W61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | N20 | sing | 1.39Å | 1.44Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.50Å | |
| N4 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | F52 | sing | 1.40Å | 1.32Å | |
| C11 | F53 | sing | 1.40Å | 1.32Å | |
| C11 | F54 | sing | 1.40Å | 1.32Å | |
| N20 | C21 | sing | 1.47Å | 1.47Å | |
| N20 | C32 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| N23 | C26 | sing | 1.47Å | 1.49Å | |
| C24 | C32 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C26 | C30 | sing | 1.55Å | 1.54Å | |
| C27 | N28 | sing | 1.47Å | 1.46Å | |
| N28 | C29 | sing | 1.48Å | 1.46Å | |
| C29 | C30 | sing | 1.55Å | 1.53Å | |
| C29 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | N46 | sing | 1.35Å | 1.34Å | |
| C33 | O57 | doub | 1.21Å | 1.23Å | |
| N46 | C47 | sing | 1.47Å | 1.47Å | |
| N46 | C50 | sing | 1.46Å | 1.47Å | |
| C47 | S48 | sing | 1.84Å | 1.77Å | |
| S48 | C49 | sing | 1.84Å | 1.73Å | |
| C49 | C50 | sing | 1.56Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 1.01Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.1° | 117.9° |
| C2 | C1 | N20 | 120.2° | 121.0° |
| C1 | C2 | C3 | 120.4° | 119.7° |
| C1 | C2 | H2 | 119.8° | 120.2° |
| C6 | C1 | N20 | 122.5° | 121.1° |
| C1 | C6 | C5 | 120.2° | 118.9° |
| C1 | C6 | C7 | 121.8° | 121.4° |
| C1 | N20 | C21 | 116.6° | 111.0° |
| C1 | N20 | C32 | 116.2° | 111.0° |
| C2 | C3 | N4 | 120.6° | 121.9° |
| C2 | C3 | C11 | 124.8° | 119.1° |
| C3 | C2 | H2 | 119.8° | 120.2° |
| N4 | C3 | C11 | 114.6° | 119.1° |
| C3 | N4 | C5 | 121.3° | 121.7° |
| C3 | C11 | F52 | 106.5° | 109.4° |
| C3 | C11 | F53 | 114.6° | 109.4° |
| C3 | C11 | F54 | 108.7° | 109.5° |
| N4 | C5 | C6 | 120.5° | 119.9° |
| N4 | C5 | C10 | 118.0° | 121.0° |
| C6 | C5 | C10 | 121.6° | 119.0° |
| C5 | C6 | C7 | 118.0° | 119.7° |
| C5 | C10 | C9 | 119.7° | 119.8° |
| C5 | C10 | H10 | 120.1° | 120.1° |
| C6 | C7 | C8 | 120.6° | 119.7° |
| C6 | C7 | H7 | 119.7° | 120.2° |
| C7 | C8 | C9 | 120.8° | 120.8° |
| C8 | C7 | H7 | 119.7° | 120.2° |
| C7 | C8 | H8 | 119.6° | 119.6° |
| C8 | C9 | C10 | 119.3° | 121.0° |
| C9 | C8 | H8 | 119.6° | 119.6° |
| C8 | C9 | H9 | 120.3° | 119.5° |
| C10 | C9 | H9 | 120.4° | 119.5° |
| C9 | C10 | H10 | 120.2° | 120.1° |
| F52 | C11 | F53 | 108.4° | 109.5° |
| F52 | C11 | F54 | 107.5° | 109.5° |
| F53 | C11 | F54 | 110.8° | 109.5° |
| C21 | N20 | C32 | 114.9° | 110.9° |
| N20 | C21 | C22 | 109.7° | 109.3° |
| N20 | C21 | H21 | 109.4° | 109.5° |
| N20 | C21 | H21A | 109.4° | 109.5° |
| N20 | C32 | C24 | 109.0° | 109.4° |
| N20 | C32 | H32 | 109.6° | 109.5° |
| N20 | C32 | H32A | 109.6° | 109.5° |
| C21 | C22 | N23 | 109.4° | 109.4° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C22 | C21 | H21A | 109.4° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.4° |
| C22 | N23 | C24 | 115.2° | 110.9° |
| C22 | N23 | C26 | 108.6° | 111.0° |
| N23 | C22 | H22 | 109.5° | 109.5° |
| N23 | C22 | H22A | 109.5° | 109.5° |
| C24 | N23 | C26 | 110.1° | 111.0° |
| N23 | C24 | C32 | 110.1° | 109.4° |
| N23 | C24 | H24 | 109.3° | 109.4° |
| N23 | C24 | H24A | 109.3° | 109.5° |
| N23 | C26 | C27 | 111.8° | 110.7° |
| N23 | C26 | C30 | 112.8° | 110.8° |
| N23 | C26 | H26 | 103.7° | 110.6° |
| C32 | C24 | H24 | 109.2° | 109.5° |
| C32 | C24 | H24A | 109.3° | 109.6° |
| C24 | C32 | H32 | 109.6° | 109.5° |
| C24 | C32 | H32A | 109.6° | 109.5° |
| C27 | C26 | C30 | 102.9° | 103.0° |
| C26 | C27 | N28 | 104.8° | 107.2° |
| C27 | C26 | H26 | 113.5° | 110.7° |
| C26 | C27 | H27 | 111.1° | 109.9° |
| C26 | C27 | H27A | 111.1° | 109.9° |
| C26 | C30 | C29 | 104.7° | 101.7° |
| C30 | C26 | H26 | 112.5° | 110.8° |
| C26 | C30 | H30 | 111.1° | 111.0° |
| C26 | C30 | H30A | 111.1° | 111.0° |
| C27 | N28 | C29 | 112.4° | 108.6° |
| N28 | C27 | H27 | 111.0° | 109.9° |
| N28 | C27 | H27A | 111.0° | 109.9° |
| C27 | N28 | HN28 | 108.5° | 111.0° |
| N28 | C29 | C30 | 104.2° | 104.8° |
| N28 | C29 | C33 | 113.7° | 110.4° |
| C29 | N28 | HN28 | 108.5° | 111.0° |
| N28 | C29 | H29 | 111.7° | 110.4° |
| C30 | C29 | C33 | 113.4° | 110.4° |
| C30 | C29 | H29 | 112.0° | 110.4° |
| C29 | C30 | H30 | 111.1° | 111.0° |
| C29 | C30 | H30A | 111.1° | 111.0° |
| C29 | C33 | N46 | 116.9° | 120.0° |
| C29 | C33 | O57 | 119.5° | 120.0° |
| C33 | C29 | H29 | 102.2° | 110.4° |
| N46 | C33 | O57 | 123.6° | 120.0° |
| C33 | N46 | C47 | 124.9° | 122.5° |
| C33 | N46 | C50 | 120.6° | 122.5° |
| C47 | N46 | C50 | 114.5° | 115.0° |
| N46 | C47 | S48 | 104.3° | 105.0° |
| N46 | C47 | H47 | 111.2° | 110.3° |
| N46 | C47 | H47A | 111.2° | 110.3° |
| N46 | C50 | C49 | 111.8° | 109.3° |
| N46 | C50 | H50 | 108.7° | 109.5° |
| N46 | C50 | H50A | 108.7° | 109.5° |
| C47 | S48 | C49 | 98.3° | 94.9° |
| S48 | C47 | H47 | 111.2° | 110.3° |
| S48 | C47 | H47A | 111.2° | 110.4° |
| S48 | C49 | C50 | 104.3° | 99.7° |
| S48 | C49 | H49 | 111.3° | 111.4° |
| S48 | C49 | H49A | 111.2° | 111.3° |
| C50 | C49 | H49 | 111.2° | 111.6° |
| C50 | C49 | H49A | 111.3° | 111.2° |
| C49 | C50 | H50 | 108.7° | 109.7° |
| C49 | C50 | H50A | 108.7° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.6° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.6° | 109.5° |
| H27 | C27 | H27A | 107.8° | 110.0° |
| H30 | C30 | H30A | 107.8° | 110.9° |
| H32 | C32 | H32A | 109.3° | 109.5° |
| H47 | C47 | H47A | 107.7° | 110.4° |
| H49 | C49 | H49A | 107.6° | 111.1° |
| H50 | C50 | H50A | 110.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N20 | 174.1° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 1.5° | 0.1° |
| C1 | C2 | C3 | C11 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C2 | C1 | N20 | C21 | 26.9° | 60.0° |
| C2 | C1 | N20 | C32 | 113.6° | 63.8° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C6 | C5 | N4 | 0.4° | 0.0° |
| C1 | C6 | C5 | C7 | 179.8° | 180.0° |
| C1 | C6 | C5 | C10 | 179.6° | 180.0° |
| C1 | C6 | C7 | C8 | 179.8° | 180.0° |
| C6 | C1 | N20 | C21 | 159.3° | 119.7° |
| C6 | C1 | N20 | C32 | 60.3° | 116.5° |
| C6 | C1 | C2 | H2 | 178.9° | 179.9° |
| C1 | C6 | C7 | H7 | 0.2° | 0.0° |
| N20 | C1 | C2 | C3 | 175.3° | 179.8° |
| N20 | C1 | C6 | C5 | 174.2° | 179.8° |
| N20 | C1 | C6 | C7 | 6.0° | 0.2° |
| C1 | N20 | C21 | C32 | 141.0° | 123.9° |
| C1 | N20 | C21 | C22 | 162.0° | 176.8° |
| C1 | N20 | C32 | C24 | 162.5° | 176.8° |
| N20 | C1 | C2 | H2 | 4.7° | 0.3° |
| C1 | N20 | C21 | H21 | 42.0° | 56.9° |
| C1 | N20 | C21 | H21A | 78.0° | 63.3° |
| C1 | N20 | C32 | H32 | 77.5° | 63.2° |
| C1 | N20 | C32 | H32A | 42.5° | 56.8° |
| C2 | C3 | N4 | C11 | 178.0° | 179.9° |
| C2 | C3 | N4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C11 | F52 | 114.5° | 90.0° |
| C2 | C3 | C11 | F53 | 5.3° | 150.1° |
| C2 | C3 | C11 | F54 | 129.9° | 30.0° |
| C3 | N4 | C5 | C6 | 0.1° | 0.0° |
| C3 | N4 | C5 | C10 | 179.3° | 180.0° |
| N4 | C3 | C11 | F52 | 63.4° | 90.0° |
| N4 | C3 | C11 | F53 | 176.8° | 30.0° |
| N4 | C3 | C11 | F54 | 52.1° | 150.0° |
| N4 | C3 | C2 | H2 | 178.5° | 180.0° |
| C11 | C3 | N4 | C5 | 178.9° | 180.0° |
| C3 | C11 | F52 | F53 | 123.8° | 119.9° |
| C3 | C11 | F52 | F54 | 116.4° | 120.0° |
| C3 | C11 | F53 | F54 | 123.5° | 120.0° |
| C11 | C3 | C2 | H2 | 0.7° | 0.1° |
| N4 | C5 | C6 | C10 | 179.2° | 180.0° |
| N4 | C5 | C6 | C7 | 179.3° | 180.0° |
| N4 | C5 | C10 | C9 | 179.3° | 180.0° |
| N4 | C5 | C10 | H10 | 0.7° | 0.1° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C5 | C10 | H10 | 180.0° | 179.9° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C10 | C9 | C8 | 0.2° | 0.0° |
| C5 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C10 | C9 | H9 | 179.8° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 179.9° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| F52 | C11 | F53 | F54 | 117.7° | 120.1° |
| N20 | C21 | C22 | H21 | 120.0° | 120.0° |
| N20 | C21 | C22 | H21A | 120.0° | 119.9° |
| N20 | C21 | C22 | N23 | 53.2° | 58.4° |
| C21 | N20 | C32 | C24 | 56.4° | 59.4° |
| N20 | C21 | H21 | H21A | 119.9° | 120.1° |
| N20 | C21 | C22 | H22 | 66.8° | 61.6° |
| N20 | C21 | C22 | H22A | 173.2° | 178.3° |
| C21 | N20 | C32 | H32 | 63.6° | 60.6° |
| C21 | N20 | C32 | H32A | 176.4° | 179.3° |
| C32 | N20 | C21 | C22 | 57.1° | 59.3° |
| N20 | C32 | C24 | N23 | 52.7° | 58.4° |
| N20 | C32 | C24 | H32 | 120.0° | 120.0° |
| N20 | C32 | C24 | H32A | 120.0° | 120.0° |
| C32 | N20 | C21 | H21 | 177.1° | 179.3° |
| C32 | N20 | C21 | H21A | 62.9° | 60.6° |
| N20 | C32 | C24 | H24 | 67.3° | 61.5° |
| N20 | C32 | C24 | H24A | 172.7° | 178.4° |
| N20 | C32 | H32 | H32A | 120.2° | 120.1° |
| C21 | C22 | N23 | H22 | 120.0° | 120.0° |
| C21 | C22 | N23 | H22A | 120.0° | 119.9° |
| C21 | C22 | N23 | C24 | 55.5° | 59.3° |
| C21 | C22 | N23 | C26 | 179.4° | 176.8° |
| C22 | C21 | H21 | H21A | 119.9° | 120.1° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C22 | N23 | C24 | C26 | 123.1° | 123.9° |
| C22 | N23 | C24 | C32 | 55.5° | 59.3° |
| C22 | N23 | C26 | C27 | 179.6° | 173.9° |
| C22 | N23 | C26 | C30 | 64.2° | 60.3° |
| N23 | C22 | C21 | H21 | 173.3° | 178.4° |
| N23 | C22 | C21 | H21A | 66.8° | 61.5° |
| N23 | C22 | H22 | H22A | 120.0° | 120.1° |
| C22 | N23 | C24 | H24 | 64.5° | 60.7° |
| C22 | N23 | C24 | H24A | 175.5° | 179.3° |
| C22 | N23 | C26 | H26 | 57.8° | 63.0° |
| N23 | C24 | C32 | H24 | 120.0° | 119.9° |
| N23 | C24 | C32 | H24A | 120.0° | 120.0° |
| C24 | N23 | C26 | C27 | 53.5° | 62.3° |
| C24 | N23 | C26 | C30 | 168.9° | 175.9° |
| C24 | N23 | C22 | H22 | 64.5° | 60.7° |
| C24 | N23 | C22 | H22A | 175.5° | 179.2° |
| N23 | C24 | H24 | H24A | 119.8° | 120.0° |
| C24 | N23 | C26 | H26 | 69.2° | 60.8° |
| N23 | C24 | C32 | H32 | 67.3° | 61.6° |
| N23 | C24 | C32 | H32A | 172.7° | 178.4° |
| C26 | N23 | C24 | C32 | 178.6° | 176.8° |
| N23 | C26 | C27 | C30 | 121.3° | 118.4° |
| N23 | C26 | C27 | H26 | 116.9° | 123.0° |
| N23 | C26 | C30 | H26 | 116.9° | 123.2° |
| N23 | C26 | C27 | N28 | 148.8° | 140.7° |
| N23 | C26 | C30 | C29 | 154.0° | 154.0° |
| C26 | N23 | C22 | H22 | 59.4° | 63.2° |
| C26 | N23 | C22 | H22A | 60.6° | 56.9° |
| C26 | N23 | C24 | H24 | 58.7° | 63.2° |
| C26 | N23 | C24 | H24A | 61.3° | 56.8° |
| N23 | C26 | C27 | H27 | 28.8° | 21.3° |
| N23 | C26 | C27 | H27A | 91.2° | 99.9° |
| N23 | C26 | C30 | H30 | 86.0° | 87.8° |
| N23 | C26 | C30 | H30A | 34.0° | 36.0° |
| C32 | C24 | H24 | H24A | 119.7° | 120.2° |
| C24 | C32 | H32 | H32A | 120.2° | 120.0° |
| C27 | C26 | C30 | H26 | 122.5° | 118.4° |
| C26 | C27 | N28 | H27 | 120.0° | 119.4° |
| C26 | C27 | N28 | H27A | 120.0° | 119.4° |
| C26 | C27 | N28 | C29 | 11.7° | 1.0° |
| C27 | C26 | C30 | C29 | 33.3° | 35.6° |
| C26 | C27 | H27 | H27A | 121.9° | 121.1° |
| C26 | C27 | N28 | HN28 | 131.7° | 121.3° |
| C27 | C26 | C30 | H30 | 153.3° | 153.7° |
| C27 | C26 | C30 | H30A | 86.7° | 82.5° |
| C30 | C26 | C27 | N28 | 27.5° | 22.3° |
| C26 | C30 | C29 | N28 | 26.6° | 37.0° |
| C26 | C30 | C29 | H30 | 120.0° | 118.1° |
| C26 | C30 | C29 | H30A | 120.0° | 118.1° |
| C26 | C30 | C29 | C33 | 150.7° | 155.9° |
| C30 | C26 | C27 | H27 | 92.5° | 97.2° |
| C30 | C26 | C27 | H27A | 147.5° | 141.6° |
| C26 | C30 | C29 | H29 | 94.3° | 81.8° |
| C26 | C30 | H30 | H30A | 121.9° | 123.9° |
| C27 | N28 | C29 | HN28 | 120.0° | 122.3° |
| C27 | N28 | C29 | C30 | 9.3° | 24.0° |
| C27 | N28 | C29 | C33 | 133.3° | 142.9° |
| N28 | C27 | C26 | H26 | 94.3° | 96.2° |
| N28 | C27 | H27 | H27A | 121.9° | 121.2° |
| C27 | N28 | C29 | H29 | 111.8° | 94.8° |
| N28 | C29 | C30 | C33 | 124.2° | 118.8° |
| N28 | C29 | C30 | H29 | 120.9° | 118.8° |
| N28 | C29 | C33 | H29 | 120.5° | 122.3° |
| N28 | C29 | C33 | N46 | 151.6° | 161.4° |
| N28 | C29 | C33 | O57 | 26.1° | 18.6° |
| C29 | N28 | C27 | H27 | 108.3° | 120.4° |
| C29 | N28 | C27 | H27A | 131.7° | 118.4° |
| N28 | C29 | C30 | H30 | 146.6° | 155.2° |
| N28 | C29 | C30 | H30A | 93.5° | 81.1° |
| C30 | C29 | C33 | H29 | 120.7° | 122.3° |
| C30 | C29 | C33 | N46 | 89.5° | 83.2° |
| C30 | C29 | C33 | O57 | 92.7° | 96.8° |
| C29 | C30 | C26 | H26 | 89.2° | 82.8° |
| C30 | C29 | N28 | HN28 | 110.7° | 98.2° |
| C29 | C30 | H30 | H30A | 121.9° | 123.8° |
| C29 | C33 | N46 | O57 | 177.6° | 180.0° |
| C29 | C33 | N46 | C47 | 177.7° | 0.1° |
| C29 | C33 | N46 | C50 | 2.8° | 179.7° |
| C33 | C29 | N28 | HN28 | 13.2° | 20.6° |
| C33 | C29 | C30 | H30 | 89.3° | 86.0° |
| C33 | C29 | C30 | H30A | 30.7° | 37.8° |
| C33 | N46 | C47 | C50 | 179.5° | 179.7° |
| C33 | N46 | C47 | S48 | 164.0° | 176.0° |
| C33 | N46 | C50 | C49 | 179.3° | 149.2° |
| N46 | C33 | C29 | H29 | 31.2° | 39.1° |
| C33 | N46 | C47 | H47 | 44.0° | 57.1° |
| C33 | N46 | C47 | H47A | 76.0° | 65.1° |
| C33 | N46 | C50 | H50 | 59.3° | 90.7° |
| C33 | N46 | C50 | H50A | 60.7° | 29.2° |
| O57 | C33 | N46 | C47 | 0.1° | 179.9° |
| O57 | C33 | N46 | C50 | 179.6° | 0.3° |
| O57 | C33 | C29 | H29 | 146.5° | 140.9° |
| N46 | C47 | S48 | H47 | 120.0° | 118.9° |
| N46 | C47 | S48 | H47A | 120.0° | 118.9° |
| N46 | C47 | S48 | C49 | 23.5° | 18.5° |
| C47 | N46 | C50 | C49 | 1.2° | 31.2° |
| N46 | C47 | H47 | H47A | 122.1° | 122.2° |
| C47 | N46 | C50 | H50 | 121.2° | 89.0° |
| C47 | N46 | C50 | H50A | 118.9° | 151.1° |
| C50 | N46 | C47 | S48 | 15.5° | 4.3° |
| N46 | C50 | C49 | S48 | 17.7° | 40.7° |
| N46 | C50 | C49 | H50 | 120.0° | 120.0° |
| N46 | C50 | C49 | H50A | 120.0° | 119.9° |
| C50 | N46 | C47 | H47 | 135.5° | 123.2° |
| C50 | N46 | C47 | H47A | 104.5° | 114.6° |
| N46 | C50 | C49 | H49 | 137.7° | 77.1° |
| N46 | C50 | C49 | H49A | 102.3° | 158.2° |
| N46 | C50 | H50 | H50A | 119.0° | 119.9° |
| C47 | S48 | C49 | C50 | 23.9° | 33.3° |
| S48 | C47 | H47 | H47A | 122.1° | 122.2° |
| C47 | S48 | C49 | H49 | 143.9° | 84.5° |
| C47 | S48 | C49 | H49A | 96.1° | 150.8° |
| S48 | C49 | C50 | H49 | 120.0° | 117.7° |
| S48 | C49 | C50 | H49A | 120.0° | 117.5° |
| C49 | S48 | C47 | H47 | 143.5° | 100.4° |
| C49 | S48 | C47 | H47A | 96.5° | 137.4° |
| S48 | C49 | H49 | H49A | 122.1° | 124.8° |
| S48 | C49 | C50 | H50 | 137.7° | 79.3° |
| S48 | C49 | C50 | H50A | 102.3° | 160.6° |
| C50 | C49 | H49 | H49A | 122.1° | 124.8° |
| C49 | C50 | H50 | H50A | 119.1° | 120.1° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| H9 | C9 | C10 | H10 | 0.2° | 0.1° |
| H21 | C21 | C22 | H22 | 53.3° | 58.4° |
| H21 | C21 | C22 | H22A | 66.7° | 61.7° |
| H21A | C21 | C22 | H22 | 173.2° | 178.5° |
| H21A | C21 | C22 | H22A | 53.2° | 58.4° |
| H24 | C24 | C32 | H32 | 172.6° | 178.5° |
| H24 | C24 | C32 | H32A | 52.7° | 58.5° |
| H24A | C24 | C32 | H32 | 52.7° | 58.4° |
| H24A | C24 | C32 | H32A | 67.3° | 61.6° |
| H26 | C26 | C27 | H27 | 145.7° | 144.3° |
| H26 | C26 | C27 | H27A | 25.7° | 23.1° |
| H26 | C26 | C30 | H30 | 30.9° | 35.3° |
| H26 | C26 | C30 | H30A | 150.8° | 159.1° |
| H27 | C27 | N28 | HN28 | 11.7° | 1.9° |
| H27A | C27 | N28 | HN28 | 108.3° | 119.3° |
| HN28 | N28 | C29 | H29 | 128.2° | 143.0° |
| H29 | C29 | C30 | H30 | 25.7° | 36.4° |
| H29 | C29 | C30 | H30A | 145.7° | 160.1° |
| H49 | C49 | C50 | H50 | 102.3° | 162.9° |
| H49 | C49 | C50 | H50A | 17.7° | 42.9° |
| H49A | C49 | C50 | H50 | 17.7° | 38.2° |
| H49A | C49 | C50 | H50A | 137.7° | 81.8° |
