006
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C48 | sing | 1.35Å | 1.34Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C28 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | O20 | sing | 1.43Å | 1.44Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C29 | O21 | doub | 1.21Å | 1.23Å | |
| C27 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| N50 | C29 | sing | 1.35Å | 1.35Å | |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| N30 | C55 | sing | 1.35Å | 1.35Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C35 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C32 | C31 | sing | 1.51Å | 1.48Å | |
| C31 | C35 | sing | 1.54Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | C35 | sing | 1.54Å | 1.54Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C48 | O40 | doub | 1.21Å | 1.22Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C45 | O41 | sing | 1.36Å | 1.38Å | |
| O41 | C49 | sing | 1.43Å | 1.43Å | |
| C42 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C46 | C44 | sing | 1.51Å | 1.50Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C46 | C45 | doub | 1.39Å | 1.41Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C49 | C48 | sing | 1.51Å | 1.51Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| S50 | C50 | sing | 1.84Å | 1.75Å | |
| C50 | N50 | sing | 1.48Å | 1.47Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C54 | N50 | sing | 1.46Å | 1.50Å | |
| O50 | C55 | doub | 1.21Å | 1.22Å | |
| C51 | S50 | sing | 1.84Å | 1.75Å | |
| C53 | C51 | sing | 1.53Å | 1.53Å | |
| C51 | C54 | sing | 1.55Å | 1.56Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| C55 | C54 | sing | 1.51Å | 1.54Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C48 | N2 | C20 | 121.7° | 120.0° |
| C48 | N2 | HN2 | 119.2° | 120.0° |
| N2 | C48 | O40 | 124.1° | 120.0° |
| N2 | C48 | C49 | 117.2° | 120.0° |
| C20 | N2 | HN2 | 119.1° | 120.0° |
| N2 | C20 | C21 | 106.4° | 109.4° |
| N2 | C20 | C28 | 111.6° | 109.5° |
| N2 | C20 | H20 | 110.4° | 109.4° |
| C21 | C20 | C28 | 110.4° | 109.5° |
| C21 | C20 | H20 | 111.6° | 109.4° |
| C20 | C21 | C22 | 111.1° | 109.5° |
| C20 | C21 | H21 | 109.0° | 109.5° |
| C20 | C21 | H21A | 108.9° | 109.4° |
| C28 | C20 | H20 | 106.4° | 109.5° |
| C20 | C28 | O20 | 109.7° | 109.5° |
| C20 | C28 | C29 | 116.3° | 109.4° |
| C20 | C28 | H28 | 104.8° | 109.5° |
| C28 | O20 | HO20 | 109.5° | 114.0° |
| O20 | C28 | C29 | 110.3° | 109.5° |
| O20 | C28 | H28 | 111.5° | 109.5° |
| C22 | C21 | H21 | 108.9° | 109.5° |
| C22 | C21 | H21A | 109.0° | 109.5° |
| C21 | C22 | C27 | 119.6° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| H21 | C21 | H21A | 110.0° | 109.5° |
| O21 | C29 | C28 | 120.7° | 120.0° |
| O21 | C29 | N50 | 123.5° | 120.0° |
| C27 | C22 | C23 | 120.2° | 120.0° |
| C22 | C27 | C26 | 119.7° | 120.0° |
| C22 | C27 | H27 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C23 | C24 | H24 | 120.2° | 119.9° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.1° |
| C26 | C25 | H25 | 119.8° | 119.9° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.0° | 119.9° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| C29 | C28 | H28 | 104.1° | 109.5° |
| C28 | C29 | N50 | 115.8° | 120.0° |
| C29 | N50 | C50 | 124.3° | 122.4° |
| C29 | N50 | C54 | 122.9° | 122.4° |
| C31 | N30 | C55 | 131.1° | 120.0° |
| C31 | N30 | HN30 | 114.4° | 120.0° |
| N30 | C31 | C32 | 108.9° | 110.3° |
| N30 | C31 | C35 | 114.2° | 110.3° |
| N30 | C31 | H31 | 105.0° | 110.2° |
| C55 | N30 | HN30 | 114.4° | 120.0° |
| N30 | C55 | O50 | 116.7° | 120.0° |
| N30 | C55 | C54 | 124.8° | 120.0° |
| C35 | O30 | HO30 | 109.5° | 114.0° |
| O30 | C35 | C31 | 112.1° | 110.8° |
| O30 | C35 | C39 | 110.3° | 110.9° |
| O30 | C35 | H35 | 106.7° | 110.7° |
| C32 | C31 | C35 | 103.7° | 105.2° |
| C32 | C31 | H31 | 115.3° | 110.4° |
| C31 | C32 | C33 | 126.2° | 130.4° |
| C31 | C32 | C36 | 111.9° | 109.7° |
| C35 | C31 | H31 | 110.1° | 110.3° |
| C31 | C35 | C39 | 108.2° | 102.4° |
| C31 | C35 | H35 | 108.8° | 110.8° |
| C33 | C32 | C36 | 121.9° | 119.9° |
| C32 | C33 | C34 | 117.6° | 120.2° |
| C32 | C33 | H33 | 121.2° | 119.9° |
| C32 | C36 | C37 | 121.3° | 119.8° |
| C32 | C36 | C39 | 112.1° | 109.8° |
| C34 | C33 | H33 | 121.2° | 119.9° |
| C33 | C34 | C38 | 120.5° | 120.0° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C38 | C34 | H34 | 119.7° | 120.0° |
| C34 | C38 | C37 | 121.1° | 119.9° |
| C34 | C38 | H38 | 119.4° | 120.1° |
| C39 | C35 | H35 | 110.7° | 111.0° |
| C35 | C39 | C36 | 102.3° | 105.1° |
| C35 | C39 | H39 | 111.9° | 110.3° |
| C35 | C39 | H39A | 112.0° | 110.4° |
| C37 | C36 | C39 | 126.7° | 130.4° |
| C36 | C37 | C38 | 117.7° | 120.2° |
| C36 | C37 | H37 | 121.2° | 119.9° |
| C36 | C39 | H39 | 111.9° | 110.3° |
| C36 | C39 | H39A | 112.0° | 110.3° |
| C38 | C37 | H37 | 121.2° | 119.9° |
| C37 | C38 | H38 | 119.5° | 120.0° |
| H39 | C39 | H39A | 106.9° | 110.3° |
| C47 | C40 | C41 | 119.9° | 120.1° |
| C47 | C40 | H40 | 120.0° | 120.0° |
| C40 | C47 | C46 | 119.8° | 120.0° |
| C40 | C47 | H47 | 120.1° | 120.0° |
| C41 | C40 | H40 | 120.1° | 119.9° |
| C40 | C41 | C42 | 120.7° | 120.1° |
| C40 | C41 | H41 | 119.6° | 120.0° |
| O40 | C48 | C49 | 118.7° | 120.0° |
| C42 | C41 | H41 | 119.7° | 120.0° |
| C41 | C42 | C45 | 119.7° | 119.9° |
| C41 | C42 | C43 | 118.8° | 120.1° |
| C45 | O41 | C49 | 123.5° | 117.0° |
| O41 | C45 | C42 | 119.0° | 120.1° |
| O41 | C45 | C46 | 121.6° | 120.1° |
| O41 | C49 | C48 | 110.1° | 109.4° |
| O41 | C49 | H49 | 109.3° | 109.5° |
| O41 | C49 | H49A | 109.3° | 109.6° |
| C45 | C42 | C43 | 121.5° | 120.0° |
| C42 | C45 | C46 | 119.3° | 119.9° |
| C42 | C43 | H43 | 109.5° | 109.5° |
| C42 | C43 | H43A | 109.5° | 109.5° |
| C42 | C43 | H43B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.4° |
| C46 | C44 | H44 | 109.5° | 109.5° |
| C46 | C44 | H44A | 109.5° | 109.5° |
| C46 | C44 | H44B | 109.5° | 109.4° |
| C44 | C46 | C45 | 122.1° | 120.0° |
| C44 | C46 | C47 | 117.3° | 120.0° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| C45 | C46 | C47 | 120.7° | 120.0° |
| C46 | C47 | H47 | 120.1° | 120.0° |
| C48 | C49 | H49 | 109.2° | 109.4° |
| C48 | C49 | H49A | 109.2° | 109.4° |
| H49 | C49 | H49A | 109.7° | 109.5° |
| S50 | C50 | N50 | 106.2° | 102.7° |
| S50 | C50 | H50 | 110.6° | 110.8° |
| S50 | C50 | H50A | 110.6° | 110.9° |
| C50 | S50 | C51 | 99.2° | 93.9° |
| N50 | C50 | H50 | 110.6° | 110.7° |
| N50 | C50 | H50A | 110.6° | 110.8° |
| C50 | N50 | C54 | 112.9° | 115.1° |
| H50 | C50 | H50A | 108.4° | 110.7° |
| N50 | C54 | C51 | 111.2° | 113.2° |
| N50 | C54 | C55 | 112.2° | 108.7° |
| N50 | C54 | H54 | 110.2° | 108.7° |
| O50 | C55 | C54 | 118.5° | 120.0° |
| S50 | C51 | C53 | 106.5° | 111.0° |
| S50 | C51 | C54 | 105.1° | 101.3° |
| S50 | C51 | C52 | 107.4° | 111.1° |
| C53 | C51 | C54 | 115.5° | 111.0° |
| C53 | C51 | C52 | 111.4° | 111.0° |
| C51 | C53 | H53 | 109.5° | 109.5° |
| C51 | C53 | H53A | 109.5° | 109.5° |
| C51 | C53 | H53B | 109.4° | 109.5° |
| C54 | C51 | C52 | 110.4° | 111.0° |
| C51 | C54 | C55 | 118.4° | 108.8° |
| C51 | C54 | H54 | 102.4° | 108.8° |
| C51 | C52 | H52 | 109.5° | 109.4° |
| C51 | C52 | H52A | 109.5° | 109.5° |
| C51 | C52 | H52B | 109.5° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.4° |
| H52 | C52 | H52B | 109.5° | 109.5° |
| H52A | C52 | H52B | 109.5° | 109.5° |
| H53 | C53 | H53A | 109.5° | 109.5° |
| H53 | C53 | H53B | 109.5° | 109.5° |
| H53A | C53 | H53B | 109.5° | 109.4° |
| C55 | C54 | H54 | 101.3° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C48 | N2 | C20 | HN2 | 180.0° | 179.6° |
| C48 | N2 | C20 | C21 | 114.4° | 85.0° |
| C48 | N2 | C20 | C28 | 125.1° | 155.0° |
| C48 | N2 | C20 | H20 | 6.9° | 34.9° |
| N2 | C48 | O40 | C49 | 179.8° | 179.9° |
| N2 | C48 | C49 | O41 | 64.7° | 180.0° |
| N2 | C48 | C49 | H49 | 55.3° | 60.0° |
| N2 | C48 | C49 | H49A | 175.4° | 60.0° |
| N2 | C20 | C21 | C28 | 121.3° | 120.0° |
| N2 | C20 | C21 | H20 | 120.5° | 119.9° |
| N2 | C20 | C28 | H20 | 120.5° | 120.0° |
| N2 | C20 | C28 | O20 | 106.7° | 62.8° |
| N2 | C20 | C21 | C22 | 81.7° | 65.0° |
| N2 | C20 | C21 | H21 | 38.3° | 55.1° |
| N2 | C20 | C21 | H21A | 158.3° | 175.0° |
| N2 | C20 | C28 | C29 | 19.3° | 177.3° |
| N2 | C20 | C28 | H28 | 133.5° | 57.3° |
| C20 | N2 | C48 | O40 | 0.3° | 0.1° |
| C20 | N2 | C48 | C49 | 179.9° | 180.0° |
| HN2 | N2 | C20 | C21 | 65.6° | 95.4° |
| HN2 | N2 | C20 | C28 | 54.9° | 24.7° |
| HN2 | N2 | C20 | H20 | 173.1° | 144.7° |
| HN2 | N2 | C48 | O40 | 179.7° | 179.7° |
| HN2 | N2 | C48 | C49 | 0.1° | 0.3° |
| C21 | C20 | C28 | H20 | 121.3° | 120.0° |
| C21 | C20 | C28 | O20 | 135.1° | 57.2° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 119.3° | 119.9° |
| C20 | C21 | C22 | C27 | 101.2° | 90.3° |
| C20 | C21 | C22 | C23 | 79.0° | 90.0° |
| C21 | C20 | C28 | C29 | 98.9° | 62.8° |
| C21 | C20 | C28 | H28 | 15.4° | 177.2° |
| C20 | C28 | O20 | C29 | 129.3° | 119.9° |
| C20 | C28 | O20 | H28 | 115.6° | 120.0° |
| C20 | C28 | O20 | HO20 | 180.0° | 60.0° |
| C28 | C20 | C21 | C22 | 157.0° | 175.0° |
| C28 | C20 | C21 | H21 | 83.0° | 64.9° |
| C28 | C20 | C21 | H21A | 37.0° | 55.0° |
| C20 | C28 | C29 | O21 | 52.0° | 101.5° |
| C20 | C28 | C29 | H28 | 114.7° | 120.0° |
| C20 | C28 | C29 | N50 | 128.6° | 78.6° |
| H20 | C20 | C28 | O20 | 13.8° | 177.2° |
| H20 | C20 | C21 | C22 | 38.8° | 54.9° |
| H20 | C20 | C21 | H21 | 158.8° | 175.0° |
| H20 | C20 | C21 | H21A | 81.2° | 65.1° |
| H20 | C20 | C28 | C29 | 139.7° | 57.2° |
| H20 | C20 | C28 | H28 | 106.0° | 62.8° |
| O20 | C28 | C29 | O21 | 73.7° | 18.5° |
| O20 | C28 | C29 | H28 | 119.7° | 120.0° |
| O20 | C28 | C29 | N50 | 105.7° | 161.4° |
| HO20 | O20 | C28 | C29 | 50.7° | 60.0° |
| HO20 | O20 | C28 | H28 | 64.4° | 180.0° |
| C22 | C21 | H21 | H21A | 119.4° | 120.0° |
| C21 | C22 | C27 | C23 | 179.8° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 0.0° | 0.1° |
| C21 | C22 | C27 | C26 | 179.9° | 179.7° |
| C21 | C22 | C27 | H27 | 0.1° | 0.3° |
| H21 | C21 | C22 | C27 | 18.8° | 149.7° |
| H21 | C21 | C22 | C23 | 161.0° | 30.0° |
| H21A | C21 | C22 | C27 | 138.8° | 29.7° |
| H21A | C21 | C22 | C23 | 41.0° | 150.0° |
| O21 | C29 | C28 | N50 | 179.4° | 179.9° |
| O21 | C29 | C28 | H28 | 166.6° | 138.5° |
| O21 | C29 | N50 | C50 | 179.4° | 175.6° |
| O21 | C29 | N50 | C54 | 0.0° | 4.4° |
| C27 | C22 | C23 | C24 | 0.2° | 0.4° |
| C27 | C22 | C23 | H23 | 179.8° | 179.7° |
| C22 | C27 | C26 | C25 | 0.0° | 0.6° |
| C22 | C27 | C26 | H27 | 180.0° | 179.5° |
| C22 | C27 | C26 | H26 | 180.0° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C22 | C27 | C26 | 0.1° | 0.6° |
| C23 | C22 | C27 | H27 | 179.9° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.7° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.2° |
| C28 | C29 | N50 | C50 | 0.0° | 4.5° |
| C28 | C29 | N50 | C54 | 179.4° | 175.5° |
| H28 | C28 | C29 | N50 | 14.0° | 41.4° |
| C29 | N50 | C50 | S50 | 155.0° | 155.1° |
| C29 | N50 | C50 | C54 | 179.5° | 179.9° |
| C29 | N50 | C50 | H50 | 85.0° | 86.5° |
| C29 | N50 | C50 | H50A | 35.0° | 36.7° |
| C29 | N50 | C54 | C51 | 162.4° | 178.9° |
| C29 | N50 | C54 | C55 | 62.4° | 57.9° |
| C29 | N50 | C54 | H54 | 49.5° | 60.1° |
| C31 | N30 | C55 | HN30 | 180.0° | 180.0° |
| N30 | C31 | C35 | O30 | 9.9° | 27.0° |
| N30 | C31 | C32 | C35 | 121.9° | 118.9° |
| N30 | C31 | C32 | H31 | 117.6° | 122.1° |
| N30 | C31 | C35 | H31 | 117.8° | 122.0° |
| N30 | C31 | C32 | C33 | 49.5° | 43.8° |
| N30 | C31 | C32 | C36 | 130.5° | 136.1° |
| N30 | C31 | C35 | C39 | 131.7° | 145.3° |
| N30 | C31 | C35 | H35 | 108.0° | 96.3° |
| C31 | N30 | C55 | O50 | 178.7° | 0.0° |
| C31 | N30 | C55 | C54 | 4.4° | 180.0° |
| C55 | N30 | C31 | C32 | 167.3° | 89.2° |
| C55 | N30 | C31 | C35 | 77.3° | 155.0° |
| C55 | N30 | C31 | H31 | 43.4° | 32.9° |
| N30 | C55 | C54 | N50 | 168.0° | 156.4° |
| N30 | C55 | O50 | C54 | 177.1° | 180.0° |
| N30 | C55 | C54 | C51 | 60.4° | 80.0° |
| N30 | C55 | C54 | H54 | 50.5° | 38.3° |
| HN30 | N30 | C31 | C32 | 12.6° | 90.8° |
| HN30 | N30 | C31 | C35 | 102.7° | 25.0° |
| HN30 | N30 | C31 | H31 | 136.6° | 147.1° |
| HN30 | N30 | C55 | O50 | 1.2° | 180.0° |
| HN30 | N30 | C55 | C54 | 175.6° | 0.0° |
| O30 | C35 | C31 | C32 | 108.5° | 91.9° |
| O30 | C35 | C31 | C39 | 121.8° | 118.3° |
| O30 | C35 | C31 | H35 | 117.8° | 123.3° |
| O30 | C35 | C31 | H31 | 127.6° | 149.1° |
| O30 | C35 | C39 | H35 | 117.9° | 123.4° |
| O30 | C35 | C39 | C36 | 110.0° | 91.9° |
| O30 | C35 | C39 | H39 | 10.0° | 27.0° |
| O30 | C35 | C39 | H39A | 129.9° | 149.2° |
| HO30 | O30 | C35 | C31 | 180.0° | 180.0° |
| HO30 | O30 | C35 | C39 | 59.4° | 67.0° |
| HO30 | O30 | C35 | H35 | 60.9° | 56.6° |
| C32 | C31 | C35 | H31 | 123.8° | 119.0° |
| C31 | C32 | C33 | C36 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 180.0° | 180.0° |
| C31 | C32 | C33 | H33 | 0.0° | 0.1° |
| C32 | C31 | C35 | C39 | 13.3° | 26.4° |
| C32 | C31 | C35 | H35 | 133.6° | 144.8° |
| C31 | C32 | C36 | C37 | 179.9° | 180.0° |
| C31 | C32 | C36 | C39 | 0.4° | 0.1° |
| C35 | C31 | C32 | C33 | 171.4° | 162.7° |
| C35 | C31 | C32 | C36 | 8.5° | 17.1° |
| C31 | C35 | C39 | H35 | 119.2° | 118.3° |
| C31 | C35 | C39 | C36 | 12.9° | 26.4° |
| C31 | C35 | C39 | H39 | 132.9° | 145.2° |
| C31 | C35 | C39 | H39A | 107.1° | 92.6° |
| H31 | C31 | C32 | C33 | 68.1° | 78.3° |
| H31 | C31 | C32 | C36 | 111.9° | 101.8° |
| H31 | C31 | C35 | C39 | 110.5° | 92.7° |
| H31 | C31 | C35 | H35 | 9.8° | 25.7° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C38 | 0.2° | 0.1° |
| C32 | C33 | C34 | H34 | 179.8° | 179.9° |
| C33 | C32 | C36 | C37 | 0.1° | 0.1° |
| C33 | C32 | C36 | C39 | 179.6° | 180.0° |
| C36 | C32 | C33 | C34 | 0.0° | 0.1° |
| C36 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C36 | C39 | C35 | 7.9° | 17.2° |
| C32 | C36 | C37 | C39 | 179.6° | 179.9° |
| C32 | C36 | C37 | C38 | 0.0° | 0.1° |
| C32 | C36 | C37 | H37 | 180.0° | 180.0° |
| C32 | C36 | C39 | H39 | 127.9° | 136.1° |
| C32 | C36 | C39 | H39A | 112.1° | 101.7° |
| C33 | C34 | C38 | H34 | 180.0° | 180.0° |
| C33 | C34 | C38 | C37 | 0.3° | 0.0° |
| C33 | C34 | C38 | H38 | 179.7° | 180.0° |
| H33 | C33 | C34 | C38 | 179.8° | 179.9° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| C34 | C38 | C37 | C36 | 0.2° | 0.0° |
| C34 | C38 | C37 | H38 | 180.0° | 180.0° |
| C34 | C38 | C37 | H37 | 179.8° | 179.9° |
| H34 | C34 | C38 | C37 | 179.7° | 180.0° |
| H34 | C34 | C38 | H38 | 0.3° | 0.0° |
| C35 | C39 | C36 | C37 | 171.7° | 162.8° |
| C35 | C39 | C36 | H39 | 120.0° | 118.9° |
| C35 | C39 | C36 | H39A | 120.0° | 119.0° |
| C35 | C39 | H39 | H39A | 122.9° | 122.2° |
| H35 | C35 | C39 | C36 | 132.1° | 144.7° |
| H35 | C35 | C39 | H39 | 107.9° | 96.4° |
| H35 | C35 | C39 | H39A | 12.1° | 25.7° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C36 | C39 | H39 | 51.7° | 44.0° |
| C37 | C36 | C39 | H39A | 68.3° | 78.2° |
| C39 | C36 | C37 | C38 | 179.7° | 180.0° |
| C39 | C36 | C37 | H37 | 0.3° | 0.1° |
| C36 | C39 | H39 | H39A | 122.9° | 122.1° |
| H37 | C37 | C38 | H38 | 0.2° | 0.1° |
| C47 | C40 | C41 | H40 | 180.0° | 179.8° |
| C47 | C40 | C41 | C42 | 0.0° | 0.1° |
| C47 | C40 | C41 | H41 | 179.9° | 180.0° |
| C40 | C47 | C46 | C44 | 179.8° | 180.0° |
| C40 | C47 | C46 | C45 | 0.3° | 0.1° |
| C40 | C47 | C46 | H47 | 180.0° | 179.9° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C45 | 0.2° | 0.1° |
| C40 | C41 | C42 | C43 | 179.8° | 180.0° |
| C41 | C40 | C47 | C46 | 0.0° | 0.1° |
| C41 | C40 | C47 | H47 | 180.0° | 180.0° |
| H40 | C40 | C41 | C42 | 179.9° | 179.7° |
| H40 | C40 | C41 | H41 | 0.1° | 0.2° |
| H40 | C40 | C47 | C46 | 180.0° | 179.7° |
| H40 | C40 | C47 | H47 | 0.0° | 0.2° |
| O40 | C48 | C49 | O41 | 115.5° | 0.0° |
| O40 | C48 | C49 | H49 | 124.5° | 119.9° |
| O40 | C48 | C49 | H49A | 4.5° | 120.1° |
| C41 | C42 | C45 | O41 | 179.3° | 179.9° |
| C41 | C42 | C45 | C43 | 180.0° | 179.9° |
| C41 | C42 | C43 | H43 | 90.0° | 90.0° |
| C41 | C42 | C43 | H43A | 150.0° | 150.0° |
| C41 | C42 | C43 | H43B | 30.0° | 30.0° |
| C41 | C42 | C45 | C46 | 0.4° | 0.1° |
| H41 | C41 | C42 | C45 | 179.9° | 180.0° |
| H41 | C41 | C42 | C43 | 0.2° | 0.1° |
| O41 | C45 | C42 | C46 | 178.9° | 180.0° |
| O41 | C45 | C42 | C43 | 0.7° | 0.0° |
| O41 | C45 | C46 | C44 | 0.8° | 0.0° |
| O41 | C45 | C46 | C47 | 179.4° | 179.9° |
| C45 | O41 | C49 | C48 | 150.5° | 180.0° |
| C45 | O41 | C49 | H49 | 89.5° | 60.0° |
| C45 | O41 | C49 | H49A | 30.5° | 60.0° |
| C49 | O41 | C45 | C42 | 105.8° | 90.0° |
| C49 | O41 | C45 | C46 | 75.3° | 90.0° |
| O41 | C49 | C48 | H49 | 120.0° | 120.0° |
| O41 | C49 | C48 | H49A | 120.0° | 120.1° |
| O41 | C49 | H49 | H49A | 119.7° | 120.1° |
| C45 | C42 | C43 | H43 | 90.0° | 90.0° |
| C45 | C42 | C43 | H43A | 30.0° | 30.0° |
| C45 | C42 | C43 | H43B | 150.0° | 150.0° |
| C42 | C45 | C46 | C44 | 179.7° | 180.0° |
| C42 | C45 | C46 | C47 | 0.5° | 0.1° |
| C42 | C43 | H43 | H43A | 120.0° | 120.0° |
| C42 | C43 | H43 | H43B | 120.0° | 120.0° |
| C42 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | C42 | C45 | C46 | 179.6° | 180.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| C46 | C44 | H44 | H44A | 120.0° | 120.0° |
| C46 | C44 | H44 | H44B | 120.0° | 119.9° |
| C46 | C44 | H44A | H44B | 120.0° | 120.0° |
| C44 | C46 | C45 | C47 | 179.8° | 179.9° |
| C44 | C46 | C47 | H47 | 0.1° | 0.1° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| H44 | C44 | C46 | C45 | 90.1° | 90.0° |
| H44 | C44 | C46 | C47 | 90.1° | 90.1° |
| H44A | C44 | C46 | C45 | 149.9° | 150.0° |
| H44A | C44 | C46 | C47 | 29.9° | 30.0° |
| H44B | C44 | C46 | C45 | 29.9° | 30.0° |
| H44B | C44 | C46 | C47 | 150.0° | 150.0° |
| C45 | C46 | C47 | H47 | 179.7° | 180.0° |
| C48 | C49 | H49 | H49A | 119.7° | 119.9° |
| S50 | C50 | N50 | H50 | 120.0° | 118.3° |
| S50 | C50 | N50 | H50A | 120.0° | 118.5° |
| S50 | C50 | H50 | H50A | 121.3° | 123.5° |
| S50 | C50 | N50 | C54 | 24.5° | 24.8° |
| C50 | S50 | C51 | C53 | 111.5° | 150.3° |
| C50 | S50 | C51 | C54 | 11.4° | 32.3° |
| C50 | S50 | C51 | C52 | 129.0° | 85.7° |
| N50 | C50 | H50 | H50A | 121.3° | 123.3° |
| N50 | C50 | S50 | C51 | 21.1° | 33.5° |
| C50 | N50 | C54 | C51 | 17.1° | 1.1° |
| C50 | N50 | C54 | C55 | 118.1° | 122.1° |
| C50 | N50 | C54 | H54 | 130.0° | 119.9° |
| H50 | C50 | N50 | C54 | 95.5° | 93.5° |
| H50 | C50 | S50 | C51 | 98.9° | 84.8° |
| H50A | C50 | N50 | C54 | 144.5° | 143.3° |
| H50A | C50 | S50 | C51 | 141.0° | 151.8° |
| N50 | C54 | C55 | O50 | 8.9° | 23.7° |
| N50 | C54 | C51 | S50 | 1.3° | 23.1° |
| N50 | C54 | C51 | C53 | 118.3° | 141.1° |
| N50 | C54 | C51 | C55 | 132.1° | 121.0° |
| N50 | C54 | C51 | H54 | 117.7° | 120.9° |
| N50 | C54 | C51 | C52 | 114.1° | 94.9° |
| N50 | C54 | C55 | H54 | 117.5° | 118.1° |
| O50 | C55 | C54 | C51 | 122.8° | 100.0° |
| O50 | C55 | C54 | H54 | 126.3° | 141.8° |
| S50 | C51 | C53 | C54 | 116.2° | 111.9° |
| S50 | C51 | C53 | C52 | 116.8° | 124.1° |
| S50 | C51 | C54 | C52 | 115.5° | 118.0° |
| S50 | C51 | C52 | H52 | 180.0° | 61.5° |
| S50 | C51 | C52 | H52A | 60.0° | 178.6° |
| S50 | C51 | C52 | H52B | 60.0° | 58.5° |
| S50 | C51 | C53 | H53 | 180.0° | 58.5° |
| S50 | C51 | C53 | H53A | 60.0° | 178.5° |
| S50 | C51 | C53 | H53B | 60.0° | 61.5° |
| S50 | C51 | C54 | C55 | 130.8° | 97.9° |
| S50 | C51 | C54 | H54 | 119.0° | 144.1° |
| C53 | C51 | C54 | C52 | 127.5° | 124.0° |
| C53 | C51 | C52 | H52 | 63.7° | 62.6° |
| C53 | C51 | C52 | H52A | 176.3° | 57.4° |
| C53 | C51 | C52 | H52B | 56.3° | 177.4° |
| C51 | C53 | H53 | H53A | 120.0° | 120.0° |
| C51 | C53 | H53 | H53B | 120.0° | 120.0° |
| C51 | C53 | H53A | H53B | 120.0° | 120.0° |
| C53 | C51 | C54 | C55 | 13.7° | 20.1° |
| C53 | C51 | C54 | H54 | 124.0° | 98.0° |
| C54 | C51 | C52 | H52 | 66.0° | 173.4° |
| C54 | C51 | C52 | H52A | 54.0° | 66.7° |
| C54 | C51 | C52 | H52B | 174.0° | 53.4° |
| C54 | C51 | C53 | H53 | 63.8° | 53.4° |
| C54 | C51 | C53 | H53A | 176.2° | 66.6° |
| C54 | C51 | C53 | H53B | 56.2° | 173.4° |
| C51 | C54 | C55 | H54 | 110.9° | 118.2° |
| C51 | C52 | H52 | H52A | 120.0° | 120.0° |
| C51 | C52 | H52 | H52B | 120.0° | 120.0° |
| C51 | C52 | H52A | H52B | 120.0° | 120.0° |
| C52 | C51 | C53 | H53 | 63.2° | 177.4° |
| C52 | C51 | C53 | H53A | 56.8° | 57.4° |
| C52 | C51 | C53 | H53B | 176.8° | 62.6° |
| C52 | C51 | C54 | C55 | 113.8° | 144.1° |
| C52 | C51 | C54 | H54 | 3.5° | 26.0° |
| H52 | C52 | H52A | H52B | 120.0° | 120.0° |
| H53 | C53 | H53A | H53B | 120.0° | 120.0° |
