R8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N20 | sing | 1.33Å | 1.36Å | Aromatic |
| C21 | N22 | doub | 1.31Å | 1.33Å | Aromatic |
| N20 | C19 | doub | 1.31Å | 1.36Å | Aromatic |
| N22 | N18 | sing | 1.40Å | 1.33Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C16 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| O26 | C25 | doub | 1.22Å | 1.25Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | O27 | sing | 1.35Å | 1.25Å | |
| C25 | C11 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.33Å | Aromatic |
| C12 | C08 | sing | 1.47Å | 1.43Å | Aromatic |
| N10 | C09 | sing | 1.38Å | 1.35Å | Aromatic |
| C08 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O27 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C21 | N22 | 108.5° | 109.0° |
| C21 | N20 | C19 | 107.2° | 109.8° |
| N20 | C21 | H211 | 125.8° | 125.5° |
| C21 | N22 | N18 | 107.7° | 106.7° |
| N22 | C21 | H211 | 125.8° | 125.5° |
| N20 | C19 | N18 | 107.1° | 108.1° |
| N20 | C19 | H191 | 126.5° | 126.0° |
| N22 | N18 | C19 | 109.6° | 106.4° |
| N22 | N18 | C17 | 123.9° | 126.8° |
| C19 | N18 | C17 | 126.5° | 126.8° |
| N18 | C19 | H191 | 126.5° | 126.0° |
| N18 | C17 | C16 | 108.0° | 109.5° |
| N18 | C17 | H171 | 109.8° | 109.5° |
| N18 | C17 | H172 | 109.8° | 109.4° |
| C17 | C16 | C15 | 118.3° | 119.9° |
| C17 | C16 | C23 | 121.5° | 119.9° |
| C16 | C17 | H171 | 109.8° | 109.5° |
| C16 | C17 | H172 | 109.8° | 109.5° |
| C15 | C16 | C23 | 120.2° | 120.3° |
| C16 | C15 | C14 | 119.8° | 120.2° |
| C16 | C15 | H151 | 120.1° | 119.9° |
| C16 | C23 | C24 | 119.8° | 120.2° |
| C16 | C23 | H231 | 120.1° | 119.9° |
| O26 | C25 | O27 | 122.7° | 120.1° |
| O26 | C25 | C11 | 119.4° | 120.0° |
| C15 | C14 | C13 | 119.9° | 119.9° |
| C15 | C14 | H141 | 120.0° | 120.1° |
| C14 | C15 | H151 | 120.1° | 119.9° |
| C23 | C24 | C13 | 119.6° | 119.9° |
| C24 | C23 | H231 | 120.1° | 119.9° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C14 | C13 | C24 | 120.6° | 119.7° |
| C14 | C13 | C12 | 119.1° | 120.2° |
| C13 | C14 | H141 | 120.0° | 120.0° |
| C24 | C13 | C12 | 120.3° | 120.1° |
| C13 | C24 | H241 | 120.2° | 120.1° |
| O27 | C25 | C11 | 117.7° | 120.0° |
| C25 | O27 | H1 | 109.5° | 114.0° |
| C25 | C11 | C12 | 129.6° | 125.5° |
| C25 | C11 | N10 | 121.0° | 125.5° |
| C13 | C12 | C11 | 128.6° | 126.8° |
| C13 | C12 | C08 | 125.1° | 126.8° |
| C12 | C11 | N10 | 109.4° | 109.0° |
| C11 | C12 | C08 | 106.3° | 106.4° |
| C11 | N10 | C09 | 110.2° | 110.1° |
| C11 | N10 | H101 | 124.9° | 125.0° |
| C12 | C08 | C09 | 105.7° | 106.5° |
| C12 | C08 | C07 | 132.9° | 133.6° |
| N10 | C09 | C08 | 108.3° | 108.0° |
| N10 | C09 | C04 | 130.8° | 132.8° |
| C09 | N10 | H101 | 124.9° | 124.9° |
| C09 | C08 | C07 | 121.4° | 120.0° |
| C08 | C09 | C04 | 120.8° | 119.2° |
| C08 | C07 | C06 | 117.7° | 119.8° |
| C08 | C07 | H071 | 121.1° | 120.1° |
| C09 | C04 | C02 | 118.4° | 120.1° |
| C09 | C04 | C05 | 117.7° | 119.8° |
| C07 | C06 | C05 | 121.1° | 120.5° |
| C07 | C06 | H061 | 119.5° | 119.7° |
| C06 | C07 | H071 | 121.1° | 120.1° |
| C02 | C04 | C05 | 124.0° | 120.1° |
| C04 | C02 | C03 | 110.6° | 109.5° |
| C04 | C02 | C01 | 113.9° | 109.5° |
| C04 | C02 | H021 | 107.1° | 109.5° |
| C04 | C05 | C06 | 121.3° | 120.6° |
| C04 | C05 | H051 | 119.4° | 119.7° |
| C06 | C05 | H051 | 119.3° | 119.7° |
| C05 | C06 | H061 | 119.4° | 119.7° |
| C03 | C02 | C01 | 110.2° | 109.5° |
| C03 | C02 | H021 | 107.4° | 109.4° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.3° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C21 | N22 | H211 | 180.0° | 179.7° |
| N20 | C21 | N22 | N18 | 0.5° | 0.4° |
| C21 | N20 | C19 | N18 | 0.2° | 0.0° |
| C21 | N20 | C19 | H191 | 179.8° | 179.8° |
| N22 | C21 | N20 | C19 | 0.2° | 0.3° |
| C21 | N22 | N18 | C19 | 0.6° | 0.4° |
| C21 | N22 | N18 | C17 | 179.0° | 179.5° |
| N20 | C19 | N18 | N22 | 0.5° | 0.2° |
| N20 | C19 | N18 | H191 | 180.0° | 179.8° |
| N20 | C19 | N18 | C17 | 178.9° | 179.7° |
| C19 | N20 | C21 | H211 | 179.8° | 180.0° |
| N22 | N18 | C19 | C17 | 178.4° | 179.9° |
| N22 | N18 | C17 | C16 | 73.8° | 54.9° |
| N22 | N18 | C19 | H191 | 179.5° | 180.0° |
| N18 | N22 | C21 | H211 | 179.5° | 179.9° |
| N22 | N18 | C17 | H171 | 46.0° | 175.0° |
| N22 | N18 | C17 | H172 | 166.4° | 65.1° |
| C19 | N18 | C17 | C16 | 104.3° | 125.0° |
| C19 | N18 | C17 | H171 | 135.9° | 4.9° |
| C19 | N18 | C17 | H172 | 15.4° | 115.0° |
| N18 | C17 | C16 | H171 | 119.8° | 120.0° |
| N18 | C17 | C16 | H172 | 119.8° | 120.0° |
| N18 | C17 | C16 | C15 | 47.3° | 90.0° |
| N18 | C17 | C16 | C23 | 132.4° | 90.0° |
| C17 | N18 | C19 | H191 | 1.1° | 0.1° |
| N18 | C17 | H171 | H172 | 120.7° | 120.0° |
| C17 | C16 | C15 | C23 | 179.7° | 179.9° |
| C17 | C16 | C15 | C14 | 179.9° | 179.4° |
| C17 | C16 | C23 | C24 | 179.8° | 179.9° |
| C17 | C16 | C23 | H231 | 0.2° | 0.3° |
| C17 | C16 | C15 | H151 | 0.1° | 0.2° |
| C16 | C17 | H171 | H172 | 120.7° | 120.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.2° |
| C15 | C16 | C23 | C24 | 0.1° | 0.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.8° |
| C15 | C16 | C23 | H231 | 179.9° | 179.7° |
| C16 | C15 | C14 | H141 | 179.5° | 179.7° |
| C15 | C16 | C17 | H171 | 167.1° | 150.0° |
| C15 | C16 | C17 | H172 | 72.4° | 30.0° |
| C23 | C16 | C15 | C14 | 0.2° | 0.5° |
| C16 | C23 | C24 | H231 | 180.0° | 179.7° |
| C16 | C23 | C24 | C13 | 0.4° | 0.2° |
| C23 | C16 | C15 | H151 | 179.8° | 179.7° |
| C23 | C16 | C17 | H171 | 12.7° | 30.1° |
| C23 | C16 | C17 | H172 | 107.8° | 150.0° |
| C16 | C23 | C24 | H241 | 179.6° | 179.7° |
| O26 | C25 | O27 | C11 | 174.5° | 180.0° |
| O26 | C25 | C11 | C12 | 30.5° | 0.0° |
| O26 | C25 | C11 | N10 | 148.9° | 179.4° |
| O26 | C25 | O27 | H1 | 0.0° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 179.4° |
| C15 | C14 | C13 | C24 | 0.8° | 0.6° |
| C15 | C14 | C13 | C12 | 178.7° | 179.5° |
| C23 | C24 | C13 | C14 | 0.7° | 0.0° |
| C23 | C24 | C13 | H241 | 180.0° | 179.9° |
| C23 | C24 | C13 | C12 | 178.6° | 180.0° |
| C14 | C13 | C24 | C12 | 177.9° | 179.9° |
| C14 | C13 | C12 | C11 | 50.8° | 64.9° |
| C14 | C13 | C12 | C08 | 126.4° | 115.6° |
| C13 | C14 | C15 | H151 | 179.5° | 180.0° |
| C14 | C13 | C24 | H241 | 179.3° | 180.0° |
| C24 | C13 | C12 | C11 | 131.3° | 115.1° |
| C24 | C13 | C12 | C08 | 51.6° | 64.4° |
| C13 | C24 | C23 | H231 | 179.7° | 180.0° |
| C24 | C13 | C14 | H141 | 179.2° | 180.0° |
| O27 | C25 | C11 | C12 | 154.8° | 180.0° |
| O27 | C25 | C11 | N10 | 25.9° | 0.6° |
| C25 | C11 | C12 | C13 | 4.2° | 0.4° |
| C25 | C11 | C12 | N10 | 179.4° | 179.5° |
| C25 | C11 | C12 | C08 | 178.2° | 180.0° |
| C25 | C11 | N10 | C09 | 177.2° | 179.6° |
| C25 | C11 | N10 | H101 | 2.8° | 0.4° |
| C11 | C25 | O27 | H1 | 174.6° | 180.0° |
| C13 | C12 | C11 | C08 | 177.6° | 179.6° |
| C13 | C12 | C11 | N10 | 176.3° | 180.0° |
| C13 | C12 | C08 | C09 | 177.9° | 179.5° |
| C13 | C12 | C08 | C07 | 2.2° | 0.2° |
| C12 | C13 | C14 | H141 | 1.3° | 0.1° |
| C12 | C13 | C24 | H241 | 1.4° | 0.1° |
| C12 | C11 | N10 | C09 | 2.3° | 0.8° |
| C11 | C12 | C08 | C09 | 0.2° | 0.0° |
| C11 | C12 | C08 | C07 | 179.9° | 179.4° |
| C12 | C11 | N10 | H101 | 177.7° | 180.0° |
| N10 | C11 | C12 | C08 | 1.2° | 0.5° |
| C11 | N10 | C09 | H101 | 180.0° | 179.2° |
| C11 | N10 | C09 | C08 | 2.4° | 0.9° |
| C11 | N10 | C09 | C04 | 178.7° | 179.7° |
| C12 | C08 | C09 | N10 | 1.5° | 0.5° |
| C12 | C08 | C09 | C07 | 179.9° | 179.4° |
| C12 | C08 | C09 | C04 | 179.5° | 179.9° |
| C12 | C08 | C07 | C06 | 179.1° | 179.6° |
| C12 | C08 | C07 | H071 | 0.9° | 0.5° |
| N10 | C09 | C08 | C04 | 179.0° | 179.5° |
| N10 | C09 | C08 | C07 | 178.6° | 180.0° |
| N10 | C09 | C04 | C02 | 2.5° | 0.4° |
| N10 | C09 | C04 | C05 | 179.1° | 179.9° |
| C09 | C08 | C07 | C06 | 0.8° | 0.3° |
| C08 | C09 | C04 | C02 | 178.8° | 179.8° |
| C08 | C09 | C04 | C05 | 0.3° | 0.5° |
| C09 | C08 | C07 | H071 | 179.2° | 179.8° |
| C08 | C09 | N10 | H101 | 177.6° | 179.9° |
| C07 | C08 | C09 | C04 | 0.4° | 0.5° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.4° | 0.1° |
| C08 | C07 | C06 | H061 | 179.6° | 179.9° |
| C09 | C04 | C02 | C05 | 178.4° | 179.7° |
| C09 | C04 | C05 | C06 | 0.7° | 0.3° |
| C09 | C04 | C02 | C03 | 81.7° | 120.3° |
| C09 | C04 | C02 | C01 | 153.6° | 119.7° |
| C09 | C04 | C02 | H021 | 35.1° | 0.3° |
| C09 | C04 | C05 | H051 | 179.3° | 179.8° |
| C04 | C09 | N10 | H101 | 1.3° | 0.5° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.6° | 180.0° |
| C02 | C04 | C05 | C06 | 179.1° | 180.0° |
| C04 | C02 | C03 | C01 | 126.9° | 120.0° |
| C04 | C02 | C03 | H021 | 116.5° | 120.0° |
| C04 | C02 | C01 | H021 | 118.4° | 120.0° |
| C04 | C02 | C01 | H013 | 180.0° | 180.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C01 | H012 | 60.0° | 60.0° |
| C04 | C02 | C03 | H032 | 180.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 60.0° |
| C04 | C02 | C03 | H033 | 60.0° | 180.0° |
| C02 | C04 | C05 | H051 | 0.9° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C05 | C04 | C02 | C03 | 96.7° | 60.0° |
| C05 | C04 | C02 | C01 | 28.1° | 60.0° |
| C05 | C04 | C02 | H021 | 146.6° | 180.0° |
| C04 | C05 | C06 | H061 | 179.6° | 180.0° |
| C05 | C06 | C07 | H071 | 179.6° | 180.0° |
| C03 | C02 | C01 | H021 | 116.7° | 120.0° |
| C03 | C02 | C01 | H013 | 55.0° | 60.0° |
| C03 | C02 | C01 | H011 | 65.0° | 180.0° |
| C03 | C02 | C01 | H012 | 175.0° | 60.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 53.1° | 60.0° |
| C01 | C02 | C03 | H031 | 173.2° | 180.0° |
| C01 | C02 | C03 | H033 | 66.9° | 60.0° |
| H231 | C23 | C24 | H241 | 0.4° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 61.7° | 60.0° |
| H011 | C01 | C02 | H021 | 178.4° | 60.0° |
| H012 | C01 | C02 | H021 | 58.3° | 180.0° |
| H021 | C02 | C03 | H032 | 63.5° | 180.0° |
| H021 | C02 | C03 | H031 | 56.6° | 60.0° |
| H021 | C02 | C03 | H033 | 176.5° | 60.0° |
| H032 | C03 | H031 | H033 | 120.0° | 119.9° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H061 | C06 | C07 | H071 | 0.4° | 0.0° |
| H141 | C14 | C15 | H151 | 0.5° | 0.6° |
