.8° | 42.6° |
| O36 | C35 | C37 | H37B | 146.6° | 162.6° |
| O36 | C35 | C37 | H37A | 95.0° | 77.4° |
| C35 | C37 | C38 | H37B | 120.8° | 120.0° |
| C35 | C37 | C38 | H37A | 120.8° | 120.0° |
| C35 | C37 | H37B | H37A | 117.5° | 120.0° |
| C35 | C37 | C38 | H38C | 180.0° | 60.0° |
| C35 | C37 | C38 | H38B | 60.0° | 60.0° |
| C35 | C37 | C38 | H38A | 60.0° | 180.0° |
| C38 | C37 | H37B | H37A | 117.5° | 120.0° |
| C37 | C38 | H38C | H38B | 120.0° | 120.0° |
| C37 | C38 | H38C | H38A | 120.0° | 120.0° |
| C37 | C38 | H38B | H38A | 120.0° | 120.0° |
| C8 | C3 | C2 | H2 | 38.9° | 157.0° |
| C3 | C8 | C7 | H7 | 179.7° | 179.9° |
| C8 | C3 | C4 | H4 | 179.9° | 179.7° |
| C16 | C11 | C12 | H12 | 179.9° | 180.0° |
| C23 | C19 | C20 | H20B | 151.8° | 80.3° |
| C23 | C19 | C20 | H20A | 85.9° | 156.3° |
| C19 | C23 | C22 | H22 | 135.0° | 119.3° |
| C19 | C23 | H23B | H23A | 121.7° | 121.4° |
| C28 | C34 | H34B | H34A | 120.8° | 122.2° |
| C34 | C28 | N27 | H27 | 90.9° | 25.0° |
| C34 | C28 | C29 | H29B | 161.7° | 166.5° |
| C34 | C28 | C29 | H29A | 77.9° | 72.1° |
| H1C | C1 | H1A | H1B | 120.0° | 120.0° |
| H1C | C1 | C2 | H2 | 61.1° | 59.7° |
| H1A | C1 | C2 | H2 | 179.0° | 179.7° |
| H1B | C1 | C2 | H2 | 58.9° | 60.3° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| H19 | C19 | C20 | H20B | 86.2° | 160.9° |
| H19 | C19 | C20 | H20A | 36.2° | 37.6° |
| H19 | C19 | C23 | H23B | 108.4° | 24.1° |
| H19 | C19 | C23 | H23A | 12.7° | 145.6° |
| H20B | C20 | C21 | H21B | 43.3° | 38.3° |
| H20B | C20 | C21 | H21A | 79.0° | 160.9° |
| H20A | C20 | C21 | H21B | 165.6° | 85.0° |
| H20A | C20 | C21 | H21A | 43.3° | 37.6° |
| H21B | C21 | C22 | H22 | 36.4° | 23.0° |
| H21A | C21 | C22 | H22 | 85.9° | 145.7° |
| H22 | C22 | C23 | H23B | 15.6° | 121.5° |
| H22 | C22 | C23 | H23A | 105.6° | 0.0° |
| H22 | C22 | N24 | H24 | 150.6° | 145.0° |
| H30B | C30 | C29 | H29B | 43.2° | 80.0° |
| H30B | C30 | C29 | H29A | 163.6° | 41.5° |
| H30A | C30 | C29 | H29B | 79.0° | 43.4° |
| H30A | C30 | C29 | H29A | 41.4° | 164.8° |
| H34B | C34 | C28 | H28 | 102.0° | 27.1° |
| H34A | C34 | C28 | H28 | 18.6° | 149.2° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H27 | N27 | C28 | H28 | 148.5° | 145.4° |
| H28 | C28 | C29 | H29B | 81.0° | 46.6° |
| H28 | C28 | C29 | H29A | 39.4° | 168.1° |
| H37B | C37 | C38 | H38C | 59.2° | 180.0° |
| H37B | C37 | C38 | H38B | 179.2° | 60.0° |
| H37B | C37 | C38 | H38A | 60.8° | 60.0° |
| H37A | C37 | C38 | H38C | 59.2° | 60.0° |
| H37A | C37 | C38 | H38B | 60.9° | 180.0° |
| H37A | C37 | C38 | H38A | 179.2° | 60.0° |
| H38C | C38 | H38B | H38A | 120.0° | 120.0° |
