SSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C11 | sing | 1.47Å | 1.50Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C12 | sing | 1.51Å | 1.51Å | |
| C6 | O16 | sing | 1.36Å | 1.37Å | |
| N9 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C35 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C46 | sing | 1.51Å | 1.52Å | |
| C11 | C17 | sing | 1.47Å | 1.50Å | |
| C17 | N18 | sing | 1.35Å | 1.34Å | |
| C17 | O32 | doub | 1.22Å | 1.23Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| N18 | C23 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.47Å | 1.45Å | |
| N21 | C22 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C35 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| C47 | C50 | doub | 1.38Å | 1.42Å | Aromatic |
| C47 | C54 | sing | 1.38Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C50 | C58 | sing | 1.51Å | 1.52Å | |
| C51 | C52 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | F62 | sing | 1.35Å | 1.34Å | |
| C52 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.5° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H1 | 119.8° | 119.7° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.2° |
| C1 | C6 | O16 | 118.4° | 119.8° |
| C6 | C1 | H1 | 119.7° | 119.8° |
| C2 | C3 | C4 | 119.3° | 119.5° |
| C2 | C3 | N9 | 133.5° | 133.1° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C4 | C3 | N9 | 106.4° | 107.4° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | C11 | 103.0° | 105.9° |
| C3 | N9 | C10 | 115.9° | 110.3° |
| C3 | N9 | C35 | 119.8° | 124.9° |
| C5 | C4 | C11 | 136.3° | 133.9° |
| C4 | C5 | C6 | 119.2° | 119.6° |
| C4 | C5 | C12 | 121.7° | 120.2° |
| C4 | C11 | C10 | 110.3° | 106.5° |
| C4 | C11 | C17 | 120.0° | 126.7° |
| C6 | C5 | C12 | 118.6° | 120.2° |
| C5 | C6 | O16 | 121.4° | 119.9° |
| C5 | C12 | H12 | 109.5° | 109.5° |
| C5 | C12 | H12A | 109.4° | 109.4° |
| C5 | C12 | H12B | 109.4° | 109.5° |
| C6 | O16 | HO16 | 109.5° | 114.0° |
| C10 | N9 | C35 | 121.4° | 124.8° |
| N9 | C10 | C11 | 102.5° | 109.8° |
| N9 | C10 | C46 | 129.1° | 125.1° |
| N9 | C35 | C36 | 123.3° | 120.1° |
| N9 | C35 | C40 | 121.9° | 120.1° |
| C11 | C10 | C46 | 127.9° | 125.1° |
| C10 | C11 | C17 | 128.6° | 126.8° |
| C10 | C46 | C47 | 112.3° | 109.4° |
| C10 | C46 | H46 | 108.5° | 109.5° |
| C10 | C46 | H46A | 108.5° | 109.5° |
| C11 | C17 | N18 | 119.4° | 120.0° |
| C11 | C17 | O32 | 118.2° | 120.0° |
| N18 | C17 | O32 | 122.3° | 120.0° |
| C17 | N18 | C19 | 121.3° | 120.9° |
| C17 | N18 | C23 | 119.5° | 120.9° |
| C19 | N18 | C23 | 119.1° | 118.2° |
| N18 | C19 | C20 | 108.5° | 108.5° |
| N18 | C19 | H19 | 109.8° | 109.6° |
| N18 | C19 | H19A | 109.8° | 109.6° |
| N18 | C23 | C22 | 111.5° | 108.8° |
| N18 | C23 | H23 | 108.8° | 109.7° |
| N18 | C23 | H23A | 108.8° | 109.6° |
| C19 | C20 | N21 | 110.0° | 109.3° |
| C20 | C19 | H19 | 109.8° | 109.7° |
| C20 | C19 | H19A | 109.8° | 109.7° |
| C19 | C20 | H20 | 109.3° | 109.5° |
| C19 | C20 | H20A | 109.3° | 109.5° |
| C20 | N21 | C22 | 117.7° | 111.2° |
| N21 | C20 | H20 | 109.3° | 109.5° |
| N21 | C20 | H20A | 109.3° | 109.5° |
| C20 | N21 | HN21 | 106.8° | 111.0° |
| N21 | C22 | C23 | 110.3° | 109.4° |
| C22 | N21 | HN21 | 106.8° | 111.1° |
| N21 | C22 | H22 | 109.2° | 109.5° |
| N21 | C22 | H22A | 109.2° | 109.6° |
| C23 | C22 | H22 | 109.2° | 109.5° |
| C23 | C22 | H22A | 109.2° | 109.3° |
| C22 | C23 | H23 | 108.8° | 109.6° |
| C22 | C23 | H23A | 108.8° | 109.5° |
| C36 | C35 | C40 | 114.8° | 119.9° |
| C35 | C36 | C37 | 122.6° | 119.9° |
| C35 | C36 | H36 | 118.7° | 120.1° |
| C35 | C40 | C39 | 123.5° | 119.9° |
| C35 | C40 | H40 | 118.3° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.1° |
| C37 | C36 | H36 | 118.7° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C37 | C38 | C39 | 119.4° | 120.1° |
| C38 | C37 | H37 | 119.8° | 119.9° |
| C37 | C38 | H38 | 120.3° | 120.0° |
| C38 | C39 | C40 | 119.3° | 120.1° |
| C39 | C38 | H38 | 120.3° | 119.9° |
| C38 | C39 | H39 | 120.3° | 120.0° |
| C40 | C39 | H39 | 120.4° | 119.9° |
| C39 | C40 | H40 | 118.2° | 120.1° |
| C46 | C47 | C50 | 123.4° | 119.9° |
| C46 | C47 | C54 | 116.1° | 120.0° |
| C47 | C46 | H46 | 108.5° | 109.5° |
| C47 | C46 | H46A | 108.5° | 109.4° |
| C50 | C47 | C54 | 120.5° | 120.1° |
| C47 | C50 | C51 | 119.1° | 119.9° |
| C47 | C50 | C58 | 124.4° | 120.1° |
| C47 | C54 | C53 | 119.8° | 120.0° |
| C47 | C54 | H54 | 120.1° | 120.0° |
| C51 | C50 | C58 | 116.5° | 120.0° |
| C50 | C51 | C52 | 120.5° | 120.0° |
| C50 | C51 | F62 | 118.8° | 120.0° |
| C50 | C58 | H58 | 109.5° | 109.5° |
| C50 | C58 | H58A | 109.5° | 109.5° |
| C50 | C58 | H58B | 109.4° | 109.4° |
| C52 | C51 | F62 | 120.6° | 120.1° |
| C51 | C52 | C53 | 120.0° | 120.0° |
| C51 | C52 | H52 | 120.0° | 120.0° |
| C52 | C53 | C54 | 119.9° | 120.0° |
| C53 | C52 | H52 | 120.0° | 120.0° |
| C52 | C53 | H53 | 120.1° | 120.0° |
| C54 | C53 | H53 | 120.0° | 120.0° |
| C53 | C54 | H54 | 120.1° | 120.0° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.1° | 109.7° |
| H20 | C20 | H20A | 109.6° | 109.6° |
| H22 | C22 | H22A | 109.8° | 109.5° |
| H23 | C23 | H23A | 110.2° | 109.8° |
| H46 | C46 | H46A | 110.4° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.5° |
| H58 | C58 | H58B | 109.5° | 109.5° |
| H58A | C58 | H58B | 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° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | N9 | 168.5° | 180.0° |
| C2 | C1 | C6 | C5 | 2.4° | 0.0° |
| C2 | C1 | C6 | O16 | 178.7° | 180.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C6 | C5 | C4 | 2.5° | 0.0° |
| C1 | C6 | C5 | O16 | 178.9° | 180.0° |
| C1 | C6 | C5 | C12 | 174.8° | 180.0° |
| C6 | C1 | C2 | H2 | 178.9° | 180.0° |
| C1 | C6 | O16 | HO16 | 180.0° | 90.0° |
| C2 | C3 | C4 | N9 | 171.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C11 | 175.1° | 180.0° |
| C2 | C3 | N9 | C10 | 178.5° | 180.0° |
| C2 | C3 | N9 | C35 | 17.4° | 0.1° |
| C3 | C2 | C1 | H1 | 178.9° | 179.7° |
| C3 | C4 | C5 | C11 | 172.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C3 | C4 | C5 | C12 | 173.5° | 180.0° |
| C4 | C3 | N9 | C10 | 12.0° | 0.1° |
| C4 | C3 | N9 | C35 | 173.1° | 180.0° |
| C3 | C4 | C11 | C10 | 4.7° | 0.0° |
| C3 | C4 | C11 | C17 | 173.6° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| N9 | C3 | C4 | C5 | 171.2° | 180.0° |
| N9 | C3 | C4 | C11 | 3.8° | 0.1° |
| C3 | N9 | C10 | C35 | 160.8° | 179.9° |
| C3 | N9 | C10 | C11 | 14.5° | 0.1° |
| C3 | N9 | C10 | C46 | 172.9° | 180.0° |
| C3 | N9 | C35 | C36 | 109.0° | 64.9° |
| C3 | N9 | C35 | C40 | 71.6° | 115.3° |
| N9 | C3 | C2 | H2 | 11.5° | 0.0° |
| C4 | C5 | C6 | C12 | 172.3° | 180.0° |
| C4 | C5 | C6 | O16 | 178.5° | 180.0° |
| C5 | C4 | C11 | C10 | 178.4° | 180.0° |
| C5 | C4 | C11 | C17 | 12.6° | 0.0° |
| C4 | C5 | C12 | H12 | 94.2° | 90.0° |
| C4 | C5 | C12 | H12A | 145.8° | 150.0° |
| C4 | C5 | C12 | H12B | 25.8° | 30.0° |
| C11 | C4 | C5 | C6 | 174.3° | 179.9° |
| C11 | C4 | C5 | C12 | 13.6° | 0.0° |
| C4 | C11 | C10 | N9 | 11.0° | 0.0° |
| C4 | C11 | C10 | C17 | 167.7° | 180.0° |
| C4 | C11 | C10 | C46 | 176.3° | 180.0° |
| C4 | C11 | C17 | N18 | 76.8° | 75.1° |
| C4 | C11 | C17 | O32 | 104.0° | 105.0° |
| C5 | C6 | C1 | H1 | 177.6° | 179.8° |
| C6 | C5 | C12 | H12 | 93.7° | 90.0° |
| C6 | C5 | C12 | H12A | 26.3° | 30.0° |
| C6 | C5 | C12 | H12B | 146.3° | 150.0° |
| C5 | C6 | O16 | HO16 | 1.1° | 90.0° |
| C12 | C5 | C6 | O16 | 6.3° | 0.0° |
| C5 | C12 | H12 | H12A | 120.0° | 120.0° |
| C5 | C12 | H12 | H12B | 120.0° | 120.0° |
| C5 | C12 | H12A | H12B | 120.0° | 120.0° |
| O16 | C6 | C1 | H1 | 1.3° | 0.3° |
| N9 | C10 | C11 | C46 | 172.7° | 180.0° |
| N9 | C10 | C11 | C17 | 178.7° | 180.0° |
| C10 | N9 | C35 | C36 | 51.1° | 115.0° |
| C10 | N9 | C35 | C40 | 128.3° | 64.8° |
| N9 | C10 | C46 | C47 | 125.8° | 96.8° |
| N9 | C10 | C46 | H46 | 114.1° | 143.1° |
| N9 | C10 | C46 | H46A | 5.8° | 23.1° |
| C35 | N9 | C10 | C11 | 175.3° | 180.0° |
| C35 | N9 | C10 | C46 | 12.1° | 0.1° |
| N9 | C35 | C36 | C40 | 179.4° | 179.8° |
| N9 | C35 | C36 | C37 | 177.9° | 180.0° |
| N9 | C35 | C40 | C39 | 180.0° | 179.6° |
| N9 | C35 | C36 | H36 | 2.1° | 0.1° |
| N9 | C35 | C40 | H40 | 0.0° | 0.1° |
| C10 | C11 | C17 | N18 | 116.5° | 104.8° |
| C10 | C11 | C17 | O32 | 62.7° | 75.1° |
| C11 | C10 | C46 | C47 | 44.9° | 83.2° |
| C11 | C10 | C46 | H46 | 75.1° | 36.8° |
| C11 | C10 | C46 | H46A | 164.9° | 156.8° |
| C46 | C10 | C11 | C17 | 8.7° | 0.0° |
| C10 | C46 | C47 | H46 | 120.0° | 120.0° |
| C10 | C46 | C47 | H46A | 120.0° | 119.9° |
| C10 | C46 | C47 | C50 | 65.5° | 118.0° |
| C10 | C46 | C47 | C54 | 117.2° | 62.2° |
| C10 | C46 | H46 | H46A | 118.8° | 120.0° |
| C11 | C17 | N18 | O32 | 179.1° | 179.9° |
| C11 | C17 | N18 | C19 | 0.3° | 174.7° |
| C11 | C17 | N18 | C23 | 176.5° | 5.1° |
| C17 | N18 | C19 | C23 | 176.2° | 179.8° |
| C17 | N18 | C19 | C20 | 134.1° | 128.8° |
| C17 | N18 | C23 | C22 | 137.5° | 128.9° |
| C17 | N18 | C19 | H19 | 14.2° | 111.4° |
| C17 | N18 | C19 | H19A | 105.9° | 9.1° |
| C17 | N18 | C23 | H23 | 102.5° | 9.1° |
| C17 | N18 | C23 | H23A | 17.5° | 111.4° |
| O32 | C17 | N18 | C19 | 179.5° | 5.2° |
| O32 | C17 | N18 | C23 | 4.4° | 175.0° |
| N18 | C19 | C20 | H19 | 120.0° | 119.8° |
| N18 | C19 | C20 | H19A | 120.0° | 119.7° |
| N18 | C19 | C20 | N21 | 51.3° | 53.9° |
| C19 | N18 | C23 | C22 | 46.3° | 50.8° |
| N18 | C19 | H19 | H19A | 120.4° | 120.4° |
| N18 | C19 | C20 | H20 | 68.7° | 173.8° |
| N18 | C19 | C20 | H20A | 171.3° | 66.1° |
| C19 | N18 | C23 | H23 | 73.7° | 170.7° |
| C19 | N18 | C23 | H23A | 166.2° | 68.8° |
| C23 | N18 | C19 | C20 | 49.7° | 50.9° |
| N18 | C23 | C22 | N21 | 43.6° | 53.6° |
| N18 | C23 | C22 | H23 | 120.0° | 119.9° |
| N18 | C23 | C22 | H23A | 120.0° | 119.7° |
| C23 | N18 | C19 | H19 | 169.7° | 68.8° |
| C23 | N18 | C19 | H19A | 70.3° | 170.7° |
| N18 | C23 | C22 | H22 | 76.4° | 173.6° |
| N18 | C23 | C22 | H22A | 163.6° | 66.4° |
| N18 | C23 | H23 | H23A | 119.2° | 120.5° |
| C19 | C20 | N21 | H20 | 120.0° | 119.9° |
| C19 | C20 | N21 | H20A | 120.0° | 119.9° |
| C19 | C20 | N21 | C22 | 58.2° | 63.1° |
| C20 | C19 | H19 | H19A | 120.4° | 120.5° |
| C19 | C20 | H20 | H20A | 119.8° | 120.1° |
| C19 | C20 | N21 | HN21 | 178.2° | 61.1° |
| C20 | N21 | C22 | HN21 | 120.0° | 124.2° |
| C20 | N21 | C22 | C23 | 53.4° | 63.0° |
| N21 | C20 | C19 | H19 | 171.3° | 65.9° |
| N21 | C20 | C19 | H19A | 68.7° | 173.6° |
| N21 | C20 | H20 | H20A | 119.8° | 120.1° |
| C20 | N21 | C22 | H22 | 66.6° | 176.9° |
| C20 | N21 | C22 | H22A | 173.4° | 56.8° |
| N21 | C22 | C23 | H22 | 120.0° | 120.0° |
| N21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C22 | N21 | C20 | H20 | 61.8° | 176.9° |
| C22 | N21 | C20 | H20A | 178.3° | 56.8° |
| N21 | C22 | H22 | H22A | 119.6° | 120.2° |
| N21 | C22 | C23 | H23 | 76.4° | 173.5° |
| N21 | C22 | C23 | H23A | 163.5° | 66.1° |
| C23 | C22 | N21 | HN21 | 173.4° | 61.2° |
| C23 | C22 | H22 | H22A | 119.7° | 119.9° |
| C22 | C23 | H23 | H23A | 119.2° | 120.2° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 2.5° | 0.1° |
| C36 | C35 | C40 | C39 | 0.6° | 0.5° |
| C35 | C36 | C37 | H37 | 177.5° | 179.9° |
| C36 | C35 | C40 | H40 | 179.4° | 179.7° |
| C40 | C35 | C36 | C37 | 1.5° | 0.2° |
| C35 | C40 | C39 | C38 | 1.7° | 0.6° |
| C35 | C40 | C39 | H40 | 180.0° | 179.7° |
| C40 | C35 | C36 | H36 | 178.5° | 179.7° |
| C35 | C40 | C39 | H39 | 178.3° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 1.3° | 0.0° |
| C36 | C37 | C38 | H38 | 178.7° | 179.9° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.7° | 0.3° |
| C38 | C37 | C36 | H36 | 177.5° | 180.0° |
| C37 | C38 | C39 | H39 | 179.3° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.7° |
| C39 | C38 | C37 | H37 | 178.7° | 180.0° |
| C38 | C39 | C40 | H40 | 178.3° | 179.7° |
| C40 | C39 | C38 | H38 | 179.3° | 179.7° |
| C46 | C47 | C50 | C54 | 177.2° | 179.7° |
| C46 | C47 | C50 | C51 | 177.8° | 180.0° |
| C46 | C47 | C50 | C58 | 0.6° | 0.0° |
| C46 | C47 | C54 | C53 | 179.2° | 179.7° |
| C47 | C46 | H46 | H46A | 118.8° | 120.0° |
| C46 | C47 | C54 | H54 | 0.8° | 0.0° |
| C47 | C50 | C51 | C58 | 178.6° | 180.0° |
| C47 | C50 | C51 | C52 | 2.8° | 0.0° |
| C47 | C50 | C51 | F62 | 178.9° | 180.0° |
| C50 | C47 | C54 | C53 | 3.4° | 0.6° |
| C50 | C47 | C46 | H46 | 174.5° | 2.0° |
| C50 | C47 | C46 | H46A | 54.5° | 122.0° |
| C50 | C47 | C54 | H54 | 176.6° | 179.7° |
| C47 | C50 | C58 | H58 | 90.9° | 83.8° |
| C47 | C50 | C58 | H58A | 149.1° | 156.1° |
| C47 | C50 | C58 | H58B | 29.1° | 36.2° |
| C54 | C47 | C50 | C51 | 0.7° | 0.3° |
| C54 | C47 | C50 | C58 | 177.8° | 179.7° |
| C47 | C54 | C53 | C52 | 2.7° | 0.6° |
| C47 | C54 | C53 | H54 | 180.0° | 179.7° |
| C54 | C47 | C46 | H46 | 2.8° | 177.7° |
| C54 | C47 | C46 | H46A | 122.8° | 57.7° |
| C47 | C54 | C53 | H53 | 177.3° | 179.7° |
| C50 | C51 | C52 | F62 | 178.2° | 180.0° |
| C50 | C51 | C52 | C53 | 3.5° | 0.0° |
| C50 | C51 | C52 | H52 | 176.5° | 180.0° |
| C51 | C50 | C58 | H58 | 90.7° | 96.2° |
| C51 | C50 | C58 | H58A | 29.3° | 23.9° |
| C51 | C50 | C58 | H58B | 149.4° | 143.8° |
| C58 | C50 | C51 | C52 | 178.6° | 180.0° |
| C58 | C50 | C51 | F62 | 0.4° | 0.0° |
| C50 | C58 | H58 | H58A | 120.0° | 120.0° |
| C50 | C58 | H58 | H58B | 120.0° | 120.0° |
| C50 | C58 | H58A | H58B | 120.0° | 119.9° |
| C51 | C52 | C53 | H52 | 180.0° | 179.9° |
| C51 | C52 | C53 | C54 | 0.7° | 0.3° |
| C51 | C52 | C53 | H53 | 179.3° | 180.0° |
| F62 | C51 | C52 | C53 | 178.2° | 180.0° |
| F62 | C51 | C52 | H52 | 1.8° | 0.1° |
| C52 | C53 | C54 | H53 | 180.0° | 179.7° |
| C52 | C53 | C54 | H54 | 177.3° | 179.7° |
| C54 | C53 | C52 | H52 | 179.3° | 179.7° |
| H1 | C1 | C2 | H2 | 1.1° | 0.3° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 51.3° | 54.1° |
| H19 | C19 | C20 | H20A | 68.7° | 174.2° |
| H19A | C19 | C20 | H20 | 171.3° | 66.5° |
| H19A | C19 | C20 | H20A | 51.3° | 53.6° |
| H20 | C20 | N21 | HN21 | 58.2° | 58.9° |
| H20A | C20 | N21 | HN21 | 61.7° | 179.0° |
| HN21 | N21 | C22 | H22 | 53.4° | 58.9° |
| HN21 | N21 | C22 | H22A | 66.6° | 179.0° |
| H22 | C22 | C23 | H23 | 163.6° | 66.5° |
| H22 | C22 | C23 | H23A | 43.5° | 53.9° |
| H22A | C22 | C23 | H23 | 43.6° | 53.5° |
| H22A | C22 | C23 | H23A | 76.5° | 173.9° |
| H36 | C36 | C37 | H37 | 2.5° | 0.0° |
| H37 | C37 | C38 | H38 | 1.3° | 0.1° |
| H38 | C38 | C39 | H39 | 0.7° | 0.0° |
| H39 | C39 | C40 | H40 | 1.7° | 0.0° |
| H52 | C52 | C53 | H53 | 0.7° | 0.1° |
| H53 | C53 | C54 | H54 | 2.7° | 0.0° |
| H58 | C58 | H58A | H58B | 120.0° | 120.0° |
