12X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.21Å | 1.23Å | |
| N16 | C15 | sing | 1.49Å | 1.47Å | |
| N16 | C12 | sing | 1.48Å | 1.47Å | |
| C15 | C14 | sing | 1.54Å | 1.51Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C14 | C13 | sing | 1.54Å | 1.55Å | |
| C14 | O33 | sing | 1.43Å | 1.45Å | |
| O33 | C34 | sing | 1.36Å | 1.39Å | |
| C40 | C39 | doub | 1.40Å | 1.51Å | Aromatic |
| C40 | C41 | sing | 1.36Å | 1.48Å | Aromatic |
| C34 | C35 | doub | 1.37Å | 1.47Å | Aromatic |
| C34 | C39 | sing | 1.41Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.42Å | 1.50Å | Aromatic |
| C41 | C42 | doub | 1.40Å | 1.36Å | Aromatic |
| C36 | N37 | doub | 1.32Å | 1.39Å | Aromatic |
| C36 | C47 | sing | 1.48Å | 1.42Å | |
| N51 | C47 | sing | 1.33Å | 1.38Å | Aromatic |
| N51 | C50 | doub | 1.30Å | 1.33Å | Aromatic |
| C38 | N37 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | C43 | doub | 1.40Å | 1.36Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.48Å | Aromatic |
| C42 | O45 | sing | 1.36Å | 1.40Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C46 | O45 | sing | 1.43Å | 1.45Å | |
| N52 | C50 | sing | 1.39Å | 1.38Å | |
| N52 | C53 | sing | 1.35Å | 1.38Å | |
| C55 | C53 | sing | 1.51Å | 1.56Å | |
| C55 | C57 | sing | 1.53Å | 1.55Å | |
| C47 | C48 | doub | 1.35Å | 1.39Å | Aromatic |
| C43 | BR44 | sing | 1.89Å | 1.91Å | |
| C50 | S49 | sing | 1.76Å | 1.71Å | Aromatic |
| C53 | O54 | doub | 1.21Å | 1.22Å | |
| C48 | S49 | sing | 1.76Å | 1.71Å | Aromatic |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H37 | sing | 1.08Å | 1.08Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C48 | H41 | sing | 1.08Å | 1.08Å | |
| N52 | H42 | sing | 0.97Å | 1.00Å | |
| C55 | H43 | sing | 1.09Å | 1.10Å | |
| C56 | H44 | sing | 1.09Å | 1.10Å | |
| C56 | H45 | sing | 1.09Å | 1.10Å | |
| C56 | H46 | sing | 1.09Å | 1.10Å | |
| C57 | H47 | sing | 1.09Å | 1.10Å | |
| C57 | H48 | sing | 1.09Å | 1.10Å | |
| C57 | H49 | sing | 1.09Å | 1.10Å | |
| N16 | H2 | sing | 1.01Å | 1.00Å | |
| C10 | OXT | sing | 1.34Å | 62.62Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C12 | 122.5° | 120.0° |
| O11 | C10 | OXT | 112.7° | 120.0° |
| C15 | N16 | C12 | 110.7° | 104.3° |
| N16 | C15 | C14 | 102.8° | 104.6° |
| N16 | C15 | H13 | 111.1° | 110.4° |
| N16 | C15 | H14 | 111.1° | 110.5° |
| C15 | N16 | H2 | 109.2° | 111.0° |
| N16 | C12 | C10 | 111.0° | 110.4° |
| N16 | C12 | C13 | 103.5° | 104.6° |
| N16 | C12 | H9 | 111.4° | 110.5° |
| C12 | N16 | H2 | 109.2° | 111.0° |
| C15 | C14 | C13 | 100.4° | 105.1° |
| C15 | C14 | O33 | 104.3° | 110.3° |
| C15 | C14 | H12 | 113.2° | 110.5° |
| C14 | C15 | H13 | 111.1° | 110.4° |
| C14 | C15 | H14 | 111.1° | 110.5° |
| C10 | C12 | C13 | 109.9° | 110.4° |
| C10 | C12 | H9 | 110.5° | 110.3° |
| C12 | C10 | OXT | 35.4° | 120.0° |
| C12 | C13 | C14 | 102.3° | 105.0° |
| C13 | C12 | H9 | 110.3° | 110.4° |
| C12 | C13 | H10 | 111.3° | 110.3° |
| C12 | C13 | H11 | 111.2° | 110.3° |
| C13 | C14 | O33 | 111.1° | 110.3° |
| C14 | C13 | H10 | 111.2° | 110.3° |
| C14 | C13 | H11 | 111.3° | 110.4° |
| C13 | C14 | H12 | 112.5° | 110.3° |
| C14 | O33 | C34 | 121.5° | 117.0° |
| O33 | C14 | H12 | 114.2° | 110.2° |
| O33 | C34 | C35 | 119.7° | 120.8° |
| O33 | C34 | C39 | 119.2° | 120.9° |
| C39 | C40 | C41 | 114.8° | 119.9° |
| C40 | C39 | C34 | 120.9° | 121.1° |
| C40 | C39 | C38 | 119.2° | 119.8° |
| C39 | C40 | H36 | 122.6° | 120.1° |
| C40 | C41 | C42 | 123.8° | 120.8° |
| C41 | C40 | H36 | 122.6° | 120.0° |
| C40 | C41 | H37 | 118.1° | 119.6° |
| C35 | C34 | C39 | 121.2° | 118.3° |
| C34 | C35 | C36 | 118.5° | 119.8° |
| C34 | C35 | H35 | 120.8° | 120.1° |
| C34 | C39 | C38 | 119.8° | 119.1° |
| C35 | C36 | N37 | 119.4° | 121.5° |
| C35 | C36 | C47 | 122.5° | 119.2° |
| C36 | C35 | H35 | 120.8° | 120.1° |
| C39 | C38 | N37 | 114.9° | 120.0° |
| C39 | C38 | C43 | 121.5° | 119.2° |
| C41 | C42 | C43 | 120.9° | 120.7° |
| C41 | C42 | O45 | 125.0° | 119.7° |
| C42 | C41 | H37 | 118.1° | 119.6° |
| N37 | C36 | C47 | 118.1° | 119.3° |
| C36 | N37 | C38 | 126.2° | 121.4° |
| C36 | C47 | N51 | 120.1° | 122.4° |
| C36 | C47 | C48 | 123.9° | 122.4° |
| C47 | N51 | C50 | 109.2° | 116.9° |
| N51 | C47 | C48 | 116.0° | 115.2° |
| N51 | C50 | N52 | 121.2° | 125.3° |
| N51 | C50 | S49 | 115.3° | 109.5° |
| N37 | C38 | C43 | 123.5° | 120.9° |
| C38 | C43 | C42 | 119.8° | 119.6° |
| C38 | C43 | BR44 | 120.5° | 120.2° |
| C43 | C42 | O45 | 114.1° | 119.6° |
| C42 | C43 | BR44 | 119.7° | 120.2° |
| C42 | O45 | C46 | 118.4° | 117.0° |
| C56 | C55 | C53 | 112.7° | 109.5° |
| C56 | C55 | C57 | 110.3° | 109.5° |
| C56 | C55 | H43 | 107.5° | 109.5° |
| C55 | C56 | H44 | 109.5° | 109.5° |
| C55 | C56 | H45 | 109.5° | 109.5° |
| C55 | C56 | H46 | 109.5° | 109.4° |
| O45 | C46 | H38 | 109.5° | 109.5° |
| O45 | C46 | H39 | 109.5° | 109.4° |
| O45 | C46 | H40 | 109.5° | 109.4° |
| C50 | N52 | C53 | 125.3° | 120.0° |
| N52 | C50 | S49 | 123.4° | 125.3° |
| C50 | N52 | H42 | 117.3° | 120.0° |
| N52 | C53 | C55 | 113.9° | 120.0° |
| N52 | C53 | O54 | 121.6° | 120.0° |
| C53 | N52 | H42 | 117.3° | 120.0° |
| C53 | C55 | C57 | 111.9° | 109.4° |
| C55 | C53 | O54 | 124.4° | 120.0° |
| C53 | C55 | H43 | 107.0° | 109.4° |
| C57 | C55 | H43 | 107.1° | 109.5° |
| C55 | C57 | H47 | 109.5° | 109.5° |
| C55 | C57 | H48 | 109.5° | 109.4° |
| C55 | C57 | H49 | 109.5° | 109.5° |
| C47 | C48 | S49 | 109.2° | 108.2° |
| C47 | C48 | H41 | 125.4° | 125.8° |
| C50 | S49 | C48 | 90.2° | 90.1° |
| S49 | C48 | H41 | 125.4° | 125.9° |
| H10 | C13 | H11 | 109.5° | 110.3° |
| H13 | C15 | H14 | 109.5° | 110.4° |
| H38 | C46 | H39 | 109.5° | 109.5° |
| H38 | C46 | H40 | 109.5° | 109.5° |
| H39 | C46 | H40 | 109.5° | 109.5° |
| H44 | C56 | H45 | 109.5° | 109.5° |
| H44 | C56 | H46 | 109.4° | 109.5° |
| H45 | C56 | H46 | 109.5° | 109.5° |
| H47 | C57 | H48 | 109.5° | 109.5° |
| H47 | C57 | H49 | 109.5° | 109.5° |
| H48 | C57 | H49 | 109.4° | 109.5° |
| C10 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C12 | N16 | 41.4° | 15.5° |
| O11 | C10 | C12 | OXT | 84.0° | 179.7° |
| O11 | C10 | C12 | C13 | 72.5° | 99.7° |
| O11 | C10 | C12 | H9 | 165.5° | 138.0° |
| O11 | C10 | OXT | HXT | 90.0° | 0.3° |
| C15 | N16 | C12 | H2 | 120.2° | 119.6° |
| N16 | C15 | C14 | H13 | 118.9° | 118.7° |
| N16 | C15 | C14 | H14 | 118.9° | 118.9° |
| C15 | N16 | C12 | C10 | 119.9° | 158.3° |
| C15 | N16 | C12 | C13 | 2.0° | 39.5° |
| N16 | C15 | C14 | C13 | 41.8° | 23.9° |
| N16 | C15 | C14 | O33 | 73.4° | 142.8° |
| C15 | N16 | C12 | H9 | 116.6° | 79.3° |
| N16 | C15 | C14 | H12 | 162.0° | 95.1° |
| N16 | C15 | H13 | H14 | 123.1° | 122.4° |
| C12 | N16 | C15 | C14 | 25.7° | 39.5° |
| N16 | C12 | C10 | C13 | 113.9° | 115.2° |
| N16 | C12 | C10 | H9 | 124.1° | 122.5° |
| N16 | C12 | C13 | H9 | 119.2° | 118.9° |
| N16 | C12 | C13 | C14 | 27.9° | 23.8° |
| N16 | C12 | C13 | H10 | 90.9° | 95.0° |
| N16 | C12 | C13 | H11 | 146.8° | 142.8° |
| C12 | N16 | C15 | H13 | 144.6° | 158.3° |
| C12 | N16 | C15 | H14 | 93.3° | 79.4° |
| N16 | C12 | C10 | OXT | 42.6° | 164.8° |
| C15 | C14 | C13 | C12 | 43.2° | 0.0° |
| C15 | C14 | C13 | O33 | 109.9° | 118.9° |
| C15 | C14 | C13 | H12 | 120.7° | 119.1° |
| C15 | C14 | O33 | H12 | 124.1° | 122.3° |
| C15 | C14 | O33 | C34 | 167.5° | 88.4° |
| C15 | C14 | C13 | H10 | 75.7° | 118.9° |
| C15 | C14 | C13 | H11 | 162.0° | 118.9° |
| C14 | C15 | H13 | H14 | 123.1° | 122.4° |
| C14 | C15 | N16 | H2 | 145.9° | 80.1° |
| C10 | C12 | C13 | H9 | 122.2° | 122.3° |
| C10 | C12 | C13 | C14 | 146.5° | 142.6° |
| C10 | C12 | C13 | H10 | 27.7° | 23.8° |
| C10 | C12 | C13 | H11 | 94.6° | 98.4° |
| C10 | C12 | N16 | H2 | 0.4° | 38.7° |
| C12 | C10 | OXT | HXT | 90.0° | 180.0° |
| C12 | C13 | C14 | H10 | 118.8° | 118.9° |
| C12 | C13 | C14 | H11 | 118.9° | 118.9° |
| C12 | C13 | C14 | O33 | 66.7° | 118.9° |
| C12 | C13 | H10 | H11 | 123.4° | 122.2° |
| C12 | C13 | C14 | H12 | 163.9° | 119.1° |
| C13 | C12 | N16 | H2 | 118.2° | 80.1° |
| C13 | C12 | C10 | OXT | 156.5° | 80.0° |
| C13 | C14 | O33 | H12 | 128.6° | 122.1° |
| C13 | C14 | O33 | C34 | 85.1° | 155.9° |
| C14 | C13 | C12 | H9 | 91.3° | 95.1° |
| C14 | C13 | H10 | H11 | 123.4° | 122.3° |
| C13 | C14 | C15 | H13 | 160.7° | 142.6° |
| C13 | C14 | C15 | H14 | 77.2° | 95.0° |
| C14 | O33 | C34 | C35 | 9.6° | 5.6° |
| C14 | O33 | C34 | C39 | 171.9° | 174.1° |
| O33 | C14 | C13 | H10 | 174.5° | 122.2° |
| O33 | C14 | C13 | H11 | 52.2° | 0.0° |
| O33 | C14 | C15 | H13 | 45.5° | 98.5° |
| O33 | C14 | C15 | H14 | 167.7° | 23.9° |
| O33 | C34 | C39 | C40 | 0.4° | 0.0° |
| O33 | C34 | C35 | C39 | 178.5° | 179.7° |
| O33 | C34 | C35 | C36 | 179.1° | 180.0° |
| O33 | C34 | C39 | C38 | 179.6° | 179.7° |
| C34 | O33 | C14 | H12 | 43.5° | 33.9° |
| O33 | C34 | C35 | H35 | 0.9° | 0.0° |
| C39 | C40 | C41 | H36 | 180.0° | 180.0° |
| C40 | C39 | C34 | C35 | 178.1° | 179.7° |
| C40 | C39 | C34 | C38 | 180.0° | 179.7° |
| C39 | C40 | C41 | C42 | 0.6° | 0.0° |
| C40 | C39 | C38 | N37 | 179.7° | 179.7° |
| C40 | C39 | C38 | C43 | 0.6° | 0.0° |
| C39 | C40 | C41 | H37 | 179.4° | 179.9° |
| C41 | C40 | C39 | C34 | 178.9° | 180.0° |
| C41 | C40 | C39 | C38 | 1.1° | 0.3° |
| C40 | C41 | C42 | H37 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.5° | 0.7° |
| C40 | C41 | C42 | O45 | 180.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C35 | C34 | C39 | C38 | 1.9° | 0.6° |
| C34 | C35 | C36 | N37 | 1.3° | 0.1° |
| C34 | C35 | C36 | C47 | 179.1° | 180.0° |
| C39 | C34 | C35 | C36 | 2.5° | 0.3° |
| C34 | C39 | C38 | N37 | 0.3° | 0.6° |
| C34 | C39 | C38 | C43 | 179.4° | 179.7° |
| C39 | C34 | C35 | H35 | 177.5° | 179.7° |
| C34 | C39 | C40 | H36 | 1.0° | 0.0° |
| C35 | C36 | N37 | C47 | 177.9° | 179.9° |
| C35 | C36 | C47 | N51 | 0.5° | 0.3° |
| C35 | C36 | N37 | C38 | 0.3° | 0.0° |
| C35 | C36 | C47 | C48 | 177.8° | 180.0° |
| C39 | C38 | N37 | C36 | 0.9° | 0.3° |
| C39 | C38 | N37 | C43 | 179.1° | 179.7° |
| C39 | C38 | C43 | C42 | 0.5° | 0.6° |
| C39 | C38 | C43 | BR44 | 179.8° | 179.7° |
| C38 | C39 | C40 | H36 | 179.0° | 179.7° |
| C41 | C42 | C43 | C38 | 1.1° | 0.9° |
| C41 | C42 | C43 | O45 | 179.6° | 179.4° |
| C41 | C42 | O45 | C46 | 0.5° | 0.0° |
| C41 | C42 | C43 | BR44 | 179.6° | 180.0° |
| C42 | C41 | C40 | H36 | 179.5° | 180.0° |
| N37 | C36 | C47 | N51 | 178.3° | 179.7° |
| C36 | N37 | C38 | C43 | 178.2° | 180.0° |
| N37 | C36 | C47 | C48 | 0.1° | 0.1° |
| N37 | C36 | C35 | H35 | 178.7° | 179.9° |
| C36 | C47 | N51 | C48 | 178.4° | 179.8° |
| C36 | C47 | N51 | C50 | 178.8° | 179.7° |
| C47 | C36 | N37 | C38 | 177.6° | 180.0° |
| C36 | C47 | C48 | S49 | 178.4° | 180.0° |
| C47 | C36 | C35 | H35 | 0.9° | 0.0° |
| C36 | C47 | C48 | H41 | 1.6° | 0.0° |
| C47 | N51 | C50 | N52 | 179.5° | 179.8° |
| C47 | N51 | C50 | S49 | 0.6° | 0.5° |
| N51 | C47 | C48 | S49 | 0.1° | 0.2° |
| N51 | C47 | C48 | H41 | 179.9° | 179.7° |
| N51 | C50 | N52 | S49 | 178.9° | 179.7° |
| N51 | C50 | N52 | C53 | 163.5° | 179.7° |
| C50 | N51 | C47 | C48 | 0.4° | 0.5° |
| N51 | C50 | S49 | C48 | 0.4° | 0.3° |
| N51 | C50 | N52 | H42 | 16.5° | 0.4° |
| N37 | C38 | C43 | C42 | 178.5° | 179.1° |
| N37 | C38 | C43 | BR44 | 0.8° | 0.0° |
| C38 | C43 | C42 | BR44 | 179.3° | 179.1° |
| C38 | C43 | C42 | O45 | 179.3° | 179.7° |
| C43 | C42 | O45 | C46 | 180.0° | 179.4° |
| C43 | C42 | C41 | H37 | 179.5° | 179.3° |
| O45 | C42 | C43 | BR44 | 0.1° | 0.6° |
| O45 | C42 | C41 | H37 | 0.0° | 0.1° |
| C42 | O45 | C46 | H38 | 180.0° | 60.0° |
| C42 | O45 | C46 | H39 | 60.0° | 180.0° |
| C42 | O45 | C46 | H40 | 60.0° | 60.0° |
| C56 | C55 | C53 | N52 | 122.3° | 60.0° |
| C56 | C55 | C53 | C57 | 125.0° | 120.0° |
| C56 | C55 | C53 | H43 | 118.0° | 120.0° |
| C56 | C55 | C57 | H43 | 116.7° | 120.1° |
| C56 | C55 | C53 | O54 | 59.1° | 120.0° |
| C55 | C56 | H44 | H45 | 120.0° | 120.0° |
| C55 | C56 | H44 | H46 | 120.0° | 120.0° |
| C55 | C56 | H45 | H46 | 120.0° | 120.0° |
| C56 | C55 | C57 | H47 | 180.0° | 180.0° |
| C56 | C55 | C57 | H48 | 60.0° | 60.0° |
| C56 | C55 | C57 | H49 | 60.0° | 59.9° |
| O45 | C46 | H38 | H39 | 120.0° | 120.0° |
| O45 | C46 | H38 | H40 | 120.0° | 119.9° |
| O45 | C46 | H39 | H40 | 120.0° | 120.0° |
| C50 | N52 | C53 | H42 | 180.0° | 180.0° |
| C50 | N52 | C53 | C55 | 179.1° | 180.0° |
| C50 | N52 | C53 | O54 | 0.4° | 0.0° |
| N52 | C50 | S49 | C48 | 179.4° | 180.0° |
| N52 | C53 | C55 | O54 | 178.6° | 179.9° |
| N52 | C53 | C55 | C57 | 112.7° | 180.0° |
| C53 | N52 | C50 | S49 | 15.4° | 0.0° |
| N52 | C53 | C55 | H43 | 4.3° | 60.0° |
| C53 | C55 | C57 | H43 | 117.0° | 120.0° |
| C55 | C53 | N52 | H42 | 0.9° | 0.1° |
| C53 | C55 | C56 | H44 | 180.0° | 60.0° |
| C53 | C55 | C56 | H45 | 60.0° | 60.0° |
| C53 | C55 | C56 | H46 | 60.0° | 180.0° |
| C53 | C55 | C57 | H47 | 53.7° | 60.0° |
| C53 | C55 | C57 | H48 | 66.3° | 180.0° |
| C53 | C55 | C57 | H49 | 173.7° | 60.0° |
| C57 | C55 | C53 | O54 | 65.9° | 0.0° |
| C57 | C55 | C56 | H44 | 54.2° | 180.0° |
| C57 | C55 | C56 | H45 | 65.8° | 60.0° |
| C57 | C55 | C56 | H46 | 174.2° | 60.0° |
| C55 | C57 | H47 | H48 | 120.0° | 120.0° |
| C55 | C57 | H47 | H49 | 120.0° | 120.0° |
| C55 | C57 | H48 | H49 | 120.0° | 120.0° |
| C47 | C48 | S49 | C50 | 0.2° | 0.0° |
| C47 | C48 | S49 | H41 | 180.0° | 180.0° |
| C50 | S49 | C48 | H41 | 179.8° | 180.0° |
| S49 | C50 | N52 | H42 | 164.6° | 179.9° |
| O54 | C53 | N52 | H42 | 179.6° | 180.0° |
| O54 | C53 | C55 | H43 | 177.1° | 120.0° |
| H9 | C12 | C13 | H10 | 149.9° | 146.1° |
| H9 | C12 | C13 | H11 | 27.6° | 23.9° |
| H9 | C12 | N16 | H2 | 123.2° | 161.0° |
| H9 | C12 | C10 | OXT | 81.4° | 42.3° |
| H10 | C13 | C14 | H12 | 45.0° | 0.2° |
| H11 | C13 | C14 | H12 | 77.3° | 122.0° |
| H12 | C14 | C15 | H13 | 79.1° | 23.6° |
| H12 | C14 | C15 | H14 | 43.0° | 146.0° |
| H13 | C15 | N16 | H2 | 95.2° | 38.7° |
| H14 | C15 | N16 | H2 | 26.9° | 161.1° |
| H36 | C40 | C41 | H37 | 0.6° | 0.0° |
| H38 | C46 | H39 | H40 | 120.0° | 120.1° |
| H43 | C55 | C56 | H44 | 62.3° | 60.0° |
| H43 | C55 | C56 | H45 | 177.7° | 179.9° |
| H43 | C55 | C56 | H46 | 57.7° | 60.0° |
| H43 | C55 | C57 | H47 | 63.3° | 59.9° |
| H43 | C55 | C57 | H48 | 176.7° | 60.0° |
| H43 | C55 | C57 | H49 | 56.8° | 180.0° |
| H44 | C56 | H45 | H46 | 120.0° | 120.1° |
| H47 | C57 | H48 | H49 | 120.0° | 120.0° |
