OO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | P02 | doub | 1.48Å | 1.53Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| O04 | P02 | sing | 1.61Å | 1.53Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C16 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| P02 | C05 | sing | 1.81Å | 1.86Å | |
| P02 | O01 | sing | 1.61Å | 1.52Å | |
| C05 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.41Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.41Å | |
| N14 | C13 | sing | 1.35Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | O22 | doub | 1.21Å | 1.19Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 119.9° | 120.1° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C18 | C17 | H171 | 120.1° | 120.1° |
| C17 | C18 | H181 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 119.8° | 120.0° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C17 | C16 | C21 | 120.2° | 120.0° |
| C16 | C17 | H171 | 120.1° | 120.0° |
| O03 | P02 | O04 | 107.3° | 109.5° |
| O03 | P02 | C05 | 111.6° | 109.5° |
| O03 | P02 | O01 | 108.4° | 109.5° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C20 | C19 | H191 | 119.8° | 120.0° |
| C19 | C20 | H201 | 120.0° | 120.0° |
| O04 | P02 | C05 | 109.3° | 109.5° |
| O04 | P02 | O01 | 116.3° | 109.4° |
| P02 | O04 | H2 | 109.5° | 114.0° |
| C07 | C06 | C05 | 119.9° | 120.1° |
| C06 | C07 | C08 | 120.0° | 120.1° |
| C07 | C06 | H061 | 120.1° | 119.9° |
| C06 | C07 | H071 | 120.0° | 120.0° |
| C06 | C05 | P02 | 119.6° | 120.0° |
| C06 | C05 | C10 | 120.4° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C07 | C08 | C09 | 120.0° | 120.1° |
| C08 | C07 | H071 | 120.0° | 120.0° |
| C07 | C08 | H081 | 120.0° | 119.9° |
| C15 | C16 | C21 | 118.6° | 120.0° |
| C16 | C15 | N14 | 108.4° | 109.4° |
| C16 | C15 | H152 | 109.7° | 109.5° |
| C16 | C15 | H151 | 109.7° | 109.5° |
| C16 | C21 | C20 | 119.8° | 120.1° |
| C16 | C21 | H211 | 120.1° | 120.0° |
| C05 | P02 | O01 | 103.9° | 109.5° |
| P02 | C05 | C10 | 120.0° | 120.0° |
| P02 | O01 | H1 | 109.5° | 114.0° |
| C05 | C10 | C09 | 119.3° | 119.9° |
| C05 | C10 | O11 | 120.2° | 120.1° |
| C08 | C09 | C10 | 120.4° | 119.9° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C15 | N14 | C13 | 122.7° | 120.0° |
| N14 | C15 | H152 | 109.7° | 109.5° |
| N14 | C15 | H151 | 109.7° | 109.4° |
| C15 | N14 | H141 | 118.7° | 120.0° |
| C09 | C10 | O11 | 120.4° | 120.0° |
| C10 | C09 | H091 | 119.8° | 120.1° |
| C10 | O11 | C12 | 114.5° | 117.0° |
| C21 | C20 | H201 | 120.0° | 120.1° |
| C20 | C21 | H211 | 120.1° | 120.0° |
| O11 | C12 | C13 | 112.0° | 109.4° |
| O11 | C12 | H122 | 108.9° | 109.4° |
| O11 | C12 | H121 | 108.8° | 109.5° |
| N14 | C13 | C12 | 122.7° | 120.0° |
| N14 | C13 | O22 | 117.6° | 120.0° |
| C13 | N14 | H141 | 118.6° | 120.1° |
| C12 | C13 | O22 | 119.6° | 120.1° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C18 | C17 | C16 | C21 | 0.2° | 0.3° |
| C17 | C18 | C19 | H191 | 179.2° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.9° | 0.2° |
| C19 | C18 | C17 | H171 | 179.8° | 180.0° |
| C18 | C19 | C20 | H201 | 179.1° | 180.0° |
| C17 | C16 | C15 | C21 | 179.7° | 179.8° |
| C17 | C16 | C15 | N14 | 148.3° | 89.8° |
| C17 | C16 | C21 | C20 | 0.1° | 0.5° |
| C17 | C16 | C15 | H152 | 91.8° | 30.3° |
| C17 | C16 | C15 | H151 | 28.5° | 150.3° |
| C16 | C17 | C18 | H181 | 179.8° | 180.0° |
| C17 | C16 | C21 | H211 | 179.9° | 179.7° |
| O03 | P02 | O04 | C05 | 121.2° | 120.0° |
| O03 | P02 | O04 | O01 | 121.6° | 120.0° |
| O03 | P02 | C05 | C06 | 123.6° | 89.7° |
| O03 | P02 | C05 | O01 | 116.6° | 120.0° |
| O03 | P02 | C05 | C10 | 57.2° | 90.0° |
| O03 | P02 | O01 | H1 | 0.0° | 60.0° |
| O03 | P02 | O04 | H2 | 0.0° | 60.0° |
| C19 | C20 | C21 | C16 | 0.5° | 0.5° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C20 | C19 | C18 | H181 | 179.2° | 180.0° |
| C19 | C20 | C21 | H211 | 179.5° | 179.7° |
| O04 | P02 | C05 | C06 | 5.1° | 30.3° |
| O04 | P02 | C05 | O01 | 124.8° | 120.0° |
| O04 | P02 | C05 | C10 | 175.7° | 150.0° |
| O04 | P02 | O01 | H1 | 121.0° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C07 | C06 | C05 | P02 | 179.9° | 179.7° |
| C07 | C06 | C05 | C10 | 0.7° | 0.0° |
| C06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C06 | C07 | C08 | H081 | 179.6° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C06 | C05 | P02 | C10 | 179.2° | 179.7° |
| C06 | C05 | P02 | O01 | 119.8° | 150.3° |
| C06 | C05 | C10 | C09 | 1.1° | 0.0° |
| C06 | C05 | C10 | O11 | 179.7° | 179.9° |
| C05 | C06 | C07 | H071 | 180.0° | 179.9° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.0° | 0.1° |
| C08 | C07 | C06 | H061 | 180.0° | 180.0° |
| C07 | C08 | C09 | H091 | 180.0° | 179.9° |
| C16 | C15 | N14 | H152 | 119.8° | 120.0° |
| C16 | C15 | N14 | H151 | 119.8° | 120.0° |
| C15 | C16 | C21 | C20 | 179.8° | 179.7° |
| C16 | C15 | N14 | C13 | 154.5° | 180.0° |
| C16 | C15 | H152 | H151 | 120.5° | 120.0° |
| C15 | C16 | C17 | H171 | 0.1° | 0.0° |
| C15 | C16 | C21 | H211 | 0.2° | 0.1° |
| C16 | C15 | N14 | H141 | 25.5° | 0.1° |
| C21 | C16 | C15 | N14 | 31.3° | 90.0° |
| C16 | C21 | C20 | H211 | 180.0° | 179.8° |
| C21 | C16 | C15 | H152 | 88.5° | 150.0° |
| C21 | C16 | C15 | H151 | 151.1° | 30.0° |
| C21 | C16 | C17 | H171 | 179.8° | 179.7° |
| C16 | C21 | C20 | H201 | 179.6° | 179.7° |
| P02 | C05 | C10 | C09 | 179.7° | 179.7° |
| P02 | C05 | C10 | O11 | 0.5° | 0.3° |
| P02 | C05 | C06 | H061 | 0.1° | 0.3° |
| C05 | P02 | O01 | H1 | 118.7° | 60.0° |
| C05 | P02 | O04 | H2 | 121.2° | 60.0° |
| O01 | P02 | C05 | C10 | 59.4° | 30.0° |
| O01 | P02 | O04 | H2 | 121.6° | 180.0° |
| C05 | C10 | C09 | C08 | 0.7° | 0.0° |
| C05 | C10 | C09 | O11 | 179.2° | 180.0° |
| C05 | C10 | O11 | C12 | 90.8° | 179.9° |
| C10 | C05 | C06 | H061 | 179.3° | 180.0° |
| C05 | C10 | C09 | H091 | 179.3° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | O11 | 179.9° | 180.0° |
| C09 | C08 | C07 | H071 | 179.7° | 180.0° |
| C15 | N14 | C13 | H141 | 180.0° | 179.9° |
| C15 | N14 | C13 | C12 | 0.9° | 180.0° |
| C15 | N14 | C13 | O22 | 179.9° | 0.1° |
| N14 | C15 | H152 | H151 | 120.5° | 120.0° |
| C09 | C10 | O11 | C12 | 90.0° | 0.1° |
| C10 | C09 | C08 | H081 | 180.0° | 180.0° |
| C10 | O11 | C12 | C13 | 165.9° | 180.0° |
| O11 | C10 | C09 | H091 | 0.1° | 0.0° |
| C10 | O11 | C12 | H122 | 73.7° | 60.1° |
| C10 | O11 | C12 | H121 | 45.5° | 60.0° |
| C21 | C20 | C19 | H191 | 179.1° | 179.8° |
| O11 | C12 | C13 | N14 | 41.2° | 179.9° |
| O11 | C12 | C13 | H122 | 120.4° | 119.9° |
| O11 | C12 | C13 | H121 | 120.4° | 120.0° |
| O11 | C12 | C13 | O22 | 139.9° | 0.0° |
| O11 | C12 | H122 | H121 | 118.9° | 120.0° |
| N14 | C13 | C12 | O22 | 179.0° | 179.9° |
| N14 | C13 | C12 | H122 | 79.2° | 60.0° |
| N14 | C13 | C12 | H121 | 161.5° | 60.1° |
| C13 | N14 | C15 | H152 | 34.6° | 60.0° |
| C13 | N14 | C15 | H151 | 85.7° | 60.1° |
| C13 | C12 | H122 | H121 | 118.8° | 120.1° |
| C12 | C13 | N14 | H141 | 179.1° | 0.1° |
| O22 | C13 | C12 | H122 | 99.7° | 119.9° |
| O22 | C13 | C12 | H121 | 19.5° | 120.0° |
| O22 | C13 | N14 | H141 | 0.1° | 180.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.0° |
| H071 | C07 | C08 | H081 | 0.4° | 0.1° |
| H081 | C08 | C09 | H091 | 0.0° | 0.0° |
| H152 | C15 | N14 | H141 | 145.4° | 119.9° |
| H151 | C15 | N14 | H141 | 94.3° | 120.0° |
| H171 | C17 | C18 | H181 | 0.2° | 0.0° |
| H181 | C18 | C19 | H191 | 0.8° | 0.1° |
| H191 | C19 | C20 | H201 | 0.9° | 0.0° |
| H201 | C20 | C21 | H211 | 0.4° | 0.1° |
