A1ETB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.33Å | 1.36Å | Aromatic |
| N9 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C8 | N11 | sing | 1.38Å | 1.35Å | |
| C10 | C12 | sing | 1.51Å | 1.50Å | |
| N11 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| C15 | N11 | sing | 1.47Å | 1.47Å | |
| C14 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N20 | doub | 1.33Å | 1.33Å | Aromatic |
| N20 | C16 | sing | 1.32Å | 1.37Å | Aromatic |
| N18 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.35Å | Aromatic |
| C24 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | F25 | sing | 1.35Å | 1.35Å | |
| C19 | N18 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C26 | sing | 1.42Å | 1.50Å | |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C26 | N28 | sing | 1.35Å | 1.35Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | N31 | sing | 1.47Å | 1.49Å | |
| N31 | C32 | sing | 1.47Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | N28 | sing | 1.47Å | 1.47Å | |
| C32 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | C32 | sing | 1.53Å | 1.51Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N31 | H31 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.8° | 121.0° |
| C2 | C1 | C6 | 120.6° | 121.0° |
| C2 | C1 | H1 | 119.7° | 119.5° |
| C1 | C2 | H2 | 119.6° | 119.5° |
| C2 | C3 | C4 | 120.3° | 119.6° |
| C3 | C2 | H2 | 119.6° | 119.5° |
| C2 | C3 | H3 | 119.9° | 120.2° |
| C3 | C4 | C5 | 118.9° | 119.3° |
| C3 | C4 | N7 | 119.0° | 122.0° |
| C4 | C3 | H3 | 119.8° | 120.2° |
| C4 | C5 | C6 | 118.9° | 119.6° |
| C5 | C4 | N7 | 122.0° | 118.7° |
| C4 | C5 | C10 | 116.4° | 118.4° |
| C5 | C6 | C1 | 120.6° | 119.5° |
| C6 | C5 | C10 | 124.8° | 122.1° |
| C5 | C6 | H6 | 119.7° | 120.2° |
| C6 | C1 | H1 | 119.7° | 119.5° |
| C1 | C6 | H6 | 119.7° | 120.3° |
| C4 | N7 | C8 | 115.2° | 120.2° |
| N7 | C8 | N9 | 127.4° | 122.6° |
| N7 | C8 | N11 | 115.2° | 118.7° |
| C8 | N9 | C10 | 116.9° | 121.6° |
| N9 | C8 | N11 | 116.9° | 118.7° |
| N9 | C10 | C5 | 122.1° | 118.5° |
| N9 | C10 | C12 | 116.6° | 120.8° |
| C5 | C10 | C12 | 121.3° | 120.8° |
| C8 | N11 | C13 | 132.2° | 111.0° |
| C8 | N11 | C15 | 132.6° | 111.0° |
| C10 | C12 | H12A | 109.5° | 109.5° |
| C10 | C12 | H12B | 109.4° | 109.4° |
| C10 | C12 | H12C | 109.5° | 109.5° |
| N11 | C13 | C14 | 88.1° | 87.9° |
| C13 | N11 | C15 | 94.9° | 87.8° |
| N11 | C13 | H13A | 114.5° | 113.5° |
| N11 | C13 | H13B | 114.5° | 113.4° |
| C13 | C14 | C15 | 88.6° | 83.6° |
| C13 | C14 | C16 | 120.2° | 114.2° |
| C14 | C13 | H13A | 114.5° | 113.5° |
| C14 | C13 | H13B | 114.5° | 113.5° |
| C13 | C14 | H14 | 108.5° | 114.2° |
| C14 | C15 | N11 | 88.2° | 87.9° |
| C15 | C14 | C16 | 120.0° | 114.2° |
| C15 | C14 | H14 | 108.5° | 114.2° |
| C14 | C15 | H15A | 114.5° | 113.5° |
| C14 | C15 | H15B | 114.5° | 113.5° |
| N11 | C15 | H15A | 114.5° | 113.5° |
| N11 | C15 | H15B | 114.5° | 113.4° |
| C14 | C16 | C17 | 128.0° | 125.9° |
| C14 | C16 | N20 | 120.4° | 125.9° |
| C16 | C14 | H14 | 109.3° | 113.4° |
| C16 | C17 | N18 | 104.8° | 106.4° |
| C17 | C16 | N20 | 111.6° | 108.2° |
| C16 | C17 | C26 | 130.0° | 126.8° |
| C17 | N18 | C21 | 131.0° | 132.3° |
| C17 | N18 | C19 | 106.6° | 107.0° |
| N18 | C17 | C26 | 124.9° | 126.8° |
| C19 | N20 | C16 | 105.8° | 109.8° |
| N20 | C19 | C24 | 130.6° | 131.8° |
| N20 | C19 | N18 | 111.2° | 108.6° |
| N18 | C21 | C22 | 118.0° | 120.6° |
| C21 | N18 | C19 | 122.4° | 120.7° |
| N18 | C21 | H21 | 121.1° | 119.7° |
| C21 | C22 | C23 | 122.3° | 120.1° |
| C21 | C22 | F25 | 120.4° | 119.9° |
| C22 | C21 | H21 | 121.0° | 119.7° |
| C22 | C23 | C24 | 119.5° | 119.6° |
| C23 | C22 | F25 | 117.3° | 120.0° |
| C22 | C23 | H23 | 120.3° | 120.2° |
| C23 | C24 | C19 | 119.6° | 119.4° |
| C24 | C23 | H23 | 120.2° | 120.2° |
| C23 | C24 | H24 | 120.2° | 120.3° |
| C24 | C19 | N18 | 118.2° | 119.6° |
| C19 | C24 | H24 | 120.2° | 120.3° |
| C17 | C26 | O27 | 119.3° | 120.0° |
| C17 | C26 | N28 | 119.3° | 120.0° |
| O27 | C26 | N28 | 121.4° | 120.0° |
| C26 | N28 | C29 | 119.6° | 120.9° |
| C26 | N28 | C33 | 125.2° | 121.0° |
| N28 | C29 | C30 | 110.7° | 109.0° |
| C29 | N28 | C33 | 115.0° | 118.2° |
| N28 | C29 | H29A | 109.2° | 109.5° |
| N28 | C29 | H29B | 109.1° | 109.6° |
| C29 | C30 | N31 | 109.9° | 109.6° |
| C30 | C29 | H29A | 109.2° | 109.5° |
| C30 | C29 | H29B | 109.2° | 109.6° |
| C29 | C30 | H30A | 109.4° | 109.5° |
| C29 | C30 | H30B | 109.4° | 109.4° |
| C30 | N31 | C32 | 110.1° | 110.8° |
| N31 | C30 | H30A | 109.4° | 109.5° |
| N31 | C30 | H30B | 109.3° | 109.4° |
| C30 | N31 | H31 | 109.3° | 111.0° |
| N31 | C32 | C33 | 118.2° | 114.9° |
| N31 | C32 | C34 | 112.2° | 117.9° |
| N31 | C32 | C35 | 116.8° | 117.8° |
| C32 | N31 | H31 | 109.3° | 111.0° |
| C32 | C33 | N28 | 118.7° | 107.8° |
| C33 | C32 | C34 | 117.5° | 117.7° |
| C33 | C32 | C35 | 118.8° | 117.6° |
| C32 | C33 | H33A | 107.1° | 109.8° |
| C32 | C33 | H33B | 107.1° | 109.8° |
| N28 | C33 | H33A | 107.1° | 109.8° |
| N28 | C33 | H33B | 107.1° | 109.8° |
| C32 | C34 | C35 | 60.1° | 59.9° |
| C34 | C32 | C35 | 59.7° | 60.1° |
| C32 | C34 | H34A | 120.0° | 117.5° |
| C32 | C34 | H34B | 120.0° | 117.5° |
| C34 | C35 | C32 | 60.1° | 59.9° |
| C35 | C34 | H34A | 120.0° | 117.5° |
| C35 | C34 | H34B | 120.0° | 117.5° |
| C34 | C35 | H35A | 120.0° | 117.5° |
| C34 | C35 | H35B | 120.0° | 117.5° |
| C32 | C35 | H35A | 120.0° | 117.5° |
| C32 | C35 | H35B | 120.0° | 117.5° |
| H13A | C13 | H13B | 109.5° | 112.8° |
| H15A | C15 | H15B | 109.5° | 112.8° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12C | 109.5° | 109.5° |
| H12B | C12 | H12C | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.9° |
| H34A | C34 | H34B | 109.5° | 115.6° |
| H35A | C35 | H35B | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C2 | C1 | C6 | 0.0° | 0.1° |
| C2 | C3 | C4 | N7 | 178.5° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | N7 | 178.5° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | N7 | C8 | 177.8° | 179.5° |
| C3 | C4 | C5 | C10 | 178.3° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C10 | 178.2° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | C4 | N7 | C8 | 0.7° | 0.6° |
| C4 | C5 | C10 | N9 | 0.2° | 0.3° |
| C4 | C5 | C10 | C12 | 179.2° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | N7 | 178.5° | 180.0° |
| C6 | C5 | C10 | N9 | 178.4° | 179.8° |
| C6 | C5 | C10 | C12 | 1.0° | 0.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C10 | 178.2° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C4 | N7 | C8 | N9 | 1.4° | 0.8° |
| N7 | C4 | C5 | C10 | 0.1° | 0.0° |
| C4 | N7 | C8 | N11 | 170.2° | 179.7° |
| N7 | C4 | C3 | H3 | 1.5° | 0.1° |
| N7 | C8 | N9 | N11 | 171.5° | 179.4° |
| N7 | C8 | N9 | C10 | 1.5° | 0.6° |
| N7 | C8 | N11 | C13 | 10.9° | 0.6° |
| N7 | C8 | N11 | C15 | 178.0° | 95.4° |
| C8 | N9 | C10 | C5 | 0.8° | 0.0° |
| C8 | N9 | C10 | C12 | 178.6° | 179.8° |
| N9 | C8 | N11 | C13 | 161.6° | 180.0° |
| N9 | C8 | N11 | C15 | 9.5° | 84.0° |
| N9 | C10 | C5 | C12 | 179.4° | 179.7° |
| C10 | N9 | C8 | N11 | 170.0° | 180.0° |
| N9 | C10 | C12 | H12A | 0.0° | 90.2° |
| N9 | C10 | C12 | H12B | 120.0° | 29.7° |
| N9 | C10 | C12 | H12C | 120.0° | 149.7° |
| C5 | C10 | C12 | H12A | 179.4° | 90.0° |
| C5 | C10 | C12 | H12B | 60.6° | 150.0° |
| C5 | C10 | C12 | H12C | 59.4° | 30.0° |
| C10 | C5 | C6 | H6 | 1.8° | 0.0° |
| C8 | N11 | C13 | C15 | 173.5° | 111.7° |
| C8 | N11 | C13 | C14 | 169.6° | 84.7° |
| C8 | N11 | C15 | C14 | 169.6° | 84.7° |
| C8 | N11 | C13 | H13A | 53.5° | 30.1° |
| C8 | N11 | C13 | H13B | 74.2° | 160.6° |
| C8 | N11 | C15 | H15A | 53.4° | 160.5° |
| C8 | N11 | C15 | H15B | 74.2° | 30.0° |
| C10 | C12 | H12A | H12B | 120.0° | 119.9° |
| C10 | C12 | H12A | H12C | 120.0° | 120.0° |
| C10 | C12 | H12B | H12C | 120.0° | 120.0° |
| N11 | C13 | C14 | H13A | 116.2° | 114.8° |
| N11 | C13 | C14 | H13B | 116.2° | 114.7° |
| C13 | N11 | C15 | C14 | 3.8° | 27.0° |
| N11 | C13 | C14 | C16 | 127.9° | 139.7° |
| N11 | C13 | H13A | H13B | 130.1° | 130.8° |
| N11 | C13 | C14 | H14 | 105.4° | 87.6° |
| C13 | N11 | C15 | H15A | 120.0° | 87.8° |
| C13 | N11 | C15 | H15B | 112.4° | 141.7° |
| C13 | C14 | C15 | C16 | 124.5° | 113.7° |
| C13 | C14 | C15 | H14 | 109.0° | 113.7° |
| C13 | C14 | C16 | H14 | 126.3° | 133.1° |
| C13 | C14 | C16 | C17 | 136.4° | 120.0° |
| C13 | C14 | C16 | N20 | 41.1° | 60.0° |
| C14 | C13 | H13A | H13B | 130.1° | 130.8° |
| C13 | C14 | C15 | H15A | 119.8° | 88.7° |
| C13 | C14 | C15 | H15B | 112.6° | 140.7° |
| C14 | C15 | N11 | H15A | 116.2° | 114.8° |
| C14 | C15 | N11 | H15B | 116.2° | 114.7° |
| C15 | C14 | C16 | H14 | 126.1° | 133.0° |
| C15 | C14 | C16 | C17 | 116.0° | 146.1° |
| C15 | C14 | C16 | N20 | 66.5° | 33.8° |
| C15 | C14 | C13 | H13A | 119.8° | 140.9° |
| C15 | C14 | C13 | H13B | 112.6° | 88.7° |
| C14 | C15 | H15A | H15B | 130.2° | 130.9° |
| N11 | C15 | C14 | C16 | 128.1° | 139.7° |
| C15 | N11 | C13 | H13A | 120.0° | 141.8° |
| C15 | N11 | C13 | H13B | 112.3° | 87.7° |
| N11 | C15 | C14 | H14 | 105.4° | 87.6° |
| N11 | C15 | H15A | H15B | 130.1° | 130.8° |
| C14 | C16 | C17 | N20 | 177.7° | 180.0° |
| C14 | C16 | C17 | N18 | 177.6° | 180.0° |
| C14 | C16 | N20 | C19 | 177.8° | 179.7° |
| C14 | C16 | C17 | C26 | 3.1° | 0.3° |
| C16 | C14 | C13 | H13A | 115.9° | 105.5° |
| C16 | C14 | C13 | H13B | 11.8° | 24.9° |
| C16 | C14 | C15 | H15A | 115.7° | 24.9° |
| C16 | C14 | C15 | H15B | 11.9° | 105.6° |
| C16 | C17 | N18 | C26 | 174.8° | 179.8° |
| C17 | C16 | N20 | C19 | 0.1° | 0.3° |
| C16 | C17 | N18 | C21 | 178.0° | 179.7° |
| C16 | C17 | N18 | C19 | 0.0° | 0.3° |
| C16 | C17 | C26 | O27 | 130.6° | 79.9° |
| C16 | C17 | C26 | N28 | 51.1° | 100.1° |
| C17 | C16 | C14 | H14 | 10.1° | 13.1° |
| C17 | N18 | C19 | N20 | 0.1° | 0.4° |
| N18 | C17 | C16 | N20 | 0.1° | 0.0° |
| C17 | N18 | C21 | C19 | 177.7° | 180.0° |
| C17 | N18 | C21 | C22 | 177.6° | 179.9° |
| C17 | N18 | C19 | C24 | 178.1° | 180.0° |
| N18 | C17 | C26 | O27 | 42.9° | 99.8° |
| N18 | C17 | C26 | N28 | 135.4° | 80.2° |
| C17 | N18 | C21 | H21 | 2.5° | 0.0° |
| N20 | C19 | N18 | C21 | 178.3° | 179.5° |
| N20 | C19 | C24 | C23 | 177.8° | 180.0° |
| N20 | C19 | C24 | N18 | 177.7° | 179.4° |
| N20 | C19 | C24 | H24 | 2.2° | 1.1° |
| C16 | N20 | C19 | C24 | 177.7° | 179.9° |
| C16 | N20 | C19 | N18 | 0.1° | 0.4° |
| N20 | C16 | C17 | C26 | 174.5° | 179.8° |
| N20 | C16 | C14 | H14 | 167.4° | 166.9° |
| N18 | C21 | C22 | H21 | 180.0° | 179.9° |
| N18 | C21 | C22 | C23 | 0.1° | 0.6° |
| C21 | N18 | C19 | C24 | 0.1° | 0.0° |
| N18 | C21 | C22 | F25 | 179.4° | 179.4° |
| C21 | N18 | C17 | C26 | 3.2° | 0.1° |
| C21 | C22 | C23 | F25 | 179.5° | 178.8° |
| C21 | C22 | C23 | C24 | 0.0° | 1.1° |
| C22 | C21 | N18 | C19 | 0.2° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 178.8° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C19 | 0.0° | 1.1° |
| C23 | C22 | C21 | H21 | 179.9° | 179.5° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C24 | C19 | H24 | 180.0° | 178.9° |
| C24 | C23 | C22 | F25 | 179.5° | 179.9° |
| C23 | C24 | C19 | N18 | 0.1° | 0.5° |
| C19 | C24 | C23 | H23 | 180.0° | 178.9° |
| F25 | C22 | C21 | H21 | 0.6° | 0.6° |
| F25 | C22 | C23 | H23 | 0.5° | 0.0° |
| C19 | N18 | C17 | C26 | 174.8° | 180.0° |
| C19 | N18 | C21 | H21 | 179.8° | 180.0° |
| N18 | C19 | C24 | H24 | 179.9° | 179.4° |
| C17 | C26 | O27 | N28 | 178.2° | 180.0° |
| C17 | C26 | N28 | C29 | 158.7° | 5.2° |
| C17 | C26 | N28 | C33 | 26.7° | 174.8° |
| O27 | C26 | N28 | C29 | 23.1° | 174.8° |
| O27 | C26 | N28 | C33 | 151.6° | 5.2° |
| C26 | N28 | C29 | C33 | 175.2° | 180.0° |
| C26 | N28 | C29 | C30 | 138.2° | 126.0° |
| C26 | N28 | C33 | C32 | 176.0° | 132.0° |
| C26 | N28 | C29 | H29A | 101.6° | 114.2° |
| C26 | N28 | C29 | H29B | 18.0° | 6.0° |
| C26 | N28 | C33 | H33A | 54.7° | 12.4° |
| C26 | N28 | C33 | H33B | 62.7° | 108.5° |
| N28 | C29 | C30 | H29A | 120.2° | 119.8° |
| N28 | C29 | C30 | H29B | 120.1° | 120.0° |
| N28 | C29 | C30 | N31 | 70.3° | 56.9° |
| C29 | N28 | C33 | C32 | 9.1° | 48.0° |
| N28 | C29 | H29A | H29B | 119.4° | 120.3° |
| N28 | C29 | C30 | H30A | 169.6° | 63.2° |
| N28 | C29 | C30 | H30B | 49.7° | 176.9° |
| C29 | N28 | C33 | H33A | 130.4° | 167.6° |
| C29 | N28 | C33 | H33B | 112.2° | 71.5° |
| C29 | C30 | N31 | H30A | 120.1° | 120.0° |
| C29 | C30 | N31 | H30B | 120.1° | 120.0° |
| C29 | C30 | N31 | C32 | 51.4° | 59.5° |
| C30 | C29 | N28 | C33 | 37.0° | 54.0° |
| C30 | C29 | H29A | H29B | 119.5° | 120.2° |
| C29 | C30 | H30A | H30B | 119.8° | 119.9° |
| C29 | C30 | N31 | H31 | 68.7° | 176.7° |
| C30 | N31 | C32 | H31 | 120.1° | 123.8° |
| C30 | N31 | C32 | C33 | 5.6° | 56.6° |
| C30 | N31 | C32 | C34 | 136.1° | 157.8° |
| C30 | N31 | C32 | C35 | 157.7° | 88.8° |
| N31 | C30 | C29 | H29A | 49.9° | 62.9° |
| N31 | C30 | C29 | H29B | 169.5° | 176.9° |
| N31 | C30 | H30A | H30B | 119.8° | 119.9° |
| N31 | C32 | C33 | C34 | 139.7° | 145.7° |
| N31 | C32 | C33 | C35 | 151.5° | 145.5° |
| N31 | C32 | C33 | N28 | 26.0° | 47.9° |
| N31 | C32 | C34 | C35 | 109.0° | 107.8° |
| C32 | N31 | C30 | H30A | 171.5° | 60.5° |
| C32 | N31 | C30 | H30B | 68.7° | 179.5° |
| N31 | C32 | C33 | H33A | 147.3° | 167.4° |
| N31 | C32 | C33 | H33B | 95.3° | 71.7° |
| N31 | C32 | C34 | H34A | 0.5° | 0.3° |
| N31 | C32 | C34 | H34B | 141.5° | 144.8° |
| N31 | C32 | C35 | H35A | 8.2° | 144.6° |
| N31 | C32 | C35 | H35B | 149.2° | 0.4° |
| C32 | C33 | N28 | H33A | 121.3° | 119.6° |
| C32 | C33 | N28 | H33B | 121.3° | 119.6° |
| C33 | C32 | C34 | C35 | 109.0° | 107.6° |
| C32 | C33 | H33A | H33B | 115.8° | 120.9° |
| C33 | C32 | C34 | H34A | 141.5° | 144.9° |
| C33 | C32 | C34 | H34B | 0.5° | 0.1° |
| C33 | C32 | C35 | H35A | 143.7° | 0.2° |
| C33 | C32 | C35 | H35B | 2.7° | 144.9° |
| C33 | C32 | N31 | H31 | 114.4° | 179.6° |
| N28 | C33 | C32 | C34 | 165.7° | 166.4° |
| N28 | C33 | C32 | C35 | 125.5° | 97.6° |
| C33 | N28 | C29 | H29A | 83.2° | 65.8° |
| C33 | N28 | C29 | H29B | 157.2° | 174.0° |
| N28 | C33 | H33A | H33B | 115.8° | 120.8° |
| C32 | C34 | C35 | H34A | 109.5° | 107.5° |
| C32 | C34 | C35 | H34B | 109.5° | 107.5° |
| C34 | C32 | C33 | H33A | 73.0° | 46.9° |
| C34 | C32 | C33 | H33B | 44.4° | 74.0° |
| C32 | C34 | H34A | H34B | 144.7° | 145.7° |
| C34 | C32 | C35 | H35A | 109.5° | 107.5° |
| C34 | C32 | C35 | H35B | 109.5° | 107.5° |
| C34 | C32 | N31 | H31 | 103.9° | 34.0° |
| C35 | C34 | H34A | H34B | 144.7° | 145.7° |
| C34 | C35 | H35A | H35B | 144.7° | 145.7° |
| C35 | C32 | C33 | H33A | 4.3° | 22.0° |
| C35 | C32 | C33 | H33B | 113.2° | 142.9° |
| C32 | C35 | H35A | H35B | 144.7° | 145.7° |
| C35 | C32 | N31 | H31 | 37.7° | 35.0° |
| H13A | C13 | C14 | H14 | 10.8° | 27.2° |
| H13B | C13 | C14 | H14 | 138.4° | 157.6° |
| H14 | C14 | C15 | H15A | 10.8° | 157.6° |
| H14 | C14 | C15 | H15B | 138.4° | 27.1° |
| H1 | C1 | C2 | H2 | 0.0° | 0.1° |
| H1 | C1 | C6 | H6 | 0.0° | 0.1° |
| H12A | C12 | H12B | H12C | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| H29A | C29 | C30 | H30A | 70.2° | 177.0° |
| H29A | C29 | C30 | H30B | 169.9° | 57.1° |
| H29B | C29 | C30 | H30A | 49.5° | 56.8° |
| H29B | C29 | C30 | H30B | 70.4° | 63.1° |
| H30A | C30 | N31 | H31 | 51.4° | 63.2° |
| H30B | C30 | N31 | H31 | 171.2° | 56.7° |
| H34A | C34 | C35 | H35A | 0.0° | 145.0° |
| H34A | C34 | C35 | H35B | 141.0° | 0.0° |
| H34B | C34 | C35 | H35A | 141.0° | 0.0° |
| H34B | C34 | C35 | H35B | 0.0° | 145.0° |
