YOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F51 | C50 | sing | 1.35Å | 1.37Å | |
| F31 | C30 | sing | 1.35Å | 1.38Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C49 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| N01 | S02 | sing | 1.66Å | 1.72Å | |
| C30 | C32 | sing | 1.40Å | 1.43Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| O03 | S02 | doub | 1.42Å | 1.46Å | |
| C05 | S02 | sing | 1.76Å | 1.83Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| S02 | O04 | doub | 1.42Å | 1.47Å | |
| C09 | C10 | sing | 1.51Å | 1.56Å | |
| C32 | C33 | sing | 1.48Å | 1.43Å | |
| C32 | C48 | doub | 1.39Å | 1.40Å | Aromatic |
| C47 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C48 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.48Å | 1.42Å | |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C46 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C26 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.44Å | Aromatic |
| C26 | N25 | doub | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.56Å | |
| C11 | N16 | sing | 1.36Å | 1.34Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | O37 | sing | 1.36Å | 1.43Å | |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| N25 | N16 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| O37 | C38 | sing | 1.35Å | 1.41Å | |
| O45 | C43 | doub | 1.22Å | 1.30Å | |
| N16 | C17 | sing | 1.39Å | 1.34Å | |
| C17 | N18 | doub | 1.29Å | 1.33Å | Aromatic |
| C17 | S24 | sing | 1.76Å | 1.73Å | Aromatic |
| N18 | C19 | sing | 1.34Å | 1.34Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C43 | C42 | sing | 1.47Å | 1.50Å | |
| C43 | O44 | sing | 1.35Å | 1.29Å | |
| C38 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| C38 | N39 | sing | 1.35Å | 1.33Å | Aromatic |
| O22 | C20 | doub | 1.22Å | 1.27Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C42 | N41 | sing | 1.35Å | 1.30Å | Aromatic |
| C19 | C20 | sing | 1.47Å | 1.53Å | |
| C19 | C23 | doub | 1.35Å | 1.38Å | Aromatic |
| N39 | N40 | sing | 1.40Å | 1.35Å | Aromatic |
| C20 | O21 | sing | 1.35Å | 1.27Å | |
| S24 | C23 | sing | 1.71Å | 1.72Å | Aromatic |
| N41 | N40 | doub | 1.29Å | 1.36Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O21 | H15 | sing | 0.97Å | 0.95Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| N39 | H20 | sing | 0.97Å | 1.00Å | |
| O44 | H21 | sing | 0.97Å | 0.95Å | |
| C46 | H22 | sing | 1.08Å | 1.08Å | |
| C47 | H23 | sing | 1.08Å | 1.08Å | |
| C48 | H24 | sing | 1.08Å | 1.08Å | |
| C49 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F51 | C50 | C49 | 117.1° | 120.0° |
| F51 | C50 | C05 | 123.9° | 120.1° |
| F31 | C30 | C29 | 115.3° | 120.0° |
| F31 | C30 | C32 | 124.3° | 119.9° |
| C30 | C29 | C28 | 120.6° | 120.2° |
| C29 | C30 | C32 | 120.4° | 120.1° |
| C30 | C29 | H17 | 119.7° | 119.9° |
| C29 | C28 | C27 | 119.3° | 120.2° |
| C29 | C28 | H4 | 120.4° | 119.9° |
| C28 | C29 | H17 | 119.7° | 119.9° |
| C49 | C50 | C05 | 119.0° | 119.9° |
| C50 | C49 | C08 | 118.1° | 120.0° |
| C50 | C49 | H25 | 120.9° | 120.0° |
| C50 | C05 | S02 | 124.3° | 120.0° |
| C50 | C05 | C06 | 121.2° | 120.0° |
| C49 | C08 | C09 | 119.4° | 120.0° |
| C49 | C08 | C07 | 123.5° | 120.0° |
| C08 | C49 | H25 | 120.9° | 120.0° |
| N01 | S02 | O03 | 111.3° | 106.4° |
| N01 | S02 | C05 | 110.9° | 107.2° |
| N01 | S02 | O04 | 113.0° | 106.4° |
| S02 | N01 | H5 | 109.5° | 120.0° |
| S02 | N01 | H6 | 109.4° | 120.0° |
| C30 | C32 | C33 | 124.3° | 120.1° |
| C30 | C32 | C48 | 118.0° | 119.8° |
| C28 | C27 | C48 | 121.0° | 119.9° |
| C28 | C27 | C26 | 119.8° | 120.1° |
| C27 | C28 | H4 | 120.4° | 119.9° |
| O03 | S02 | C05 | 111.1° | 106.4° |
| O03 | S02 | O04 | 99.7° | 123.2° |
| S02 | C05 | C06 | 114.6° | 120.0° |
| C05 | S02 | O04 | 110.4° | 106.4° |
| C05 | C06 | C07 | 119.3° | 120.0° |
| C05 | C06 | H7 | 120.3° | 120.0° |
| C09 | C08 | C07 | 117.0° | 120.0° |
| C08 | C09 | C10 | 109.6° | 109.5° |
| C08 | C09 | H9 | 109.4° | 109.5° |
| C08 | C09 | H10 | 109.4° | 109.5° |
| C08 | C07 | C06 | 118.8° | 120.1° |
| C08 | C07 | H8 | 120.6° | 120.0° |
| C09 | C10 | C26 | 113.6° | 126.0° |
| C09 | C10 | C11 | 139.6° | 126.0° |
| C10 | C09 | H9 | 109.4° | 109.5° |
| C10 | C09 | H10 | 109.4° | 109.5° |
| C33 | C32 | C48 | 117.7° | 120.1° |
| C32 | C33 | C47 | 120.8° | 120.0° |
| C32 | C33 | C34 | 121.3° | 120.1° |
| C32 | C48 | C27 | 120.8° | 119.8° |
| C32 | C48 | H24 | 119.6° | 120.1° |
| C33 | C47 | C46 | 122.1° | 119.9° |
| C47 | C33 | C34 | 117.8° | 119.9° |
| C33 | C47 | H23 | 119.0° | 120.0° |
| C47 | C46 | C36 | 120.5° | 120.1° |
| C47 | C46 | H22 | 119.8° | 119.9° |
| C46 | C47 | H23 | 119.0° | 120.1° |
| C48 | C27 | C26 | 119.2° | 120.0° |
| C27 | C48 | H24 | 119.6° | 120.1° |
| C27 | C26 | C10 | 126.3° | 126.0° |
| C27 | C26 | N25 | 125.7° | 125.9° |
| C33 | C34 | C35 | 120.8° | 120.0° |
| C33 | C34 | H18 | 119.6° | 120.0° |
| C46 | C36 | O37 | 116.7° | 119.9° |
| C46 | C36 | C35 | 117.9° | 120.1° |
| C36 | C46 | H22 | 119.7° | 120.0° |
| C07 | C06 | H7 | 120.4° | 120.0° |
| C06 | C07 | H8 | 120.6° | 120.0° |
| C26 | C10 | C11 | 106.8° | 107.9° |
| C10 | C26 | N25 | 108.0° | 108.1° |
| C10 | C11 | C12 | 134.6° | 126.1° |
| C10 | C11 | N16 | 105.7° | 107.8° |
| C26 | N25 | N16 | 110.1° | 108.1° |
| C12 | C11 | N16 | 119.7° | 126.1° |
| C11 | C12 | C13 | 105.9° | 109.5° |
| C11 | C12 | H11 | 110.3° | 109.5° |
| C11 | C12 | H12 | 110.4° | 109.5° |
| C11 | N16 | N25 | 109.4° | 108.0° |
| C11 | N16 | C17 | 132.0° | 126.0° |
| C34 | C35 | C36 | 120.9° | 120.1° |
| C35 | C34 | H18 | 119.6° | 120.0° |
| C34 | C35 | H19 | 119.6° | 120.0° |
| O37 | C36 | C35 | 125.4° | 120.0° |
| C36 | O37 | C38 | 117.1° | 117.9° |
| C36 | C35 | H19 | 119.6° | 120.0° |
| N25 | N16 | C17 | 118.4° | 126.0° |
| C12 | C13 | C15 | 116.0° | 117.5° |
| C12 | C13 | C14 | 119.1° | 117.5° |
| C12 | C13 | H1 | 116.5° | 115.5° |
| C13 | C12 | H11 | 110.4° | 109.5° |
| C13 | C12 | H12 | 110.4° | 109.5° |
| O37 | C38 | C42 | 123.6° | 126.8° |
| O37 | C38 | N39 | 128.8° | 126.8° |
| O45 | C43 | C42 | 119.7° | 120.0° |
| O45 | C43 | O44 | 121.4° | 120.0° |
| N16 | C17 | N18 | 132.0° | 125.2° |
| N16 | C17 | S24 | 121.4° | 125.3° |
| N18 | C17 | S24 | 106.6° | 109.5° |
| C17 | N18 | C19 | 116.2° | 115.7° |
| C17 | S24 | C23 | 95.6° | 90.7° |
| N18 | C19 | C20 | 125.0° | 122.5° |
| N18 | C19 | C23 | 117.0° | 115.0° |
| C15 | C13 | C14 | 59.4° | 60.0° |
| C13 | C15 | C14 | 60.5° | 60.0° |
| C15 | C13 | H1 | 116.9° | 117.5° |
| C13 | C15 | H2 | 119.9° | 117.5° |
| C13 | C15 | H3 | 119.9° | 117.5° |
| C13 | C14 | C15 | 60.1° | 60.0° |
| C14 | C13 | H1 | 116.8° | 117.5° |
| C13 | C14 | H13 | 120.0° | 117.5° |
| C13 | C14 | H14 | 120.0° | 117.5° |
| C42 | C43 | O44 | 118.9° | 120.0° |
| C43 | C42 | C38 | 125.4° | 126.0° |
| C43 | C42 | N41 | 126.7° | 126.0° |
| C43 | O44 | H21 | 109.5° | 116.9° |
| C42 | C38 | N39 | 107.6° | 106.4° |
| C38 | C42 | N41 | 107.8° | 108.0° |
| C38 | N39 | N40 | 108.3° | 106.9° |
| C38 | N39 | H20 | 125.8° | 126.5° |
| O22 | C20 | C19 | 119.8° | 120.0° |
| O22 | C20 | O21 | 122.7° | 120.1° |
| C14 | C15 | H2 | 119.9° | 117.5° |
| C14 | C15 | H3 | 119.9° | 117.5° |
| C15 | C14 | H13 | 120.0° | 117.5° |
| C15 | C14 | H14 | 120.0° | 117.5° |
| C42 | N41 | N40 | 109.6° | 109.8° |
| C20 | C19 | C23 | 118.0° | 122.5° |
| C19 | C20 | O21 | 117.5° | 120.0° |
| C19 | C23 | S24 | 104.6° | 109.1° |
| C19 | C23 | H16 | 127.7° | 125.5° |
| N39 | N40 | N41 | 106.7° | 108.8° |
| N40 | N39 | H20 | 125.9° | 126.5° |
| C20 | O21 | H15 | 109.5° | 116.9° |
| S24 | C23 | H16 | 127.7° | 125.4° |
| H2 | C15 | H3 | 109.5° | 115.5° |
| H5 | N01 | H6 | 109.5° | 120.0° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F51 | C50 | C49 | C05 | 179.9° | 179.5° |
| F51 | C50 | C49 | C08 | 180.0° | 180.0° |
| F51 | C50 | C05 | S02 | 0.1° | 0.3° |
| F51 | C50 | C05 | C06 | 179.6° | 180.0° |
| F51 | C50 | C49 | H25 | 0.0° | 0.3° |
| F31 | C30 | C29 | C32 | 179.7° | 180.0° |
| F31 | C30 | C29 | C28 | 179.6° | 180.0° |
| F31 | C30 | C32 | C33 | 0.6° | 0.0° |
| F31 | C30 | C32 | C48 | 179.5° | 179.8° |
| F31 | C30 | C29 | H17 | 0.4° | 0.0° |
| C30 | C29 | C28 | H17 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.5° | 0.0° |
| C29 | C30 | C32 | C33 | 179.1° | 180.0° |
| C29 | C30 | C32 | C48 | 0.8° | 0.2° |
| C30 | C29 | C28 | H4 | 179.5° | 179.7° |
| C28 | C29 | C30 | C32 | 0.7° | 0.0° |
| C29 | C28 | C27 | H4 | 180.0° | 179.7° |
| C29 | C28 | C27 | C48 | 0.4° | 0.3° |
| C29 | C28 | C27 | C26 | 178.5° | 179.8° |
| C50 | C49 | C08 | H25 | 180.0° | 179.7° |
| C49 | C50 | C05 | S02 | 179.8° | 179.7° |
| C49 | C50 | C05 | C06 | 0.3° | 0.5° |
| C50 | C49 | C08 | C09 | 179.8° | 179.7° |
| C50 | C49 | C08 | C07 | 0.4° | 0.3° |
| C05 | C50 | C49 | C08 | 0.0° | 0.6° |
| C50 | C05 | S02 | N01 | 60.3° | 65.3° |
| C50 | C05 | S02 | O03 | 64.0° | 178.8° |
| C50 | C05 | S02 | C06 | 179.6° | 179.7° |
| C50 | C05 | S02 | O04 | 173.6° | 48.3° |
| C50 | C05 | C06 | C07 | 1.0° | 0.3° |
| C50 | C05 | C06 | H7 | 178.9° | 179.7° |
| C05 | C50 | C49 | H25 | 180.0° | 179.7° |
| C49 | C08 | C09 | C07 | 179.9° | 180.0° |
| C49 | C08 | C09 | C10 | 126.4° | 99.6° |
| C49 | C08 | C07 | C06 | 1.1° | 0.0° |
| C49 | C08 | C07 | H8 | 178.9° | 180.0° |
| C49 | C08 | C09 | H9 | 113.5° | 140.4° |
| C49 | C08 | C09 | H10 | 6.4° | 20.4° |
| N01 | S02 | O03 | C05 | 124.1° | 114.1° |
| N01 | S02 | O03 | O04 | 119.5° | 122.9° |
| N01 | S02 | C05 | O04 | 126.0° | 113.5° |
| N01 | S02 | C05 | C06 | 120.1° | 115.0° |
| S02 | N01 | H5 | H6 | 120.0° | 179.9° |
| C30 | C32 | C33 | C48 | 179.9° | 179.7° |
| C30 | C32 | C33 | C47 | 69.1° | 129.7° |
| C30 | C32 | C48 | C27 | 0.7° | 0.5° |
| C30 | C32 | C33 | C34 | 110.4° | 50.0° |
| C32 | C30 | C29 | H17 | 179.3° | 180.0° |
| C30 | C32 | C48 | H24 | 179.3° | 180.0° |
| C28 | C27 | C48 | C32 | 0.6° | 0.5° |
| C28 | C27 | C48 | C26 | 178.9° | 180.0° |
| C28 | C27 | C26 | C10 | 88.2° | 45.2° |
| C28 | C27 | C26 | N25 | 92.1° | 134.8° |
| C27 | C28 | C29 | H17 | 179.5° | 180.0° |
| C28 | C27 | C48 | H24 | 179.4° | 180.0° |
| O03 | S02 | C05 | O04 | 109.6° | 133.0° |
| O03 | S02 | C05 | C06 | 115.5° | 1.5° |
| O03 | S02 | N01 | H5 | 180.0° | 23.6° |
| O03 | S02 | N01 | H6 | 60.0° | 156.5° |
| S02 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | S02 | N01 | H5 | 55.8° | 90.0° |
| C05 | S02 | N01 | H6 | 175.8° | 89.9° |
| S02 | C05 | C06 | H7 | 0.6° | 0.0° |
| C05 | C06 | C07 | C08 | 1.4° | 0.0° |
| C06 | C05 | S02 | O04 | 5.9° | 131.5° |
| C05 | C06 | C07 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | H8 | 178.6° | 180.0° |
| C08 | C09 | C10 | H9 | 120.0° | 120.0° |
| C08 | C09 | C10 | H10 | 120.0° | 120.0° |
| C09 | C08 | C07 | C06 | 179.1° | 180.0° |
| C08 | C09 | C10 | C26 | 179.6° | 82.6° |
| C08 | C09 | C10 | C11 | 0.1° | 97.7° |
| C09 | C08 | C07 | H8 | 1.0° | 0.0° |
| C08 | C09 | H9 | H10 | 119.9° | 120.0° |
| C09 | C08 | C49 | H25 | 0.2° | 0.0° |
| C07 | C08 | C09 | C10 | 53.7° | 80.4° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | H7 | 178.6° | 180.0° |
| C07 | C08 | C09 | H9 | 66.3° | 39.7° |
| C07 | C08 | C09 | H10 | 173.7° | 159.6° |
| C07 | C08 | C49 | H25 | 179.7° | 180.0° |
| O04 | S02 | N01 | H5 | 68.8° | 156.5° |
| O04 | S02 | N01 | H6 | 51.2° | 23.6° |
| C09 | C10 | C26 | C27 | 0.2° | 0.3° |
| C09 | C10 | C26 | C11 | 179.7° | 179.7° |
| C09 | C10 | C26 | N25 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 1.6° | 0.3° |
| C09 | C10 | C11 | N16 | 179.0° | 179.7° |
| C10 | C09 | H9 | H10 | 119.9° | 120.0° |
| C32 | C33 | C47 | C34 | 179.5° | 179.7° |
| C32 | C33 | C47 | C46 | 179.6° | 179.8° |
| C33 | C32 | C48 | C27 | 179.2° | 179.7° |
| C32 | C33 | C34 | C35 | 179.0° | 180.0° |
| C32 | C33 | C34 | H18 | 1.0° | 0.1° |
| C32 | C33 | C47 | H23 | 0.4° | 0.1° |
| C33 | C32 | C48 | H24 | 0.9° | 0.3° |
| C48 | C32 | C33 | C47 | 111.0° | 50.0° |
| C32 | C48 | C27 | H24 | 180.0° | 179.5° |
| C32 | C48 | C27 | C26 | 178.3° | 179.5° |
| C48 | C32 | C33 | C34 | 69.5° | 130.3° |
| C33 | C47 | C46 | H23 | 180.0° | 179.7° |
| C33 | C47 | C46 | C36 | 1.0° | 0.5° |
| C47 | C33 | C34 | C35 | 0.5° | 0.3° |
| C47 | C33 | C34 | H18 | 179.5° | 179.8° |
| C33 | C47 | C46 | H22 | 179.0° | 179.7° |
| C46 | C47 | C33 | C34 | 0.9° | 0.5° |
| C47 | C46 | C36 | H22 | 180.0° | 179.9° |
| C47 | C46 | C36 | O37 | 179.0° | 179.7° |
| C47 | C46 | C36 | C35 | 0.4° | 0.2° |
| C48 | C27 | C26 | C10 | 92.9° | 134.8° |
| C48 | C27 | C26 | N25 | 86.8° | 45.2° |
| C48 | C27 | C28 | H4 | 179.6° | 180.0° |
| C27 | C26 | C10 | N25 | 179.8° | 180.0° |
| C27 | C26 | C10 | C11 | 179.9° | 180.0° |
| C27 | C26 | N25 | N16 | 179.2° | 180.0° |
| C26 | C27 | C28 | H4 | 1.5° | 0.1° |
| C26 | C27 | C48 | H24 | 1.7° | 0.0° |
| C33 | C34 | C35 | H18 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 2.0° | 0.0° |
| C33 | C34 | C35 | H19 | 178.0° | 180.0° |
| C34 | C33 | C47 | H23 | 179.1° | 179.7° |
| C46 | C36 | C35 | C34 | 1.9° | 0.1° |
| C46 | C36 | O37 | C35 | 178.4° | 179.9° |
| C46 | C36 | O37 | C38 | 140.6° | 75.4° |
| C46 | C36 | C35 | H19 | 178.1° | 180.0° |
| C36 | C46 | C47 | H23 | 179.0° | 179.8° |
| C26 | C10 | C11 | C12 | 178.8° | 180.0° |
| C26 | C10 | C11 | N16 | 0.5° | 0.1° |
| C10 | C26 | N25 | N16 | 1.1° | 0.0° |
| C26 | C10 | C09 | H9 | 60.4° | 37.3° |
| C26 | C10 | C09 | H10 | 59.5° | 157.3° |
| C11 | C10 | C26 | N25 | 0.3° | 0.0° |
| C10 | C11 | C12 | N16 | 179.3° | 179.9° |
| C10 | C11 | N16 | N25 | 1.1° | 0.1° |
| C10 | C11 | C12 | C13 | 103.8° | 97.9° |
| C10 | C11 | N16 | C17 | 176.9° | 180.0° |
| C11 | C10 | C09 | H9 | 120.1° | 142.3° |
| C11 | C10 | C09 | H10 | 120.0° | 22.3° |
| C10 | C11 | C12 | H11 | 136.8° | 142.1° |
| C10 | C11 | C12 | H12 | 15.7° | 22.1° |
| C26 | N25 | N16 | C11 | 1.4° | 0.1° |
| C26 | N25 | N16 | C17 | 177.9° | 180.0° |
| C12 | C11 | N16 | N25 | 178.3° | 180.0° |
| C11 | C12 | C13 | H11 | 119.4° | 120.1° |
| C11 | C12 | C13 | H12 | 119.5° | 120.0° |
| C12 | C11 | N16 | C17 | 2.5° | 0.1° |
| C11 | C12 | C13 | C15 | 162.9° | 169.6° |
| C11 | C12 | C13 | C14 | 95.0° | 121.7° |
| C11 | C12 | C13 | H1 | 53.5° | 24.0° |
| C11 | C12 | H11 | H12 | 121.6° | 120.0° |
| C11 | N16 | N25 | C17 | 176.4° | 179.9° |
| N16 | C11 | C12 | C13 | 75.5° | 82.0° |
| C11 | N16 | C17 | N18 | 77.8° | 180.0° |
| C11 | N16 | C17 | S24 | 105.4° | 0.4° |
| N16 | C11 | C12 | H11 | 44.0° | 38.0° |
| N16 | C11 | C12 | H12 | 165.1° | 157.9° |
| C34 | C35 | C36 | O37 | 179.7° | 180.0° |
| C34 | C35 | C36 | H19 | 180.0° | 180.0° |
| C36 | O37 | C38 | C42 | 166.6° | 174.9° |
| C36 | O37 | C38 | N39 | 15.3° | 5.5° |
| O37 | C36 | C35 | H19 | 0.3° | 0.1° |
| O37 | C36 | C46 | H22 | 1.0° | 0.1° |
| C35 | C36 | O37 | C38 | 41.0° | 104.7° |
| C36 | C35 | C34 | H18 | 178.0° | 179.9° |
| C35 | C36 | C46 | H22 | 179.6° | 180.0° |
| N25 | N16 | C17 | N18 | 106.7° | 0.1° |
| N25 | N16 | C17 | S24 | 70.1° | 179.7° |
| C12 | C13 | C15 | C14 | 109.8° | 107.5° |
| C12 | C13 | C15 | H1 | 143.5° | 145.0° |
| C12 | C13 | C14 | H1 | 148.4° | 145.0° |
| C12 | C13 | C15 | H2 | 0.3° | 0.0° |
| C12 | C13 | C15 | H3 | 140.6° | 145.1° |
| C13 | C12 | H11 | H12 | 121.7° | 120.0° |
| C12 | C13 | C14 | H13 | 145.8° | 145.0° |
| C12 | C13 | C14 | H14 | 4.8° | 0.0° |
| O37 | C38 | C42 | C43 | 0.2° | 0.1° |
| O37 | C38 | C42 | N39 | 178.4° | 179.7° |
| O37 | C38 | C42 | N41 | 177.7° | 179.9° |
| O37 | C38 | N39 | N40 | 178.5° | 179.9° |
| O37 | C38 | N39 | H20 | 1.5° | 0.1° |
| O45 | C43 | C42 | O44 | 179.9° | 180.0° |
| O45 | C43 | C42 | C38 | 1.2° | 0.1° |
| O45 | C43 | C42 | N41 | 176.0° | 179.9° |
| O45 | C43 | O44 | H21 | 0.0° | 0.0° |
| N16 | C17 | N18 | S24 | 177.1° | 179.7° |
| N16 | C17 | N18 | C19 | 178.0° | 179.7° |
| N16 | C17 | S24 | C23 | 178.1° | 179.7° |
| C17 | N18 | C19 | C20 | 179.2° | 180.0° |
| C17 | N18 | C19 | C23 | 0.8° | 0.0° |
| N18 | C17 | S24 | C23 | 0.6° | 0.0° |
| S24 | C17 | N18 | C19 | 0.8° | 0.0° |
| C17 | S24 | C23 | C19 | 0.1° | 0.0° |
| C17 | S24 | C23 | H16 | 179.9° | 180.0° |
| N18 | C19 | C20 | O22 | 38.3° | 180.0° |
| N18 | C19 | C20 | C23 | 180.0° | 179.9° |
| N18 | C19 | C20 | O21 | 143.1° | 0.0° |
| N18 | C19 | C23 | S24 | 0.3° | 0.0° |
| N18 | C19 | C23 | H16 | 179.7° | 180.0° |
| C15 | C13 | C14 | H1 | 106.9° | 107.5° |
| C13 | C15 | C14 | H2 | 109.6° | 107.5° |
| C13 | C15 | C14 | H3 | 109.6° | 107.5° |
| C13 | C15 | H2 | H3 | 144.5° | 145.8° |
| C15 | C13 | C12 | H11 | 43.4° | 49.6° |
| C15 | C13 | C12 | H12 | 77.7° | 70.4° |
| C15 | C13 | C14 | H13 | 109.5° | 107.5° |
| C15 | C13 | C14 | H14 | 109.5° | 107.5° |
| C14 | C13 | C12 | H11 | 24.4° | 118.2° |
| C14 | C13 | C12 | H12 | 145.6° | 1.7° |
| C13 | C14 | H13 | H14 | 144.7° | 145.7° |
| C43 | C42 | C38 | N41 | 177.6° | 179.8° |
| C43 | C42 | C38 | N39 | 178.2° | 179.7° |
| C43 | C42 | N41 | N40 | 178.8° | 179.8° |
| C42 | C43 | O44 | H21 | 179.9° | 180.0° |
| O44 | C43 | C42 | C38 | 179.0° | 180.0° |
| O44 | C43 | C42 | N41 | 3.9° | 0.2° |
| C42 | C38 | N39 | N40 | 0.2° | 0.3° |
| C38 | C42 | N41 | N40 | 1.3° | 0.4° |
| C42 | C38 | N39 | H20 | 179.8° | 179.8° |
| N39 | C38 | C42 | N41 | 0.7° | 0.4° |
| C38 | N39 | N40 | H20 | 180.0° | 179.9° |
| C38 | N39 | N40 | N41 | 1.0° | 0.0° |
| O22 | C20 | C19 | O21 | 178.7° | 179.9° |
| O22 | C20 | C19 | C23 | 141.7° | 0.1° |
| O22 | C20 | O21 | H15 | 0.0° | 0.0° |
| C14 | C15 | H2 | H3 | 144.4° | 145.6° |
| C15 | C14 | H13 | H14 | 144.7° | 145.7° |
| C42 | N41 | N40 | N39 | 1.4° | 0.2° |
| C20 | C19 | C23 | S24 | 179.7° | 180.0° |
| C19 | C20 | O21 | H15 | 178.6° | 180.0° |
| C20 | C19 | C23 | H16 | 0.3° | 0.1° |
| C23 | C19 | C20 | O21 | 36.9° | 180.0° |
| C19 | C23 | S24 | H16 | 180.0° | 179.9° |
| N41 | N40 | N39 | H20 | 179.1° | 180.0° |
| H1 | C13 | C15 | H2 | 143.7° | 145.0° |
| H1 | C13 | C15 | H3 | 2.9° | 0.1° |
| H1 | C13 | C12 | H11 | 172.9° | 96.1° |
| H1 | C13 | C12 | H12 | 65.9° | 144.0° |
| H1 | C13 | C14 | H13 | 2.6° | 0.0° |
| H1 | C13 | C14 | H14 | 143.6° | 145.0° |
| H2 | C15 | C14 | H13 | 140.9° | 145.0° |
| H2 | C15 | C14 | H14 | 0.1° | 0.1° |
| H3 | C15 | C14 | H13 | 0.1° | 0.1° |
| H3 | C15 | C14 | H14 | 140.9° | 145.0° |
| H4 | C28 | C29 | H17 | 0.5° | 0.3° |
| H7 | C06 | C07 | H8 | 1.4° | 0.0° |
| H18 | C34 | C35 | H19 | 2.0° | 0.0° |
| H22 | C46 | C47 | H23 | 1.0° | 0.1° |
