QIX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.35Å | 1.44Å | |
| C10 | C12 | sing | 1.51Å | 1.56Å | |
| C10 | O11 | doub | 1.21Å | 1.19Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.36Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.47Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.41Å | 1.47Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.50Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.46Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.41Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C19 | doub | 1.36Å | 1.46Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.48Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| O54 | C52 | doub | 1.21Å | 1.20Å | |
| C52 | N53 | sing | 1.35Å | 1.50Å | |
| C52 | C46 | sing | 1.51Å | 1.56Å | |
| N53 | H531 | sing | 0.97Å | 1.00Å | |
| N53 | H532 | sing | 0.97Å | 1.00Å | |
| C46 | N45 | sing | 1.46Å | 1.49Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| N45 | C43 | sing | 1.35Å | 1.50Å | |
| N45 | HN45 | sing | 0.97Å | 1.00Å | |
| C43 | O44 | doub | 1.21Å | 1.19Å | |
| C43 | C32 | sing | 1.51Å | 1.54Å | |
| C32 | N31 | sing | 1.46Å | 1.49Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N31 | C29 | sing | 1.35Å | 1.50Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C29 | O30 | doub | 1.21Å | 1.21Å | |
| C29 | C08 | sing | 1.51Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| C08 | N09 | sing | 1.47Å | 1.46Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C05 | N04 | sing | 1.46Å | 1.48Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| N04 | C02 | sing | 1.37Å | 1.47Å | |
| N04 | HN04 | sing | 0.97Å | 1.00Å | |
| C02 | N03 | sing | 1.37Å | 1.49Å | |
| C02 | N01 | doub | 1.30Å | 1.27Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N03 | H032 | sing | 0.97Å | 1.00Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N09 | HN09 | sing | 0.97Å | 1.00Å | |
| C12 | C18 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | O15 | doub | 1.21Å | 1.18Å | |
| C14 | N16 | sing | 1.35Å | 1.44Å | |
| N16 | O17 | sing | 1.42Å | 1.41Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C10 | C12 | 121.7° | 120.0° |
| N09 | C10 | O11 | 117.8° | 120.0° |
| C10 | N09 | C08 | 119.2° | 120.0° |
| C10 | N09 | HN09 | 120.4° | 120.0° |
| C12 | C10 | O11 | 120.3° | 120.0° |
| C10 | C12 | C13 | 108.6° | 109.5° |
| C10 | C12 | C18 | 118.4° | 109.5° |
| C10 | C12 | H12 | 101.3° | 109.4° |
| C14 | C13 | C12 | 113.5° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H132 | 107.3° | 109.4° |
| C13 | C14 | O15 | 122.1° | 120.0° |
| C13 | C14 | N16 | 117.2° | 120.0° |
| C12 | C13 | H131 | 108.2° | 109.5° |
| C12 | C13 | H132 | 107.3° | 109.5° |
| C13 | C12 | C18 | 98.7° | 109.5° |
| C13 | C12 | H12 | 120.2° | 109.5° |
| H131 | C13 | H132 | 112.6° | 109.5° |
| C21 | C20 | C19 | 124.5° | 121.0° |
| C21 | C20 | H20 | 117.8° | 119.5° |
| C20 | C21 | C22 | 115.3° | 119.7° |
| C20 | C21 | H21 | 122.3° | 120.1° |
| C19 | C20 | H20 | 117.7° | 119.5° |
| C20 | C19 | C28 | 122.2° | 121.0° |
| C20 | C19 | C18 | 107.1° | 119.5° |
| C22 | C21 | H21 | 122.4° | 120.2° |
| C21 | C22 | C23 | 114.6° | 121.3° |
| C21 | C22 | C27 | 120.7° | 119.4° |
| C23 | C22 | C27 | 124.7° | 119.4° |
| C22 | C23 | C24 | 118.0° | 119.6° |
| C22 | C23 | H23 | 121.0° | 120.2° |
| C22 | C27 | C26 | 116.3° | 119.4° |
| C22 | C27 | C28 | 124.1° | 119.3° |
| C23 | C24 | C25 | 117.6° | 121.0° |
| C23 | C24 | H24 | 121.2° | 119.5° |
| C24 | C23 | H23 | 121.0° | 120.2° |
| C25 | C24 | H24 | 121.2° | 119.5° |
| C24 | C25 | C26 | 124.8° | 121.0° |
| C24 | C25 | H25 | 117.6° | 119.5° |
| C27 | C26 | C25 | 118.6° | 119.7° |
| C27 | C26 | H26 | 120.7° | 120.1° |
| C26 | C27 | C28 | 119.6° | 121.3° |
| C25 | C26 | H26 | 120.7° | 120.2° |
| C26 | C25 | H25 | 117.6° | 119.5° |
| C19 | C28 | C27 | 113.2° | 119.7° |
| C19 | C28 | H28 | 123.4° | 120.1° |
| C28 | C19 | C18 | 130.6° | 119.5° |
| C27 | C28 | H28 | 123.4° | 120.2° |
| O54 | C52 | N53 | 119.8° | 119.9° |
| O54 | C52 | C46 | 118.7° | 120.0° |
| N53 | C52 | C46 | 120.5° | 120.0° |
| C52 | N53 | H531 | 110.2° | 120.0° |
| C52 | N53 | H532 | 124.9° | 120.0° |
| C52 | C46 | N45 | 113.1° | 109.5° |
| C52 | C46 | H461 | 108.3° | 109.4° |
| C52 | C46 | H462 | 107.5° | 109.5° |
| H531 | N53 | H532 | 124.9° | 120.0° |
| N45 | C46 | H461 | 108.3° | 109.5° |
| N45 | C46 | H462 | 107.5° | 109.5° |
| C46 | N45 | C43 | 127.5° | 120.0° |
| C46 | N45 | HN45 | 116.2° | 120.0° |
| H461 | C46 | H462 | 112.3° | 109.5° |
| C43 | N45 | HN45 | 116.3° | 120.0° |
| N45 | C43 | O44 | 122.1° | 120.0° |
| N45 | C43 | C32 | 116.4° | 120.1° |
| O44 | C43 | C32 | 115.1° | 119.9° |
| C43 | C32 | N31 | 99.3° | 109.5° |
| C43 | C32 | H321 | 113.0° | 109.4° |
| C43 | C32 | H322 | 115.1° | 109.4° |
| N31 | C32 | H321 | 113.0° | 109.5° |
| N31 | C32 | H322 | 115.1° | 109.5° |
| C32 | N31 | C29 | 122.2° | 120.0° |
| C32 | N31 | HN31 | 118.9° | 120.0° |
| H321 | C32 | H322 | 101.9° | 109.4° |
| C29 | N31 | HN31 | 118.9° | 120.0° |
| N31 | C29 | O30 | 121.8° | 120.0° |
| N31 | C29 | C08 | 118.3° | 120.0° |
| O30 | C29 | C08 | 119.8° | 120.0° |
| C29 | C08 | C07 | 116.2° | 109.5° |
| C29 | C08 | N09 | 106.9° | 109.5° |
| C29 | C08 | H08 | 104.6° | 109.5° |
| C07 | C08 | N09 | 101.8° | 109.4° |
| C07 | C08 | H08 | 109.5° | 109.5° |
| C08 | C07 | C06 | 105.6° | 109.4° |
| C08 | C07 | H071 | 110.8° | 109.5° |
| C08 | C07 | H072 | 111.6° | 109.4° |
| N09 | C08 | H08 | 118.4° | 109.5° |
| C08 | N09 | HN09 | 120.4° | 120.0° |
| C06 | C07 | H071 | 110.8° | 109.5° |
| C06 | C07 | H072 | 111.6° | 109.4° |
| C07 | C06 | C05 | 112.4° | 109.5° |
| C07 | C06 | H061 | 108.5° | 109.5° |
| C07 | C06 | H062 | 107.8° | 109.5° |
| H071 | C07 | H072 | 106.5° | 109.5° |
| C05 | C06 | H061 | 108.5° | 109.4° |
| C05 | C06 | H062 | 107.8° | 109.4° |
| C06 | C05 | N04 | 103.3° | 109.5° |
| C06 | C05 | H051 | 111.6° | 109.5° |
| C06 | C05 | H052 | 112.9° | 109.5° |
| H061 | C06 | H062 | 111.8° | 109.5° |
| N04 | C05 | H051 | 111.6° | 109.4° |
| N04 | C05 | H052 | 112.9° | 109.5° |
| C05 | N04 | C02 | 114.0° | 120.0° |
| C05 | N04 | HN04 | 123.0° | 120.0° |
| H051 | C05 | H052 | 104.8° | 109.5° |
| C02 | N04 | HN04 | 123.0° | 120.0° |
| N04 | C02 | N03 | 121.1° | 120.0° |
| N04 | C02 | N01 | 116.4° | 120.0° |
| N03 | C02 | N01 | 120.9° | 120.0° |
| C02 | N03 | H031 | 107.1° | 120.0° |
| C02 | N03 | H032 | 126.5° | 120.0° |
| C02 | N01 | HN01 | 107.6° | 120.0° |
| H031 | N03 | H032 | 126.4° | 120.0° |
| C18 | C12 | H12 | 110.7° | 109.5° |
| C12 | C18 | C19 | 107.6° | 109.5° |
| C12 | C18 | H181 | 110.1° | 109.5° |
| C12 | C18 | H182 | 110.6° | 109.5° |
| O15 | C14 | N16 | 120.6° | 120.0° |
| C14 | N16 | O17 | 117.0° | 120.0° |
| C14 | N16 | HN16 | 121.5° | 120.0° |
| O17 | N16 | HN16 | 121.5° | 120.0° |
| N16 | O17 | HO17 | 109.5° | 114.0° |
| C19 | C18 | H181 | 110.1° | 109.5° |
| C19 | C18 | H182 | 110.5° | 109.5° |
| H181 | C18 | H182 | 108.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C10 | C12 | O11 | 174.2° | 179.8° |
| N09 | C10 | C12 | C13 | 52.9° | 117.9° |
| C10 | N09 | C08 | C29 | 101.3° | 155.0° |
| C10 | N09 | C08 | C07 | 136.3° | 85.1° |
| C10 | N09 | C08 | HN09 | 180.0° | 179.9° |
| C10 | N09 | C08 | H08 | 16.3° | 34.9° |
| N09 | C10 | C12 | C18 | 58.4° | 122.1° |
| N09 | C10 | C12 | H12 | 179.6° | 2.1° |
| C10 | C12 | C13 | C14 | 114.3° | 173.7° |
| C10 | C12 | C13 | C18 | 124.0° | 120.0° |
| C10 | C12 | C13 | H12 | 115.7° | 120.0° |
| C10 | C12 | C13 | H131 | 125.7° | 53.7° |
| C10 | C12 | C13 | H132 | 4.0° | 66.3° |
| C12 | C10 | N09 | C08 | 173.6° | 180.0° |
| C12 | C10 | N09 | HN09 | 6.4° | 0.1° |
| C10 | C12 | C18 | H12 | 116.2° | 120.0° |
| C10 | C12 | C18 | C19 | 57.3° | 65.4° |
| C10 | C12 | C18 | H181 | 177.3° | 174.5° |
| C10 | C12 | C18 | H182 | 63.5° | 54.6° |
| O11 | C10 | C12 | C13 | 121.3° | 62.3° |
| O11 | C10 | N09 | C08 | 12.1° | 0.2° |
| O11 | C10 | N09 | HN09 | 168.0° | 179.7° |
| O11 | C10 | C12 | C18 | 127.4° | 57.7° |
| O11 | C10 | C12 | H12 | 6.2° | 177.7° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C14 | C13 | C12 | H132 | 118.3° | 119.9° |
| C14 | C13 | H131 | H132 | 118.4° | 120.0° |
| C14 | C13 | C12 | C18 | 121.7° | 66.3° |
| C14 | C13 | C12 | H12 | 1.5° | 53.8° |
| C13 | C14 | O15 | N16 | 176.3° | 180.0° |
| C13 | C14 | N16 | O17 | 176.8° | 179.9° |
| C13 | C14 | N16 | HN16 | 3.2° | 0.0° |
| C12 | C13 | H131 | H132 | 118.4° | 120.0° |
| C13 | C12 | C18 | H12 | 127.1° | 120.0° |
| C12 | C13 | C14 | O15 | 72.6° | 6.0° |
| C12 | C13 | C14 | N16 | 103.8° | 174.1° |
| C13 | C12 | C18 | C19 | 174.0° | 174.6° |
| C13 | C12 | C18 | H181 | 66.0° | 54.5° |
| C13 | C12 | C18 | H182 | 53.2° | 65.4° |
| H131 | C13 | C12 | C18 | 1.7° | 173.7° |
| H131 | C13 | C12 | H12 | 118.5° | 66.3° |
| H131 | C13 | C14 | O15 | 167.4° | 114.1° |
| H131 | C13 | C14 | N16 | 16.2° | 65.9° |
| H132 | C13 | C12 | C18 | 120.0° | 53.7° |
| H132 | C13 | C12 | H12 | 119.7° | 173.7° |
| H132 | C13 | C14 | O15 | 45.6° | 125.9° |
| H132 | C13 | C14 | N16 | 137.9° | 54.1° |
| C21 | C20 | C19 | H20 | 180.0° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C22 | C27 | 0.5° | 0.1° |
| C21 | C20 | C19 | C28 | 0.6° | 0.0° |
| C21 | C20 | C19 | C18 | 177.6° | 179.9° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C20 | C19 | C28 | C18 | 176.2° | 179.9° |
| C20 | C19 | C28 | C27 | 0.0° | 0.0° |
| C20 | C19 | C28 | H28 | 180.0° | 180.0° |
| C20 | C19 | C18 | C12 | 103.8° | 88.9° |
| C20 | C19 | C18 | H181 | 136.2° | 31.1° |
| C20 | C19 | C18 | H182 | 17.0° | 151.0° |
| H20 | C20 | C21 | C22 | 179.2° | 179.8° |
| H20 | C20 | C21 | H21 | 0.7° | 0.1° |
| H20 | C20 | C19 | C28 | 179.5° | 179.8° |
| H20 | C20 | C19 | C18 | 2.5° | 0.3° |
| C21 | C22 | C23 | C27 | 178.8° | 180.0° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C27 | C26 | 179.9° | 180.0° |
| C21 | C22 | C27 | C28 | 0.0° | 0.1° |
| C21 | C22 | C23 | H23 | 0.0° | 0.0° |
| H21 | C21 | C22 | C23 | 0.6° | 0.1° |
| H21 | C21 | C22 | C27 | 179.5° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.6° | 0.1° |
| C22 | C23 | C24 | H24 | 179.4° | 180.0° |
| C23 | C22 | C27 | C26 | 1.3° | 0.1° |
| C23 | C22 | C27 | C28 | 178.8° | 180.0° |
| C27 | C22 | C23 | C24 | 1.2° | 0.1° |
| C22 | C27 | C26 | C28 | 179.9° | 179.9° |
| C22 | C27 | C26 | C25 | 0.3° | 0.0° |
| C22 | C27 | C26 | H26 | 179.7° | 180.0° |
| C22 | C27 | C28 | C19 | 0.2° | 0.0° |
| C22 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C22 | C23 | H23 | 178.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.3° | 0.0° |
| C23 | C24 | C25 | H25 | 177.7° | 179.9° |
| C24 | C25 | C26 | C27 | 2.2° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 177.8° | 180.0° |
| C25 | C24 | C23 | H23 | 179.4° | 180.0° |
| H24 | C24 | C25 | C26 | 177.7° | 180.0° |
| H24 | C24 | C25 | H25 | 2.3° | 0.0° |
| H24 | C24 | C23 | H23 | 0.6° | 0.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | C19 | 179.7° | 179.9° |
| C26 | C27 | C28 | H28 | 0.3° | 0.0° |
| C27 | C26 | C25 | H25 | 177.8° | 179.9° |
| C25 | C26 | C27 | C28 | 179.6° | 179.9° |
| H26 | C26 | C27 | C28 | 0.4° | 0.1° |
| H26 | C26 | C25 | H25 | 2.2° | 0.1° |
| C19 | C28 | C27 | H28 | 180.0° | 180.0° |
| C28 | C19 | C18 | C12 | 72.9° | 91.0° |
| C28 | C19 | C18 | H181 | 47.1° | 149.0° |
| C28 | C19 | C18 | H182 | 166.3° | 29.1° |
| C27 | C28 | C19 | C18 | 176.3° | 179.9° |
| H28 | C28 | C19 | C18 | 3.7° | 0.1° |
| O54 | C52 | N53 | C46 | 168.7° | 180.0° |
| O54 | C52 | N53 | H531 | 180.0° | 0.1° |
| O54 | C52 | N53 | H532 | 0.0° | 180.0° |
| O54 | C52 | C46 | N45 | 55.2° | 0.0° |
| O54 | C52 | C46 | H461 | 64.8° | 120.0° |
| O54 | C52 | C46 | H462 | 173.7° | 120.0° |
| C52 | N53 | H531 | H532 | 180.0° | 179.9° |
| N53 | C52 | C46 | N45 | 136.0° | 180.0° |
| N53 | C52 | C46 | H461 | 104.0° | 60.0° |
| N53 | C52 | C46 | H462 | 17.6° | 60.0° |
| C46 | C52 | N53 | H531 | 11.3° | 179.9° |
| C46 | C52 | N53 | H532 | 168.7° | 0.0° |
| C52 | C46 | N45 | H461 | 120.0° | 119.9° |
| C52 | C46 | N45 | H462 | 118.4° | 120.0° |
| C52 | C46 | H461 | H462 | 118.5° | 120.0° |
| C52 | C46 | N45 | C43 | 75.3° | 180.0° |
| C52 | C46 | N45 | HN45 | 104.7° | 0.0° |
| N45 | C46 | H461 | H462 | 118.5° | 120.1° |
| C46 | N45 | C43 | HN45 | 180.0° | 180.0° |
| C46 | N45 | C43 | O44 | 12.3° | 0.0° |
| C46 | N45 | C43 | C32 | 162.7° | 180.0° |
| H461 | C46 | N45 | C43 | 164.7° | 60.0° |
| H461 | C46 | N45 | HN45 | 15.3° | 120.0° |
| H462 | C46 | N45 | C43 | 43.2° | 60.0° |
| H462 | C46 | N45 | HN45 | 136.8° | 120.0° |
| N45 | C43 | O44 | C32 | 150.7° | 180.0° |
| N45 | C43 | C32 | N31 | 92.0° | 180.0° |
| N45 | C43 | C32 | H321 | 148.0° | 59.9° |
| N45 | C43 | C32 | H322 | 31.4° | 60.0° |
| HN45 | N45 | C43 | O44 | 167.7° | 180.0° |
| HN45 | N45 | C43 | C32 | 17.3° | 0.0° |
| O44 | C43 | C32 | N31 | 60.4° | 0.1° |
| O44 | C43 | C32 | H321 | 59.6° | 120.0° |
| O44 | C43 | C32 | H322 | 176.1° | 120.1° |
| C43 | C32 | N31 | H321 | 120.0° | 120.0° |
| C43 | C32 | N31 | H322 | 123.4° | 120.0° |
| C43 | C32 | H321 | H322 | 124.1° | 119.9° |
| C43 | C32 | N31 | C29 | 81.6° | 180.0° |
| C43 | C32 | N31 | HN31 | 98.3° | 0.1° |
| N31 | C32 | H321 | H322 | 124.1° | 120.0° |
| C32 | N31 | C29 | HN31 | 180.0° | 179.9° |
| C32 | N31 | C29 | O30 | 5.5° | 0.0° |
| C32 | N31 | C29 | C08 | 178.3° | 180.0° |
| H321 | C32 | N31 | C29 | 158.4° | 60.0° |
| H321 | C32 | N31 | HN31 | 21.7° | 120.0° |
| H322 | C32 | N31 | C29 | 41.8° | 60.0° |
| H322 | C32 | N31 | HN31 | 138.2° | 120.0° |
| N31 | C29 | O30 | C08 | 176.1° | 180.0° |
| N31 | C29 | C08 | C07 | 112.5° | 60.0° |
| N31 | C29 | C08 | N09 | 134.6° | 180.0° |
| N31 | C29 | C08 | H08 | 8.3° | 60.0° |
| HN31 | N31 | C29 | O30 | 174.5° | 180.0° |
| HN31 | N31 | C29 | C08 | 1.6° | 0.0° |
| O30 | C29 | C08 | C07 | 71.2° | 120.0° |
| O30 | C29 | C08 | N09 | 41.6° | 0.0° |
| O30 | C29 | C08 | H08 | 167.9° | 120.0° |
| C29 | C08 | C07 | N09 | 115.7° | 120.0° |
| C29 | C08 | C07 | H08 | 118.2° | 120.0° |
| C29 | C08 | N09 | H08 | 117.6° | 120.1° |
| C29 | C08 | C07 | C06 | 112.0° | 175.0° |
| C29 | C08 | C07 | H071 | 128.0° | 65.0° |
| C29 | C08 | C07 | H072 | 9.5° | 55.0° |
| C29 | C08 | N09 | HN09 | 78.7° | 24.9° |
| C07 | C08 | N09 | H08 | 120.0° | 120.0° |
| C08 | C07 | C06 | H071 | 120.0° | 120.0° |
| C08 | C07 | C06 | H072 | 121.5° | 119.9° |
| C08 | C07 | H071 | H072 | 121.6° | 120.0° |
| C08 | C07 | C06 | C05 | 154.4° | 180.0° |
| C08 | C07 | C06 | H061 | 85.5° | 60.0° |
| C08 | C07 | C06 | H062 | 35.7° | 60.1° |
| C07 | C08 | N09 | HN09 | 43.7° | 95.0° |
| N09 | C08 | C07 | C06 | 132.3° | 65.0° |
| N09 | C08 | C07 | H071 | 12.3° | 55.0° |
| N09 | C08 | C07 | H072 | 106.2° | 175.0° |
| H08 | C08 | C07 | C06 | 6.2° | 54.9° |
| H08 | C08 | C07 | H071 | 113.8° | 175.0° |
| H08 | C08 | C07 | H072 | 127.7° | 65.0° |
| H08 | C08 | N09 | HN09 | 163.7° | 145.0° |
| C06 | C07 | H071 | H072 | 121.6° | 120.0° |
| C07 | C06 | C05 | H061 | 120.0° | 120.0° |
| C07 | C06 | C05 | H062 | 118.7° | 120.0° |
| C07 | C06 | H061 | H062 | 118.8° | 120.1° |
| C07 | C06 | C05 | N04 | 147.8° | 180.0° |
| C07 | C06 | C05 | H051 | 27.8° | 60.0° |
| C07 | C06 | C05 | H052 | 89.9° | 60.0° |
| H071 | C07 | C06 | C05 | 34.5° | 60.0° |
| H071 | C07 | C06 | H061 | 154.5° | NaN° |
| H071 | C07 | C06 | H062 | 84.3° | 59.9° |
| H072 | C07 | C06 | C05 | 84.1° | 60.0° |
| H072 | C07 | C06 | H061 | 36.0° | 59.9° |
| H072 | C07 | C06 | H062 | 157.2° | 180.0° |
| C05 | C06 | H061 | H062 | 118.8° | 119.9° |
| C06 | C05 | N04 | H051 | 120.0° | 120.0° |
| C06 | C05 | N04 | H052 | 122.2° | 120.0° |
| C06 | C05 | H051 | H052 | 122.5° | 120.0° |
| C06 | C05 | N04 | C02 | 129.7° | 180.0° |
| C06 | C05 | N04 | HN04 | 50.3° | 0.1° |
| H061 | C06 | C05 | N04 | 92.2° | 60.0° |
| H061 | C06 | C05 | H051 | 147.8° | 180.0° |
| H061 | C06 | C05 | H052 | 30.0° | 60.0° |
| H062 | C06 | C05 | N04 | 29.1° | 60.0° |
| H062 | C06 | C05 | H051 | 90.9° | 60.0° |
| H062 | C06 | C05 | H052 | 151.3° | 180.0° |
| N04 | C05 | H051 | H052 | 122.5° | 120.0° |
| C05 | N04 | C02 | HN04 | 180.0° | 179.9° |
| C05 | N04 | C02 | N03 | 72.0° | 179.9° |
| C05 | N04 | C02 | N01 | 122.5° | 0.0° |
| H051 | C05 | N04 | C02 | 110.3° | 60.0° |
| H051 | C05 | N04 | HN04 | 69.7° | 120.1° |
| H052 | C05 | N04 | C02 | 7.4° | 60.0° |
| H052 | C05 | N04 | HN04 | 172.6° | 120.0° |
| N04 | C02 | N03 | N01 | 164.8° | 179.9° |
| N04 | C02 | N03 | H031 | 180.0° | 0.1° |
| N04 | C02 | N03 | H032 | 0.0° | 180.0° |
| N04 | C02 | N01 | HN01 | 6.6° | 0.0° |
| HN04 | N04 | C02 | N03 | 108.0° | 0.0° |
| HN04 | N04 | C02 | N01 | 57.5° | 179.9° |
| C02 | N03 | H031 | H032 | 180.0° | 179.9° |
| N03 | C02 | N01 | HN01 | 172.1° | 180.0° |
| N01 | C02 | N03 | H031 | 15.2° | 180.0° |
| N01 | C02 | N03 | H032 | 164.9° | 0.1° |
| C12 | C18 | C19 | H181 | 120.0° | 120.0° |
| C12 | C18 | C19 | H182 | 120.8° | 120.0° |
| C12 | C18 | H181 | H182 | 120.8° | 120.0° |
| H12 | C12 | C18 | C19 | 59.0° | 54.5° |
| H12 | C12 | C18 | H181 | 61.1° | 65.5° |
| H12 | C12 | C18 | H182 | 179.7° | 174.6° |
| O15 | C14 | N16 | O17 | 0.3° | 0.0° |
| O15 | C14 | N16 | HN16 | 179.7° | 180.0° |
| C14 | N16 | O17 | HN16 | 180.0° | 179.9° |
| C14 | N16 | O17 | HO17 | 106.6° | 180.0° |
| HN16 | N16 | O17 | HO17 | 73.5° | 0.1° |
| C19 | C18 | H181 | H182 | 120.8° | 120.0° |
