959
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C13 | doub | 1.21Å | 1.20Å | |
| C13 | C16 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | N10 | sing | 1.46Å | 1.58Å | |
| N10 | C9 | sing | 1.35Å | 1.39Å | |
| C9 | O11 | doub | 1.21Å | 1.28Å | |
| C9 | O8 | sing | 1.35Å | 1.49Å | |
| O8 | C7 | sing | 1.45Å | 1.50Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C13 | C16 | 114.9° | 120.0° |
| O15 | C13 | C12 | 122.1° | 120.0° |
| C16 | C13 | C12 | 122.8° | 120.0° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C13 | C16 | H16A | 109.4° | 109.5° |
| C13 | C16 | H16B | 109.4° | 109.5° |
| C13 | C12 | N10 | 102.4° | 109.5° |
| C13 | C12 | H12 | 111.9° | 109.5° |
| C13 | C12 | H12A | 113.4° | 109.4° |
| C12 | N10 | C9 | 124.8° | 120.0° |
| N10 | C12 | H12 | 111.9° | 109.5° |
| N10 | C12 | H12A | 113.4° | 109.5° |
| C12 | N10 | HN10 | 117.6° | 120.0° |
| N10 | C9 | O11 | 124.3° | 120.0° |
| N10 | C9 | O8 | 117.3° | 120.0° |
| C9 | N10 | HN10 | 117.6° | 120.0° |
| O11 | C9 | O8 | 118.4° | 120.0° |
| C9 | O8 | C7 | 112.6° | 117.0° |
| O8 | C7 | C5 | 108.3° | 109.5° |
| O8 | C7 | H7 | 109.9° | 109.4° |
| O8 | C7 | H7A | 110.1° | 109.5° |
| C7 | C5 | C6 | 119.8° | 120.0° |
| C7 | C5 | C4 | 119.8° | 120.0° |
| C5 | C7 | H7 | 109.9° | 109.5° |
| C5 | C7 | H7A | 110.1° | 109.5° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C4 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H12 | C12 | H12A | 104.2° | 109.5° |
| H7 | C7 | H7A | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C13 | C16 | C12 | 176.5° | 179.7° |
| O15 | C13 | C12 | N10 | 123.2° | 0.0° |
| O15 | C13 | C16 | H16 | 82.7° | 0.0° |
| O15 | C13 | C16 | H16A | 157.2° | 120.0° |
| O15 | C13 | C16 | H16B | 37.2° | 120.0° |
| O15 | C13 | C12 | H12 | 3.2° | 120.0° |
| O15 | C13 | C12 | H12A | 114.2° | 120.0° |
| C16 | C13 | C12 | N10 | 60.6° | 179.7° |
| C13 | C16 | H16 | H16A | 120.0° | 120.1° |
| C13 | C16 | H16 | H16B | 120.0° | 120.0° |
| C13 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C13 | C12 | H12 | 179.5° | 60.2° |
| C16 | C13 | C12 | H12A | 62.0° | 59.7° |
| C13 | C12 | N10 | H12 | 120.0° | 120.0° |
| C13 | C12 | N10 | H12A | 122.5° | 119.9° |
| C13 | C12 | N10 | C9 | 48.1° | 180.0° |
| C12 | C13 | C16 | H16 | 100.8° | 179.8° |
| C12 | C13 | C16 | H16A | 19.2° | 59.8° |
| C12 | C13 | C16 | H16B | 139.2° | 60.3° |
| C13 | C12 | H12 | H12A | 122.8° | 119.9° |
| C13 | C12 | N10 | HN10 | 131.9° | 0.0° |
| C12 | N10 | C9 | HN10 | 180.0° | 180.0° |
| C12 | N10 | C9 | O11 | 2.3° | 0.0° |
| C12 | N10 | C9 | O8 | 178.1° | 180.0° |
| N10 | C12 | H12 | H12A | 122.9° | 120.0° |
| N10 | C9 | O11 | O8 | 179.6° | 179.9° |
| N10 | C9 | O8 | C7 | 53.1° | 180.0° |
| C9 | N10 | C12 | H12 | 71.8° | 60.0° |
| C9 | N10 | C12 | H12A | 170.7° | 60.0° |
| O11 | C9 | O8 | C7 | 126.5° | 0.1° |
| O11 | C9 | N10 | HN10 | 177.7° | 180.0° |
| C9 | O8 | C7 | C5 | 152.2° | 180.0° |
| O8 | C9 | N10 | HN10 | 1.9° | 0.1° |
| C9 | O8 | C7 | H7 | 87.8° | 60.1° |
| C9 | O8 | C7 | H7A | 31.7° | 60.0° |
| O8 | C7 | C5 | H7 | 120.0° | 120.0° |
| O8 | C7 | C5 | H7A | 120.5° | 120.0° |
| O8 | C7 | C5 | C6 | 97.0° | 90.0° |
| O8 | C7 | C5 | C4 | 82.8° | 90.3° |
| O8 | C7 | H7 | H7A | 120.5° | 120.0° |
| C7 | C5 | C6 | C4 | 179.8° | 179.7° |
| C7 | C5 | C6 | C1 | 180.0° | 180.0° |
| C7 | C5 | C4 | C3 | 180.0° | 179.8° |
| C5 | C7 | H7 | H7A | 120.5° | 120.0° |
| C7 | C5 | C6 | H6 | 0.0° | 0.1° |
| C7 | C5 | C4 | H4 | 0.0° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.5° |
| C6 | C5 | C7 | H7 | 23.0° | 30.0° |
| C6 | C5 | C7 | H7A | 142.6° | 150.0° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C7 | H7 | 157.2° | 149.8° |
| C4 | C5 | C7 | H7A | 37.7° | 29.7° |
| C4 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C4 | C3 | H3 | 179.9° | 179.7° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.8° |
| C4 | C3 | C2 | H2 | 179.7° | 179.8° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H12 | C12 | N10 | HN10 | 108.2° | 120.0° |
| H12A | C12 | N10 | HN10 | 9.4° | 120.0° |
| H6 | C6 | C1 | H1 | 0.0° | 0.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.1° |
| H2 | C2 | C3 | H3 | 0.3° | 0.1° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
