NN0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C1 | sing | 1.35Å | 1.40Å | |
| O27 | C8 | doub | 1.22Å | 1.19Å | |
| CL1 | C14 | sing | 1.74Å | 1.79Å | |
| C1 | C2 | sing | 1.46Å | 1.39Å | |
| C1 | C6 | doub | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.33Å | 1.39Å | |
| C8 | C6 | sing | 1.47Å | 1.55Å | |
| C8 | C9 | sing | 1.48Å | 1.52Å | |
| C6 | C5 | sing | 1.42Å | 1.40Å | |
| C14 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.38Å | |
| C13 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.39Å | |
| C5 | O28 | doub | 1.21Å | 1.19Å | |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.36Å | Aromatic |
| C12 | C18 | sing | 1.48Å | 1.42Å | |
| C11 | N15 | sing | 1.39Å | 1.36Å | |
| O21 | C18 | doub | 1.22Å | 1.19Å | |
| C18 | N17 | sing | 1.35Å | 1.34Å | |
| N15 | C19 | sing | 1.47Å | 1.45Å | |
| N15 | C16 | sing | 1.34Å | 1.33Å | |
| N17 | C16 | sing | 1.34Å | 1.35Å | |
| N17 | C20 | sing | 1.46Å | 1.48Å | |
| C26 | C20 | sing | 1.54Å | 1.37Å | |
| C26 | C25 | sing | 1.55Å | 1.67Å | |
| C16 | O29 | doub | 1.22Å | 1.18Å | |
| C20 | C23 | sing | 1.54Å | 1.64Å | |
| C25 | C24 | sing | 1.55Å | 1.39Å | |
| C23 | C24 | sing | 1.54Å | 1.60Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C1 | C2 | 118.2° | 119.0° |
| O7 | C1 | C6 | 121.1° | 118.9° |
| C1 | O7 | H19 | 109.5° | 117.0° |
| O27 | C8 | C6 | 120.9° | 120.0° |
| O27 | C8 | C9 | 115.7° | 120.0° |
| CL1 | C14 | C9 | 120.3° | 119.9° |
| CL1 | C14 | C13 | 119.8° | 119.9° |
| C2 | C1 | C6 | 120.7° | 122.1° |
| C1 | C2 | C3 | 120.2° | 121.7° |
| C1 | C2 | H8 | 119.9° | 119.2° |
| C1 | C6 | C8 | 119.0° | 119.8° |
| C1 | C6 | C5 | 118.3° | 120.3° |
| C2 | C3 | C4 | 119.9° | 119.4° |
| C3 | C2 | H8 | 119.9° | 119.1° |
| C2 | C3 | H9 | 120.0° | 120.3° |
| C6 | C8 | C9 | 123.3° | 120.0° |
| C8 | C6 | C5 | 122.6° | 119.9° |
| C8 | C9 | C14 | 120.9° | 119.9° |
| C8 | C9 | C10 | 118.8° | 119.9° |
| C6 | C5 | C4 | 120.7° | 118.4° |
| C6 | C5 | O28 | 121.7° | 120.8° |
| C9 | C14 | C13 | 119.9° | 120.2° |
| C14 | C9 | C10 | 120.3° | 120.3° |
| C14 | C13 | C12 | 120.1° | 119.7° |
| C14 | C13 | H2 | 120.0° | 120.1° |
| C9 | C10 | C11 | 119.6° | 119.7° |
| C9 | C10 | H1 | 120.2° | 120.1° |
| C3 | C4 | C5 | 120.1° | 118.1° |
| C4 | C3 | H9 | 120.1° | 120.3° |
| C3 | C4 | H10 | 106.8° | 107.6° |
| C3 | C4 | H20 | 106.7° | 107.7° |
| C13 | C12 | C11 | 119.2° | 120.3° |
| C13 | C12 | C18 | 122.2° | 121.5° |
| C12 | C13 | H2 | 119.9° | 120.2° |
| C4 | C5 | O28 | 117.5° | 120.8° |
| C5 | C4 | H10 | 106.7° | 107.7° |
| C5 | C4 | H20 | 106.7° | 107.7° |
| C10 | C11 | C12 | 120.8° | 119.8° |
| C10 | C11 | N15 | 119.1° | 121.4° |
| C11 | C10 | H1 | 120.2° | 120.2° |
| C11 | C12 | C18 | 118.6° | 118.2° |
| C12 | C11 | N15 | 120.1° | 118.8° |
| C12 | C18 | O21 | 118.1° | 120.9° |
| C12 | C18 | N17 | 119.6° | 118.3° |
| C11 | N15 | C19 | 120.5° | 119.7° |
| C11 | N15 | C16 | 120.1° | 120.7° |
| O21 | C18 | N17 | 122.3° | 120.8° |
| C18 | N17 | C16 | 119.6° | 121.3° |
| C18 | N17 | C20 | 125.4° | 119.4° |
| C19 | N15 | C16 | 119.4° | 119.6° |
| N15 | C19 | H12 | 109.5° | 109.5° |
| N15 | C19 | H13 | 109.5° | 109.5° |
| N15 | C19 | H14 | 109.5° | 109.4° |
| N15 | C16 | N17 | 122.0° | 122.8° |
| N15 | C16 | O29 | 118.5° | 118.6° |
| C16 | N17 | C20 | 115.0° | 119.4° |
| N17 | C16 | O29 | 119.5° | 118.6° |
| N17 | C20 | C26 | 113.1° | 110.0° |
| N17 | C20 | C23 | 115.8° | 110.1° |
| N17 | C20 | H3 | 107.8° | 110.0° |
| C20 | C26 | C25 | 102.7° | 104.2° |
| C26 | C20 | C23 | 104.4° | 106.6° |
| C26 | C20 | H3 | 109.3° | 110.0° |
| C20 | C26 | H6 | 111.1° | 110.5° |
| C20 | C26 | H7 | 111.2° | 110.5° |
| C26 | C25 | C24 | 105.2° | 102.7° |
| C25 | C26 | H6 | 111.2° | 110.4° |
| C25 | C26 | H7 | 111.1° | 110.5° |
| C26 | C25 | H17 | 110.5° | 110.7° |
| C26 | C25 | H18 | 110.5° | 110.8° |
| C20 | C23 | C24 | 103.8° | 106.6° |
| C23 | C20 | H3 | 106.1° | 110.0° |
| C20 | C23 | H15 | 110.9° | 110.0° |
| C20 | C23 | H16 | 110.9° | 110.0° |
| C25 | C24 | C23 | 105.9° | 104.2° |
| C25 | C24 | H4 | 110.4° | 110.5° |
| C25 | C24 | H5 | 110.3° | 110.6° |
| C24 | C25 | H17 | 110.5° | 110.8° |
| C24 | C25 | H18 | 110.5° | 110.8° |
| C23 | C24 | H4 | 110.4° | 110.5° |
| C23 | C24 | H5 | 110.4° | 110.5° |
| C24 | C23 | H15 | 110.9° | 110.0° |
| C24 | C23 | H16 | 110.9° | 110.1° |
| H4 | C24 | H5 | 109.5° | 110.4° |
| H6 | C26 | H7 | 109.4° | 110.6° |
| H10 | C4 | H20 | 109.5° | 107.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 110.0° |
| H17 | C25 | H18 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C1 | C2 | C6 | 179.6° | 179.8° |
| O7 | C1 | C2 | C3 | 179.0° | 179.8° |
| O7 | C1 | C6 | C8 | 0.3° | 0.2° |
| O7 | C1 | C6 | C5 | 179.4° | 179.8° |
| O7 | C1 | C2 | H8 | 1.0° | 0.2° |
| O27 | C8 | C6 | C1 | 3.7° | 5.8° |
| O27 | C8 | C6 | C9 | 179.2° | 179.9° |
| O27 | C8 | C6 | C5 | 176.6° | 174.1° |
| O27 | C8 | C9 | C14 | 98.4° | 104.8° |
| O27 | C8 | C9 | C10 | 80.8° | 75.1° |
| CL1 | C14 | C9 | C8 | 0.8° | 0.1° |
| CL1 | C14 | C9 | C13 | 179.6° | 179.6° |
| CL1 | C14 | C9 | C10 | 180.0° | 180.0° |
| CL1 | C14 | C13 | C12 | 179.9° | 179.7° |
| CL1 | C14 | C13 | H2 | 0.1° | 0.2° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C2 | C1 | C6 | C8 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H9 | 179.3° | 180.0° |
| C2 | C1 | O7 | H19 | 178.6° | 0.1° |
| C6 | C1 | C2 | C3 | 0.6° | 0.1° |
| C1 | C6 | C8 | C5 | 179.7° | 179.9° |
| C1 | C6 | C8 | C9 | 175.5° | 174.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | O28 | 179.9° | 180.0° |
| C6 | C1 | C2 | H8 | 179.4° | 180.0° |
| C6 | C1 | O7 | H19 | 1.8° | 179.7° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H10 | 121.9° | 122.2° |
| C2 | C3 | C4 | H20 | 121.1° | 122.2° |
| C6 | C8 | C9 | C14 | 80.8° | 75.1° |
| C6 | C8 | C9 | C10 | 100.0° | 104.9° |
| C8 | C6 | C5 | C4 | 179.5° | 179.9° |
| C8 | C6 | C5 | O28 | 0.3° | 0.0° |
| C9 | C8 | C6 | C5 | 4.3° | 6.0° |
| C8 | C9 | C14 | C10 | 179.1° | 180.0° |
| C8 | C9 | C14 | C13 | 179.5° | 179.5° |
| C8 | C9 | C10 | C11 | 179.2° | 180.0° |
| C8 | C9 | C10 | H1 | 0.8° | 0.3° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | O28 | 179.9° | 179.9° |
| C6 | C5 | C4 | H10 | 121.5° | 122.2° |
| C6 | C5 | C4 | H20 | 121.6° | 122.1° |
| C9 | C14 | C13 | C12 | 0.3° | 0.7° |
| C14 | C9 | C10 | C11 | 0.1° | 0.1° |
| C14 | C9 | C10 | H1 | 179.9° | 179.7° |
| C9 | C14 | C13 | H2 | 179.7° | 179.8° |
| C13 | C14 | C9 | C10 | 0.4° | 0.4° |
| C14 | C13 | C12 | H2 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.1° | 0.5° |
| C14 | C13 | C12 | C18 | 179.7° | 180.0° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.3° |
| C9 | C10 | C11 | N15 | 180.0° | 179.7° |
| C3 | C4 | C5 | H10 | 121.5° | 122.1° |
| C3 | C4 | C5 | H20 | 121.5° | 122.2° |
| C3 | C4 | C5 | O28 | 179.9° | 180.0° |
| C4 | C3 | C2 | H8 | 179.3° | 180.0° |
| C3 | C4 | H10 | H20 | 115.2° | 115.8° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | C18 | 179.6° | 179.5° |
| C13 | C12 | C11 | N15 | 179.9° | 180.0° |
| C13 | C12 | C18 | O21 | 0.0° | 0.0° |
| C13 | C12 | C18 | N17 | 180.0° | 180.0° |
| C5 | C4 | C3 | H9 | 179.6° | 179.9° |
| C5 | C4 | H10 | H20 | 115.1° | 115.9° |
| O28 | C5 | C4 | H10 | 58.4° | 57.9° |
| O28 | C5 | C4 | H20 | 58.6° | 57.8° |
| C10 | C11 | C12 | N15 | 179.6° | 179.9° |
| C10 | C11 | C12 | C18 | 179.9° | 179.5° |
| C10 | C11 | N15 | C19 | 0.1° | 0.0° |
| C10 | C11 | N15 | C16 | 179.6° | 180.0° |
| C11 | C12 | C18 | O21 | 179.6° | 179.5° |
| C11 | C12 | C18 | N17 | 0.4° | 0.5° |
| C12 | C11 | N15 | C19 | 179.8° | 179.9° |
| C12 | C11 | N15 | C16 | 0.0° | 0.1° |
| C12 | C11 | C10 | H1 | 179.6° | 179.9° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C18 | C12 | C11 | N15 | 0.3° | 0.5° |
| C12 | C18 | O21 | N17 | 179.9° | 180.0° |
| C12 | C18 | N17 | C16 | 0.1° | 0.0° |
| C12 | C18 | N17 | C20 | 179.9° | 180.0° |
| C18 | C12 | C13 | H2 | 0.2° | 0.5° |
| C11 | N15 | C19 | C16 | 179.8° | 180.0° |
| C11 | N15 | C16 | N17 | 0.2° | 0.5° |
| C11 | N15 | C16 | O29 | 179.8° | 180.0° |
| N15 | C11 | C10 | H1 | 0.0° | 0.0° |
| C11 | N15 | C19 | H12 | 180.0° | 84.8° |
| C11 | N15 | C19 | H13 | 60.0° | 155.2° |
| C11 | N15 | C19 | H14 | 60.0° | 35.1° |
| O21 | C18 | N17 | C16 | 179.8° | 180.0° |
| O21 | C18 | N17 | C20 | 0.2° | 0.1° |
| C18 | N17 | C16 | N15 | 0.2° | 0.5° |
| C18 | N17 | C16 | C20 | 180.0° | 180.0° |
| C18 | N17 | C20 | C26 | 75.5° | 65.7° |
| C18 | N17 | C16 | O29 | 179.9° | 180.0° |
| C18 | N17 | C20 | C23 | 44.9° | 51.5° |
| C18 | N17 | C20 | H3 | 163.5° | 172.9° |
| C19 | N15 | C16 | N17 | 180.0° | 179.5° |
| C19 | N15 | C16 | O29 | 0.0° | 0.0° |
| N15 | C19 | H12 | H13 | 120.0° | 120.0° |
| N15 | C19 | H12 | H14 | 120.0° | 119.9° |
| N15 | C19 | H13 | H14 | 120.0° | 120.0° |
| N15 | C16 | N17 | O29 | 180.0° | 179.5° |
| N15 | C16 | N17 | C20 | 179.8° | 179.5° |
| C16 | N15 | C19 | H12 | 0.2° | 95.2° |
| C16 | N15 | C19 | H13 | 119.8° | 24.8° |
| C16 | N15 | C19 | H14 | 120.2° | 144.9° |
| C16 | N17 | C20 | C26 | 104.4° | 114.4° |
| C16 | N17 | C20 | C23 | 135.1° | 128.5° |
| C16 | N17 | C20 | H3 | 16.6° | 7.0° |
| N17 | C20 | C26 | C23 | 126.7° | 119.3° |
| N17 | C20 | C26 | H3 | 120.1° | 121.4° |
| N17 | C20 | C26 | C25 | 165.0° | 95.7° |
| C20 | N17 | C16 | O29 | 0.2° | 0.0° |
| N17 | C20 | C23 | H3 | 119.5° | 121.4° |
| N17 | C20 | C23 | C24 | 149.3° | 119.3° |
| N17 | C20 | C26 | H6 | 76.1° | 145.7° |
| N17 | C20 | C26 | H7 | 46.1° | 23.0° |
| N17 | C20 | C23 | H15 | 30.2° | 0.0° |
| N17 | C20 | C23 | H16 | 91.6° | 121.4° |
| C20 | C26 | C25 | H6 | 118.9° | 118.6° |
| C20 | C26 | C25 | H7 | 118.9° | 118.7° |
| C26 | C20 | C23 | H3 | 115.4° | 119.3° |
| C20 | C26 | C25 | C24 | 43.6° | 37.9° |
| C26 | C20 | C23 | C24 | 24.3° | 0.0° |
| C20 | C26 | H6 | H7 | 123.1° | 122.6° |
| C26 | C20 | C23 | H15 | 94.8° | 119.3° |
| C26 | C20 | C23 | H16 | 143.4° | 119.3° |
| C20 | C26 | C25 | H17 | 75.7° | 80.4° |
| C20 | C26 | C25 | H18 | 162.9° | 156.2° |
| C25 | C26 | C20 | C23 | 38.3° | 23.6° |
| C26 | C25 | C24 | H17 | 119.3° | 118.3° |
| C26 | C25 | C24 | H18 | 119.3° | 118.3° |
| C26 | C25 | C24 | C23 | 25.9° | 37.9° |
| C25 | C26 | C20 | H3 | 74.9° | 142.9° |
| C26 | C25 | C24 | H4 | 145.3° | 156.6° |
| C26 | C25 | C24 | H5 | 93.5° | 80.8° |
| C25 | C26 | H6 | H7 | 123.1° | 122.6° |
| C26 | C25 | H17 | H18 | 121.9° | 123.3° |
| C20 | C23 | C24 | C25 | 4.2° | 23.6° |
| C20 | C23 | C24 | H15 | 119.1° | 119.3° |
| C20 | C23 | C24 | H16 | 119.1° | 119.3° |
| C20 | C23 | C24 | H4 | 123.7° | 142.3° |
| C20 | C23 | C24 | H5 | 115.2° | 95.2° |
| C23 | C20 | C26 | H6 | 157.2° | 95.0° |
| C23 | C20 | C26 | H7 | 80.7° | 142.3° |
| C20 | C23 | H15 | H16 | 122.6° | 121.3° |
| C25 | C24 | C23 | H4 | 119.4° | 118.7° |
| C25 | C24 | C23 | H5 | 119.4° | 118.8° |
| C25 | C24 | H4 | H5 | 121.6° | 122.6° |
| C24 | C25 | C26 | H6 | 162.5° | 80.7° |
| C24 | C25 | C26 | H7 | 75.4° | 156.6° |
| C25 | C24 | C23 | H15 | 123.3° | 95.7° |
| C25 | C24 | C23 | H16 | 114.9° | 142.9° |
| C24 | C25 | H17 | H18 | 122.0° | 123.4° |
| C24 | C23 | C20 | H3 | 91.1° | 119.3° |
| C23 | C24 | H4 | H5 | 121.7° | 122.5° |
| C24 | C23 | H15 | H16 | 122.6° | 121.5° |
| C23 | C24 | C25 | H17 | 93.4° | 80.4° |
| C23 | C24 | C25 | H18 | 145.2° | 156.2° |
| H3 | C20 | C26 | H6 | 44.1° | 24.3° |
| H3 | C20 | C26 | H7 | 166.2° | 98.4° |
| H3 | C20 | C23 | H15 | 149.7° | 121.4° |
| H3 | C20 | C23 | H16 | 27.9° | 0.1° |
| H4 | C24 | C23 | H15 | 117.2° | 23.0° |
| H4 | C24 | C23 | H16 | 4.6° | 98.4° |
| H4 | C24 | C25 | H17 | 26.0° | 38.4° |
| H4 | C24 | C25 | H18 | 95.3° | 85.0° |
| H5 | C24 | C23 | H15 | 3.9° | 145.5° |
| H5 | C24 | C23 | H16 | 125.7° | 24.1° |
| H5 | C24 | C25 | H17 | 147.1° | 160.9° |
| H5 | C24 | C25 | H18 | 25.8° | 37.5° |
| H6 | C26 | C25 | H17 | 43.2° | 161.0° |
| H6 | C26 | C25 | H18 | 78.2° | 37.6° |
| H7 | C26 | C25 | H17 | 165.3° | 38.3° |
| H7 | C26 | C25 | H18 | 44.0° | 85.0° |
| H8 | C2 | C3 | H9 | 0.7° | 0.0° |
| H9 | C3 | C4 | H10 | 58.1° | 57.8° |
| H9 | C3 | C4 | H20 | 58.9° | 57.8° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
