D1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | CL7 | sing | 1.74Å | 1.75Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N8 | sing | 1.40Å | 1.44Å | |
| N8 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O18 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N19 | sing | 1.40Å | 1.46Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C23 | sing | 1.48Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.47Å | 1.50Å | |
| C20 | O22 | doub | 1.22Å | 1.22Å | |
| C21 | N26 | doub | 1.30Å | 1.34Å | Aromatic |
| C21 | S29 | sing | 1.76Å | 1.70Å | Aromatic |
| C23 | O24 | sing | 1.35Å | 1.27Å | |
| C23 | O25 | doub | 1.21Å | 1.26Å | |
| N26 | C27 | sing | 1.31Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | C33 | sing | 1.52Å | 1.53Å | |
| C28 | S29 | sing | 1.71Å | 1.70Å | Aromatic |
| C28 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | N31 | sing | 1.47Å | 1.51Å | |
| N31 | C32 | sing | 1.47Å | 1.52Å | |
| N31 | C34 | sing | 1.47Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C1 | C2 | C3 | 118.8° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 120.6° | 120.0° |
| C1 | C6 | C5 | 120.1° | 119.8° |
| C1 | C6 | N8 | 120.9° | 120.1° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 121.6° | 120.1° |
| C2 | C3 | CL7 | 117.7° | 119.9° |
| C3 | C2 | H2 | 120.6° | 120.0° |
| C4 | C3 | CL7 | 120.6° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | C6 | 119.2° | 119.9° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.1° |
| C5 | C6 | N8 | 118.2° | 120.1° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C6 | N8 | C9 | 130.4° | 120.0° |
| C6 | N8 | HN8 | 114.8° | 120.0° |
| N8 | C9 | C10 | 114.6° | 120.0° |
| N8 | C9 | O18 | 126.0° | 120.0° |
| C9 | N8 | HN8 | 114.8° | 120.0° |
| C10 | C9 | O18 | 119.5° | 120.0° |
| C9 | C10 | C11 | 112.3° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.4° |
| C9 | C10 | H10A | 108.5° | 109.5° |
| C10 | C11 | C12 | 107.6° | 109.5° |
| C11 | C10 | H10 | 108.5° | 109.4° |
| C11 | C10 | H10A | 108.5° | 109.5° |
| C10 | C11 | H11 | 110.1° | 109.5° |
| C10 | C11 | H11A | 110.1° | 109.5° |
| C11 | C12 | C13 | 124.0° | 119.9° |
| C11 | C12 | C17 | 115.3° | 119.9° |
| C12 | C11 | H11 | 110.1° | 109.4° |
| C12 | C11 | H11A | 110.1° | 109.4° |
| C13 | C12 | C17 | 120.7° | 120.2° |
| C12 | C13 | C14 | 118.2° | 120.0° |
| C12 | C13 | N19 | 120.6° | 120.0° |
| C12 | C17 | C16 | 120.0° | 120.3° |
| C12 | C17 | H17 | 120.0° | 119.9° |
| C14 | C13 | N19 | 121.1° | 120.0° |
| C13 | C14 | C15 | 120.9° | 119.8° |
| C13 | C14 | H14 | 119.6° | 120.1° |
| C13 | N19 | C20 | 132.0° | 120.0° |
| C13 | N19 | HN19 | 114.0° | 120.0° |
| C14 | C15 | C16 | 120.1° | 119.8° |
| C14 | C15 | C23 | 119.8° | 120.1° |
| C15 | C14 | H14 | 119.5° | 120.1° |
| C16 | C15 | C23 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C15 | C23 | O24 | 120.7° | 120.0° |
| C15 | C23 | O25 | 116.1° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 119.9° |
| N19 | C20 | C21 | 117.7° | 120.0° |
| N19 | C20 | O22 | 124.8° | 120.0° |
| C20 | N19 | HN19 | 114.0° | 120.0° |
| C21 | C20 | O22 | 117.5° | 120.0° |
| C20 | C21 | N26 | 127.6° | 125.6° |
| C20 | C21 | S29 | 115.4° | 125.6° |
| N26 | C21 | S29 | 117.0° | 108.9° |
| C21 | N26 | C27 | 108.3° | 116.8° |
| C21 | S29 | C28 | 87.8° | 90.4° |
| O24 | C23 | O25 | 123.2° | 120.0° |
| C23 | O24 | HO24 | 109.5° | 117.0° |
| N26 | C27 | C28 | 114.7° | 114.4° |
| N26 | C27 | C33 | 124.0° | 124.0° |
| C28 | C27 | C33 | 121.3° | 121.6° |
| C27 | C28 | S29 | 112.1° | 109.6° |
| C27 | C28 | C30 | 125.8° | 124.3° |
| C27 | C33 | C32 | 112.3° | 108.2° |
| C27 | C33 | H33 | 108.5° | 109.8° |
| C27 | C33 | H33A | 108.6° | 109.7° |
| S29 | C28 | C30 | 122.1° | 126.1° |
| C28 | C30 | N31 | 111.4° | 108.5° |
| C28 | C30 | H30 | 108.8° | 109.6° |
| C28 | C30 | H30A | 108.8° | 109.7° |
| C30 | N31 | C32 | 115.4° | 110.9° |
| C30 | N31 | C34 | 115.0° | 111.0° |
| N31 | C30 | H30 | 108.8° | 109.6° |
| N31 | C30 | H30A | 108.8° | 109.6° |
| C32 | N31 | C34 | 118.2° | 111.0° |
| N31 | C32 | C33 | 112.7° | 109.6° |
| N31 | C32 | H32 | 108.4° | 109.4° |
| N31 | C32 | H32A | 108.4° | 109.4° |
| N31 | C34 | C35 | 109.3° | 109.5° |
| N31 | C34 | C36 | 113.8° | 109.5° |
| N31 | C34 | H34 | 107.3° | 109.5° |
| C33 | C32 | H32 | 108.4° | 109.5° |
| C33 | C32 | H32A | 108.4° | 109.5° |
| C32 | C33 | H33 | 108.6° | 109.7° |
| C32 | C33 | H33A | 108.5° | 109.7° |
| C35 | C34 | C36 | 111.7° | 109.5° |
| C35 | C34 | H34 | 109.7° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.4° |
| C34 | C35 | H35B | 109.5° | 109.5° |
| C36 | C34 | H34 | 104.7° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.4° |
| C34 | C36 | H36A | 109.5° | 109.5° |
| C34 | C36 | H36B | 109.4° | 109.5° |
| H10 | C10 | H10A | 110.4° | 109.5° |
| H11 | C11 | H11A | 108.9° | 109.5° |
| H30 | C30 | H30A | 110.1° | 109.8° |
| H32 | C32 | H32A | 110.5° | 109.5° |
| H33 | C33 | H33A | 110.4° | 109.8° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | CL7 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C2 | C1 | C6 | N8 | 169.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | N8 | 170.3° | 179.9° |
| C1 | C6 | N8 | C9 | 32.4° | 33.4° |
| C6 | C1 | C2 | H2 | 179.5° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1 | C6 | N8 | HN8 | 147.6° | 146.6° |
| C2 | C3 | C4 | CL7 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.8° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| CL7 | C3 | C4 | C5 | 179.5° | 180.0° |
| CL7 | C3 | C2 | H2 | 0.2° | 0.0° |
| CL7 | C3 | C4 | H4 | 0.5° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N8 | 169.9° | 180.0° |
| C5 | C6 | N8 | C9 | 157.4° | 146.7° |
| C5 | C6 | C1 | H1 | 179.3° | 179.7° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | N8 | HN8 | 22.6° | 33.3° |
| C6 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C6 | N8 | C9 | C10 | 167.1° | 175.0° |
| C6 | N8 | C9 | O18 | 12.6° | 4.9° |
| N8 | C6 | C1 | H1 | 10.7° | 0.2° |
| N8 | C6 | C5 | H5 | 10.1° | 0.1° |
| N8 | C9 | C10 | O18 | 179.7° | 179.9° |
| N8 | C9 | C10 | C11 | 153.1° | 180.0° |
| N8 | C9 | C10 | H10 | 33.0° | 60.1° |
| N8 | C9 | C10 | H10A | 86.9° | 60.0° |
| C9 | C10 | C11 | H10 | 120.0° | 119.9° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 161.6° | 180.0° |
| C10 | C9 | N8 | HN8 | 12.9° | 5.0° |
| C9 | C10 | H10 | H10A | 118.8° | 120.0° |
| C9 | C10 | C11 | H11 | 78.4° | 60.1° |
| C9 | C10 | C11 | H11A | 41.6° | 60.0° |
| O18 | C9 | C10 | C11 | 27.2° | 0.1° |
| O18 | C9 | N8 | HN8 | 167.4° | 175.0° |
| O18 | C9 | C10 | H10 | 147.2° | 120.0° |
| O18 | C9 | C10 | H10A | 92.8° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 103.4° | 85.0° |
| C10 | C11 | C12 | C17 | 75.7° | 95.2° |
| C11 | C10 | H10 | H10A | 118.8° | 120.0° |
| C10 | C11 | H11 | H11A | 120.7° | 120.0° |
| C11 | C12 | C13 | C17 | 179.0° | 179.8° |
| C11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C11 | C12 | C13 | N19 | 0.5° | 0.0° |
| C11 | C12 | C17 | C16 | 179.4° | 179.7° |
| C12 | C11 | C10 | H10 | 41.6° | 60.0° |
| C12 | C11 | C10 | H10A | 78.4° | 60.0° |
| C12 | C11 | H11 | H11A | 120.8° | 119.9° |
| C11 | C12 | C17 | H17 | 0.6° | 0.1° |
| C12 | C13 | C14 | N19 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.5° |
| C12 | C13 | N19 | C20 | 133.7° | 157.9° |
| C13 | C12 | C11 | H11 | 136.6° | 35.0° |
| C13 | C12 | C11 | H11A | 16.6° | 155.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C17 | H17 | 179.7° | 179.7° |
| C12 | C13 | N19 | HN19 | 46.3° | 22.1° |
| C17 | C12 | C13 | C14 | 0.3° | 0.2° |
| C17 | C12 | C13 | N19 | 179.5° | 179.8° |
| C12 | C17 | C16 | C15 | 0.0° | 0.5° |
| C12 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C12 | C11 | H11 | 44.3° | 144.8° |
| C17 | C12 | C11 | H11A | 164.3° | 24.8° |
| C12 | C17 | C16 | H16 | 180.0° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | C23 | 179.5° | 180.0° |
| C14 | C13 | N19 | C20 | 46.1° | 22.1° |
| C14 | C13 | N19 | HN19 | 133.9° | 157.9° |
| N19 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C13 | N19 | C20 | C21 | 177.0° | 174.3° |
| C13 | N19 | C20 | O22 | 3.7° | 5.6° |
| N19 | C13 | C14 | H14 | 0.2° | 0.0° |
| C14 | C15 | C16 | C23 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C14 | C15 | C23 | O24 | 145.6° | 180.0° |
| C14 | C15 | C23 | O25 | 34.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C16 | C15 | C23 | O24 | 34.7° | 0.1° |
| C16 | C15 | C23 | O25 | 145.6° | 180.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.7° |
| C23 | C15 | C16 | C17 | 179.5° | 179.7° |
| C15 | C23 | O24 | O25 | 179.7° | 179.9° |
| C23 | C15 | C14 | H14 | 0.5° | 0.0° |
| C23 | C15 | C16 | H16 | 0.5° | 0.0° |
| C15 | C23 | O24 | HO24 | 179.7° | 180.0° |
| N19 | C20 | C21 | O22 | 179.3° | 179.9° |
| N19 | C20 | C21 | N26 | 7.2° | 0.1° |
| N19 | C20 | C21 | S29 | 173.5° | 179.7° |
| C20 | C21 | N26 | S29 | 179.3° | 179.7° |
| C20 | C21 | N26 | C27 | 179.3° | 180.0° |
| C20 | C21 | S29 | C28 | 179.6° | 179.9° |
| C21 | C20 | N19 | HN19 | 3.0° | 5.7° |
| O22 | C20 | C21 | N26 | 172.2° | 180.0° |
| O22 | C20 | C21 | S29 | 7.1° | 0.4° |
| O22 | C20 | N19 | HN19 | 176.3° | 174.4° |
| C21 | N26 | C27 | C28 | 0.2° | 0.0° |
| C21 | N26 | C27 | C33 | 179.7° | 179.9° |
| N26 | C21 | S29 | C28 | 0.2° | 0.4° |
| S29 | C21 | N26 | C27 | 0.1° | 0.3° |
| C21 | S29 | C28 | C27 | 0.3° | 0.4° |
| C21 | S29 | C28 | C30 | 179.5° | 179.8° |
| O25 | C23 | O24 | HO24 | 0.0° | 0.1° |
| N26 | C27 | C28 | C33 | 179.6° | 180.0° |
| N26 | C27 | C28 | S29 | 0.3° | 0.3° |
| N26 | C27 | C28 | C30 | 179.4° | 179.8° |
| N26 | C27 | C33 | C32 | 164.6° | 163.2° |
| N26 | C27 | C33 | H33 | 75.4° | 77.1° |
| N26 | C27 | C33 | H33A | 44.6° | 43.6° |
| C27 | C28 | S29 | C30 | 179.7° | 179.8° |
| C27 | C28 | C30 | N31 | 10.0° | 16.0° |
| C28 | C27 | C33 | C32 | 15.9° | 16.7° |
| C27 | C28 | C30 | H30 | 110.0° | 103.7° |
| C27 | C28 | C30 | H30A | 130.0° | 135.7° |
| C28 | C27 | C33 | H33 | 104.1° | 102.9° |
| C28 | C27 | C33 | H33A | 135.9° | 136.4° |
| C33 | C27 | C28 | S29 | 179.9° | 179.6° |
| C33 | C27 | C28 | C30 | 0.2° | 0.2° |
| C27 | C33 | C32 | N31 | 41.9° | 50.7° |
| C27 | C33 | C32 | H33 | 120.0° | 119.7° |
| C27 | C33 | C32 | H33A | 120.0° | 119.7° |
| C27 | C33 | C32 | H32 | 78.1° | 69.3° |
| C27 | C33 | C32 | H32A | 161.9° | 170.6° |
| C27 | C33 | H33 | H33A | 118.9° | 120.7° |
| S29 | C28 | C30 | N31 | 169.7° | 164.2° |
| S29 | C28 | C30 | H30 | 70.3° | 76.2° |
| S29 | C28 | C30 | H30A | 49.7° | 44.5° |
| C28 | C30 | N31 | H30 | 120.0° | 119.7° |
| C28 | C30 | N31 | H30A | 120.0° | 119.7° |
| C28 | C30 | N31 | C32 | 37.2° | 51.0° |
| C28 | C30 | N31 | C34 | 179.7° | 174.8° |
| C28 | C30 | H30 | H30A | 119.2° | 120.5° |
| C30 | N31 | C32 | C34 | 141.8° | 123.9° |
| C30 | N31 | C32 | C33 | 54.9° | 72.1° |
| C30 | N31 | C34 | C35 | 154.1° | 56.1° |
| C30 | N31 | C34 | C36 | 80.1° | 176.0° |
| N31 | C30 | H30 | H30A | 119.2° | 120.5° |
| C30 | N31 | C32 | H32 | 65.1° | 48.0° |
| C30 | N31 | C32 | H32A | 174.9° | 167.9° |
| C30 | N31 | C34 | H34 | 35.3° | 64.0° |
| N31 | C32 | C33 | H32 | 120.0° | 120.0° |
| N31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C32 | N31 | C34 | C35 | 63.9° | 179.9° |
| C32 | N31 | C34 | C36 | 61.8° | 60.2° |
| C32 | N31 | C30 | H30 | 82.8° | 68.7° |
| C32 | N31 | C30 | H30A | 157.3° | 170.7° |
| N31 | C32 | H32 | H32A | 118.7° | 119.9° |
| N31 | C32 | C33 | H33 | 78.1° | 69.0° |
| N31 | C32 | C33 | H33A | 161.9° | 170.3° |
| C32 | N31 | C34 | H34 | 177.2° | 59.8° |
| C34 | N31 | C32 | C33 | 163.3° | 164.0° |
| N31 | C34 | C35 | C36 | 126.9° | 120.0° |
| N31 | C34 | C35 | H34 | 117.4° | 120.0° |
| N31 | C34 | C36 | H34 | 116.9° | 120.0° |
| C34 | N31 | C30 | H30 | 60.3° | 55.2° |
| C34 | N31 | C30 | H30A | 59.7° | 65.4° |
| C34 | N31 | C32 | H32 | 76.7° | 75.9° |
| C34 | N31 | C32 | H32A | 43.3° | 44.0° |
| N31 | C34 | C35 | H35 | 180.0° | 180.0° |
| N31 | C34 | C35 | H35A | 60.0° | 60.0° |
| N31 | C34 | C35 | H35B | 60.0° | 60.0° |
| N31 | C34 | C36 | H36 | 180.0° | 60.0° |
| N31 | C34 | C36 | H36A | 60.0° | 180.0° |
| N31 | C34 | C36 | H36B | 60.0° | 60.0° |
| C33 | C32 | H32 | H32A | 118.7° | 120.0° |
| C32 | C33 | H33 | H33A | 118.9° | 120.6° |
| C35 | C34 | C36 | H34 | 118.7° | 120.0° |
| C34 | C35 | H35 | H35A | 120.0° | 119.9° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C34 | C36 | H36 | 55.5° | 180.0° |
| C35 | C34 | C36 | H36A | 64.5° | 60.0° |
| C35 | C34 | C36 | H36B | 175.6° | 60.0° |
| C36 | C34 | C35 | H35 | 53.1° | 60.0° |
| C36 | C34 | C35 | H35A | 173.1° | 180.0° |
| C36 | C34 | C35 | H35B | 66.9° | 60.0° |
| C34 | C36 | H36 | H36A | 120.0° | 120.0° |
| C34 | C36 | H36 | H36B | 120.0° | 120.0° |
| C34 | C36 | H36A | H36B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.2° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H10 | C10 | C11 | H11 | 161.6° | 180.0° |
| H10 | C10 | C11 | H11A | 78.4° | 59.9° |
| H10A | C10 | C11 | H11 | 41.6° | 60.0° |
| H10A | C10 | C11 | H11A | 161.6° | 180.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| H32 | C32 | C33 | H33 | 161.9° | 171.0° |
| H32 | C32 | C33 | H33A | 41.9° | 50.3° |
| H32A | C32 | C33 | H33 | 41.9° | 50.9° |
| H32A | C32 | C33 | H33A | 78.1° | 69.7° |
| H34 | C34 | C35 | H35 | 62.6° | 60.0° |
| H34 | C34 | C35 | H35A | 57.4° | 60.0° |
| H34 | C34 | C35 | H35B | 177.4° | 180.0° |
| H34 | C34 | C36 | H36 | 63.1° | 60.0° |
| H34 | C34 | C36 | H36A | 176.9° | 60.0° |
| H34 | C34 | C36 | H36B | 56.9° | NaN° |
| H35 | C35 | H35A | H35B | 119.9° | 120.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
