N0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | S1 | sing | 1.76Å | 1.62Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| O4 | S1 | doub | 1.42Å | 1.40Å | |
| N21 | S1 | sing | 1.66Å | 1.61Å | |
| N21 | C20 | sing | 1.46Å | 1.47Å | |
| C3 | C4 | sing | 1.54Å | 1.55Å | |
| C3 | C2 | sing | 1.55Å | 1.50Å | |
| S1 | O2 | doub | 1.42Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | N7 | sing | 1.47Å | 1.50Å | |
| C4 | N7 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| O11 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C6 | sing | 1.55Å | 1.50Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C5 | C8 | sing | 1.53Å | 1.49Å | |
| C6 | O10 | sing | 1.43Å | 1.42Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| N21 | H11 | sing | 0.97Å | 1.00Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| N7 | H22 | sing | 1.01Å | 1.00Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| O9 | H26 | sing | 0.97Å | 0.95Å | |
| O10 | H27 | sing | 0.97Å | 0.95Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| O11 | H29 | sing | 0.97Å | 0.95Å | |
| C7 | C1 | sing | 1.41Å | 87.21Å | Aromatic |
| C1 | C9 | doub | 1.42Å | 0.00Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 0.00Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 0.00Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 0.00Å | Aromatic |
| C12 | C7 | doub | 1.36Å | 87.21Å | Aromatic |
| C9 | C13 | sing | 1.41Å | 0.00Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 0.00Å | Aromatic |
| C14 | C21 | sing | 1.39Å | 0.00Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 0.00Å | Aromatic |
| C22 | C1 | sing | 1.41Å | 0.00Å | Aromatic |
| C13 | N1 | sing | 1.39Å | 0.00Å | |
| N1 | C24 | sing | 1.47Å | 0.00Å | |
| N1 | C25 | sing | 1.47Å | 0.00Å | |
| C12 | H4 | sing | 1.08Å | 0.00Å | |
| C11 | H5 | sing | 1.08Å | 0.00Å | |
| C10 | H6 | sing | 1.08Å | 0.00Å | |
| C22 | H31 | sing | 1.08Å | 0.00Å | |
| C21 | H32 | sing | 1.08Å | 0.00Å | |
| C14 | H33 | sing | 1.08Å | 0.00Å | |
| C25 | H23 | sing | 1.09Å | 0.00Å | |
| C25 | H30 | sing | 1.09Å | 0.00Å | |
| C25 | H34 | sing | 1.09Å | 0.00Å | |
| C24 | H35 | sing | 1.09Å | 0.00Å | |
| C24 | H36 | sing | 1.09Å | 0.00Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | S1 | O4 | 117.0° | 106.4° |
| C7 | S1 | N21 | 103.4° | 107.2° |
| C7 | S1 | O2 | 109.4° | 106.4° |
| S1 | C7 | C1 | 52.1° | 120.1° |
| S1 | C7 | C12 | 52.1° | 120.2° |
| C18 | C19 | C20 | 111.2° | 109.5° |
| C19 | C18 | C17 | 108.1° | 109.5° |
| C18 | C19 | H14 | 109.0° | 109.5° |
| C18 | C19 | H15 | 109.0° | 109.5° |
| C19 | C18 | H16 | 109.8° | 109.5° |
| C19 | C18 | H17 | 109.8° | 109.5° |
| C19 | C20 | N21 | 106.6° | 109.5° |
| C19 | C20 | H12 | 110.2° | 109.5° |
| C19 | C20 | H13 | 110.2° | 109.5° |
| C20 | C19 | H14 | 109.1° | 109.5° |
| C20 | C19 | H15 | 109.0° | 109.4° |
| O4 | S1 | N21 | 107.3° | 106.4° |
| O4 | S1 | O2 | 103.7° | 123.2° |
| S1 | N21 | C20 | 110.4° | 120.0° |
| N21 | S1 | O2 | 116.5° | 106.4° |
| S1 | N21 | H11 | 109.2° | 120.0° |
| C20 | N21 | H11 | 109.3° | 120.0° |
| N21 | C20 | H12 | 110.2° | 109.5° |
| N21 | C20 | H13 | 110.2° | 109.5° |
| C4 | C3 | C2 | 105.5° | 104.2° |
| C3 | C4 | N7 | 107.2° | 110.0° |
| C3 | C4 | C5 | 103.1° | 106.6° |
| C3 | C4 | H1 | 109.8° | 110.1° |
| C4 | C3 | H24 | 110.5° | 110.5° |
| C4 | C3 | H25 | 110.4° | 110.5° |
| C3 | C2 | O11 | 114.1° | 110.8° |
| C3 | C2 | C6 | 101.4° | 102.8° |
| C2 | C3 | H24 | 110.4° | 110.5° |
| C2 | C3 | H25 | 110.5° | 110.5° |
| C3 | C2 | H28 | 108.4° | 110.8° |
| C18 | C17 | C16 | 123.1° | 109.5° |
| C17 | C18 | H16 | 109.8° | 109.4° |
| C17 | C18 | H17 | 109.8° | 109.5° |
| C18 | C17 | H18 | 106.0° | 109.4° |
| C18 | C17 | H19 | 105.9° | 109.5° |
| C15 | C16 | C17 | 105.1° | 109.5° |
| C16 | C15 | N7 | 112.1° | 109.5° |
| C16 | C15 | H9 | 108.8° | 109.4° |
| C16 | C15 | H10 | 108.8° | 109.5° |
| C15 | C16 | H20 | 110.5° | 109.5° |
| C15 | C16 | H21 | 110.5° | 109.5° |
| C17 | C16 | H20 | 110.6° | 109.5° |
| C17 | C16 | H21 | 110.6° | 109.4° |
| C16 | C17 | H18 | 106.0° | 109.5° |
| C16 | C17 | H19 | 106.0° | 109.5° |
| C15 | N7 | C4 | 110.8° | 111.0° |
| N7 | C15 | H9 | 108.8° | 109.5° |
| N7 | C15 | H10 | 108.8° | 109.5° |
| C15 | N7 | H22 | 109.2° | 111.0° |
| N7 | C4 | C5 | 116.0° | 110.0° |
| N7 | C4 | H1 | 110.8° | 110.0° |
| C4 | N7 | H22 | 109.2° | 111.0° |
| C4 | C5 | C6 | 104.6° | 106.6° |
| C4 | C5 | C8 | 117.6° | 110.0° |
| C5 | C4 | H1 | 109.6° | 110.1° |
| C4 | C5 | H2 | 104.3° | 110.0° |
| O11 | C2 | C6 | 114.4° | 110.7° |
| O11 | C2 | H28 | 109.5° | 110.8° |
| C2 | O11 | H29 | 109.5° | 114.0° |
| C2 | C6 | C5 | 101.9° | 104.2° |
| C2 | C6 | O10 | 107.9° | 110.5° |
| C2 | C6 | H3 | 112.8° | 110.6° |
| C6 | C2 | H28 | 108.5° | 110.7° |
| C6 | C5 | C8 | 119.1° | 110.1° |
| C5 | C6 | O10 | 106.8° | 110.5° |
| C6 | C5 | H2 | 104.7° | 110.1° |
| C5 | C6 | H3 | 112.4° | 110.5° |
| C5 | C8 | O9 | 109.6° | 109.5° |
| C8 | C5 | H2 | 105.0° | 110.0° |
| C5 | C8 | H7 | 109.4° | 109.4° |
| C5 | C8 | H8 | 109.4° | 109.5° |
| O10 | C6 | H3 | 114.1° | 110.4° |
| C6 | O10 | H27 | 109.5° | 114.0° |
| O9 | C8 | H7 | 109.4° | 109.5° |
| O9 | C8 | H8 | 109.4° | 109.5° |
| C8 | O9 | H26 | 109.5° | 114.0° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.5° | 110.6° |
| C7 | C1 | C9 | 90.0° | 119.3° |
| C1 | C7 | C12 | 0.0° | 119.7° |
| C7 | C1 | C22 | 90.0° | 121.3° |
| C1 | C9 | C10 | 90.0° | 119.4° |
| C1 | C9 | C13 | 90.0° | 119.3° |
| C9 | C1 | C22 | 90.0° | 119.5° |
| C9 | C10 | C11 | 90.0° | 119.7° |
| C10 | C9 | C13 | 90.0° | 121.3° |
| C9 | C10 | H6 | 90.0° | 120.1° |
| C10 | C11 | C12 | 90.0° | 120.9° |
| C10 | C11 | H5 | 90.0° | 119.6° |
| C11 | C10 | H6 | 90.0° | 120.1° |
| C11 | C12 | C7 | 90.0° | 121.0° |
| C11 | C12 | H4 | 90.0° | 119.4° |
| C12 | C11 | H5 | 90.0° | 119.5° |
| C7 | C12 | H4 | 90.0° | 119.6° |
| C9 | C13 | C14 | 90.0° | 119.3° |
| C9 | C13 | N1 | 90.0° | 120.3° |
| C13 | C14 | C21 | 90.0° | 120.8° |
| C14 | C13 | N1 | 90.0° | 120.3° |
| C13 | C14 | H33 | 90.0° | 119.6° |
| C14 | C21 | C22 | 90.0° | 121.1° |
| C14 | C21 | H32 | 90.0° | 119.5° |
| C21 | C14 | H33 | 90.0° | 119.6° |
| C21 | C22 | C1 | 90.0° | 120.0° |
| C21 | C22 | H31 | 90.0° | 120.1° |
| C22 | C21 | H32 | 90.0° | 119.5° |
| C1 | C22 | H31 | 90.0° | 119.9° |
| C13 | N1 | C24 | 90.0° | 111.0° |
| C13 | N1 | C25 | 90.0° | 111.0° |
| C24 | N1 | C25 | 90.0° | 111.0° |
| N1 | C24 | H35 | 90.0° | 109.4° |
| N1 | C24 | H36 | 90.0° | 109.5° |
| N1 | C24 | H37 | 90.0° | 109.5° |
| N1 | C25 | H23 | 90.0° | 109.4° |
| N1 | C25 | H30 | 90.0° | 109.5° |
| N1 | C25 | H34 | 90.0° | 109.5° |
| H23 | C25 | H30 | 90.0° | 109.5° |
| H23 | C25 | H34 | 90.0° | 109.5° |
| H30 | C25 | H34 | 90.0° | 109.5° |
| H35 | C24 | H36 | 90.0° | 109.4° |
| H35 | C24 | H37 | 90.0° | 109.5° |
| H36 | C24 | H37 | 90.0° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | S1 | O4 | N21 | 115.6° | 114.1° |
| C7 | S1 | O4 | O2 | 120.6° | 123.0° |
| C7 | S1 | N21 | O2 | 120.1° | 113.5° |
| C7 | S1 | N21 | C20 | 176.7° | 63.9° |
| C7 | S1 | N21 | H11 | 63.2° | 116.0° |
| S1 | C7 | C1 | C12 | 90.0° | 179.7° |
| S1 | C7 | C1 | C9 | 90.0° | 180.0° |
| S1 | C7 | C12 | C11 | 90.0° | 179.7° |
| S1 | C7 | C1 | C22 | 90.0° | 0.1° |
| S1 | C7 | C12 | H4 | 90.0° | 0.3° |
| C18 | C19 | C20 | H14 | 120.3° | 120.0° |
| C18 | C19 | C20 | H15 | 120.3° | 120.0° |
| C18 | C19 | C20 | N21 | 129.9° | 180.0° |
| C19 | C18 | C17 | H16 | 119.8° | 120.0° |
| C19 | C18 | C17 | H17 | 119.8° | 120.1° |
| C19 | C18 | C17 | C16 | 135.6° | 180.0° |
| C18 | C19 | C20 | H12 | 110.6° | 60.0° |
| C18 | C19 | C20 | H13 | 10.3° | 60.0° |
| C18 | C19 | H14 | H15 | 119.2° | 120.0° |
| C19 | C18 | H16 | H17 | 120.6° | 120.0° |
| C19 | C18 | C17 | H18 | 102.5° | 60.0° |
| C19 | C18 | C17 | H19 | 13.8° | 60.0° |
| C19 | C20 | N21 | S1 | 142.7° | 163.8° |
| C19 | C20 | N21 | H12 | 119.6° | 120.0° |
| C19 | C20 | N21 | H13 | 119.5° | 120.0° |
| C20 | C19 | C18 | C17 | 95.6° | 180.0° |
| C19 | C20 | N21 | H11 | 22.6° | 16.3° |
| C19 | C20 | H12 | H13 | 121.3° | 120.0° |
| C20 | C19 | H14 | H15 | 119.2° | 120.0° |
| C20 | C19 | C18 | H16 | 144.6° | 60.0° |
| C20 | C19 | C18 | H17 | 24.2° | 60.0° |
| O4 | S1 | N21 | O2 | 115.6° | 132.9° |
| O4 | S1 | N21 | C20 | 59.1° | 177.5° |
| O4 | S1 | N21 | H11 | 61.1° | 2.5° |
| O4 | S1 | C7 | C1 | 72.5° | 49.2° |
| O4 | S1 | C7 | C12 | 72.5° | 130.5° |
| S1 | N21 | C20 | H11 | 120.1° | 180.0° |
| S1 | N21 | C20 | H12 | 23.2° | 76.2° |
| S1 | N21 | C20 | H13 | 97.7° | 43.8° |
| N21 | S1 | C7 | C1 | 45.2° | 64.3° |
| N21 | S1 | C7 | C12 | 45.2° | 116.0° |
| C20 | N21 | S1 | O2 | 56.6° | 49.6° |
| N21 | C20 | H12 | H13 | 121.3° | 120.0° |
| N21 | C20 | C19 | H14 | 9.6° | 60.0° |
| N21 | C20 | C19 | H15 | 109.9° | 60.1° |
| C4 | C3 | C2 | H24 | 119.4° | 118.7° |
| C4 | C3 | C2 | H25 | 119.4° | 118.7° |
| C3 | C4 | N7 | C15 | 156.6° | 87.8° |
| C3 | C4 | N7 | C5 | 114.5° | 117.2° |
| C3 | C4 | N7 | H1 | 119.8° | 121.4° |
| C3 | C4 | C5 | H1 | 116.8° | 119.4° |
| C4 | C3 | C2 | O11 | 163.9° | 156.2° |
| C4 | C3 | C2 | C6 | 40.4° | 37.9° |
| C3 | C4 | C5 | C6 | 13.4° | 0.0° |
| C3 | C4 | C5 | C8 | 148.0° | 119.3° |
| C3 | C4 | C5 | H2 | 96.3° | 119.4° |
| C3 | C4 | N7 | H22 | 36.4° | 36.1° |
| C4 | C3 | H24 | H25 | 121.8° | 122.7° |
| C4 | C3 | C2 | H28 | 73.7° | 80.4° |
| C2 | C3 | C4 | N7 | 139.2° | 142.9° |
| C2 | C3 | C4 | C5 | 16.3° | 23.6° |
| C3 | C2 | O11 | C6 | 116.2° | 113.4° |
| C3 | C2 | O11 | H28 | 121.7° | 123.4° |
| C3 | C2 | C6 | H28 | 114.0° | 118.4° |
| C3 | C2 | C6 | C5 | 48.6° | 37.9° |
| C3 | C2 | C6 | O10 | 63.7° | 80.7° |
| C2 | C3 | C4 | H1 | 100.3° | 95.7° |
| C3 | C2 | C6 | H3 | 169.3° | 156.7° |
| C2 | C3 | H24 | H25 | 121.8° | 122.6° |
| C3 | C2 | O11 | H29 | 180.0° | 61.4° |
| O2 | S1 | N21 | H11 | 176.7° | 130.5° |
| O2 | S1 | C7 | C1 | 170.0° | 177.8° |
| O2 | S1 | C7 | C12 | 170.0° | 2.5° |
| C18 | C17 | C16 | C15 | 160.7° | NaN° |
| C18 | C17 | C16 | H18 | 121.9° | 120.0° |
| C18 | C17 | C16 | H19 | 121.9° | 120.0° |
| C17 | C18 | C19 | H14 | 144.1° | 60.0° |
| C17 | C18 | C19 | H15 | 24.7° | 60.0° |
| C17 | C18 | H16 | H17 | 120.7° | 120.0° |
| C18 | C17 | C16 | H20 | 80.1° | 60.0° |
| C18 | C17 | C16 | H21 | 41.4° | 60.0° |
| C18 | C17 | H18 | H19 | 113.8° | 120.0° |
| C15 | C16 | C17 | H20 | 119.3° | 120.0° |
| C15 | C16 | C17 | H21 | 119.3° | 120.0° |
| C16 | C15 | N7 | H9 | 120.4° | 120.0° |
| C16 | C15 | N7 | H10 | 120.4° | 120.0° |
| C16 | C15 | N7 | C4 | 175.5° | 180.0° |
| C16 | C15 | H9 | H10 | 118.8° | 120.0° |
| C15 | C16 | H20 | H21 | 122.0° | 120.0° |
| C16 | C15 | N7 | H22 | 55.3° | 56.1° |
| C15 | C16 | C17 | H18 | 77.5° | 60.0° |
| C15 | C16 | C17 | H19 | 38.8° | 60.0° |
| C17 | C16 | C15 | N7 | 170.2° | 180.0° |
| C17 | C16 | C15 | H9 | 49.8° | 60.0° |
| C17 | C16 | C15 | H10 | 69.4° | 60.0° |
| C16 | C17 | C18 | H16 | 15.9° | 60.0° |
| C16 | C17 | C18 | H17 | 104.6° | 59.9° |
| C17 | C16 | H20 | H21 | 122.0° | 120.0° |
| C16 | C17 | H18 | H19 | 113.9° | 120.0° |
| C15 | N7 | C4 | H22 | 120.2° | 123.9° |
| C15 | N7 | C4 | C5 | 88.9° | 155.1° |
| C15 | N7 | C4 | H1 | 36.8° | 33.6° |
| N7 | C15 | H9 | H10 | 118.8° | 120.0° |
| N7 | C15 | C16 | H20 | 50.9° | 60.0° |
| N7 | C15 | C16 | H21 | 70.5° | 60.1° |
| N7 | C4 | C5 | H1 | 126.4° | 121.4° |
| N7 | C4 | C5 | C6 | 103.5° | 119.3° |
| N7 | C4 | C5 | C8 | 31.2° | 0.0° |
| N7 | C4 | C5 | H2 | 146.9° | 121.4° |
| C4 | N7 | C15 | H9 | 64.1° | 60.0° |
| C4 | N7 | C15 | H10 | 55.1° | 60.0° |
| N7 | C4 | C3 | H24 | 101.4° | 98.5° |
| N7 | C4 | C3 | H25 | 19.8° | 24.3° |
| C4 | C5 | C6 | C2 | 38.4° | 23.6° |
| C4 | C5 | C6 | C8 | 133.8° | 119.3° |
| C4 | C5 | C6 | H2 | 109.3° | 119.3° |
| C4 | C5 | C8 | H2 | 115.3° | 121.3° |
| C4 | C5 | C6 | O10 | 74.6° | 95.1° |
| C4 | C5 | C8 | O9 | 172.0° | 175.0° |
| C4 | C5 | C6 | H3 | 159.4° | 142.4° |
| C4 | C5 | C8 | H7 | 68.0° | 65.0° |
| C4 | C5 | C8 | H8 | 52.0° | 54.9° |
| C5 | C4 | N7 | H22 | 150.9° | 81.0° |
| C5 | C4 | C3 | H24 | 135.7° | 142.3° |
| C5 | C4 | C3 | H25 | 103.1° | 95.0° |
| O11 | C2 | C6 | H28 | 122.6° | 123.3° |
| O11 | C2 | C6 | C5 | 171.9° | 156.3° |
| O11 | C2 | C6 | O10 | 59.7° | 37.6° |
| O11 | C2 | C6 | H3 | 67.3° | 85.0° |
| O11 | C2 | C3 | H24 | 76.7° | 85.1° |
| O11 | C2 | C3 | H25 | 44.6° | 37.6° |
| C2 | C6 | C5 | O10 | 113.0° | 118.6° |
| C2 | C6 | C5 | H3 | 121.0° | 118.9° |
| C2 | C6 | C5 | C8 | 172.2° | 142.9° |
| C2 | C6 | O10 | H3 | 126.2° | 122.7° |
| C2 | C6 | C5 | H2 | 71.0° | 95.7° |
| C6 | C2 | C3 | H24 | 159.8° | 156.6° |
| C6 | C2 | C3 | H25 | 79.0° | 80.7° |
| C2 | C6 | O10 | H27 | 180.0° | 65.3° |
| C6 | C2 | O11 | H29 | 63.8° | 174.8° |
| C6 | C5 | C8 | H2 | 116.7° | 121.4° |
| C5 | C6 | O10 | H3 | 124.9° | 122.5° |
| C6 | C5 | C8 | O9 | 60.0° | 67.8° |
| C6 | C5 | C4 | H1 | 130.2° | 119.3° |
| C6 | C5 | C8 | H7 | 60.0° | 52.2° |
| C6 | C5 | C8 | H8 | 180.0° | 172.2° |
| C5 | C6 | O10 | H27 | 71.1° | 180.0° |
| C5 | C6 | C2 | H28 | 65.5° | 80.4° |
| C8 | C5 | C6 | O10 | 59.2° | 24.3° |
| C5 | C8 | O9 | H7 | 120.0° | 120.0° |
| C5 | C8 | O9 | H8 | 120.0° | 120.0° |
| C8 | C5 | C4 | H1 | 95.2° | 121.3° |
| C8 | C5 | C6 | H3 | 66.8° | 98.2° |
| C5 | C8 | H7 | H8 | 120.0° | 120.0° |
| C5 | C8 | O9 | H26 | 180.0° | 180.0° |
| O10 | C6 | C5 | H2 | 176.0° | 145.7° |
| O10 | C6 | C2 | H28 | 177.7° | 161.0° |
| O9 | C8 | C5 | H2 | 56.6° | 53.6° |
| O9 | C8 | H7 | H8 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 20.5° | 0.0° |
| H1 | C4 | N7 | H22 | 83.4° | 157.6° |
| H1 | C4 | C3 | H24 | 19.0° | 22.9° |
| H1 | C4 | C3 | H25 | 140.3° | 145.6° |
| H2 | C5 | C6 | H3 | 50.1° | 23.2° |
| H2 | C5 | C8 | H7 | 176.6° | 173.7° |
| H2 | C5 | C8 | H8 | 63.4° | 66.4° |
| H3 | C6 | O10 | H27 | 53.8° | 57.4° |
| H3 | C6 | C2 | H28 | 55.3° | 38.3° |
| H7 | C8 | O9 | H26 | 60.0° | 60.0° |
| H8 | C8 | O9 | H26 | 60.0° | 60.0° |
| H9 | C15 | C16 | H20 | 69.5° | 60.0° |
| H9 | C15 | C16 | H21 | 169.1° | 180.0° |
| H9 | C15 | N7 | H22 | 175.7° | 176.1° |
| H10 | C15 | C16 | H20 | 171.3° | 180.0° |
| H10 | C15 | C16 | H21 | 49.9° | 60.0° |
| H10 | C15 | N7 | H22 | 65.1° | 63.9° |
| H11 | N21 | C20 | H12 | 97.0° | 103.8° |
| H11 | N21 | C20 | H13 | 142.1° | 136.2° |
| H12 | C20 | C19 | H14 | 129.2° | 180.0° |
| H12 | C20 | C19 | H15 | 9.7° | 60.0° |
| H13 | C20 | C19 | H14 | 110.0° | 60.0° |
| H13 | C20 | C19 | H15 | 130.6° | 180.0° |
| H14 | C19 | C18 | H16 | 24.3° | 180.0° |
| H14 | C19 | C18 | H17 | 96.1° | 60.1° |
| H15 | C19 | C18 | H16 | 95.1° | 60.0° |
| H15 | C19 | C18 | H17 | 144.4° | 179.9° |
| H16 | C18 | C17 | H18 | 137.7° | 180.0° |
| H16 | C18 | C17 | H19 | 106.0° | 60.0° |
| H17 | C18 | C17 | H18 | 17.3° | 60.1° |
| H17 | C18 | C17 | H19 | 133.5° | 179.9° |
| H20 | C16 | C17 | H18 | 41.8° | 60.0° |
| H20 | C16 | C17 | H19 | 158.1° | 180.0° |
| H21 | C16 | C17 | H18 | 163.2° | 180.0° |
| H21 | C16 | C17 | H19 | 80.5° | 60.0° |
| H24 | C3 | C2 | H28 | 45.7° | 38.3° |
| H25 | C3 | C2 | H28 | 166.9° | 160.9° |
| H28 | C2 | O11 | H29 | 58.3° | 61.9° |
| C7 | C1 | C9 | C22 | 90.0° | 179.9° |
| C7 | C1 | C9 | C10 | 90.0° | 0.0° |
| C1 | C7 | C12 | C11 | 90.0° | 0.6° |
| C7 | C1 | C9 | C13 | 90.0° | 180.0° |
| C7 | C1 | C22 | C21 | 90.0° | 180.0° |
| C1 | C7 | C12 | H4 | 90.0° | 180.0° |
| C7 | C1 | C22 | H31 | 90.0° | 0.1° |
| C1 | C9 | C10 | C13 | 90.0° | 180.0° |
| C1 | C9 | C10 | C11 | 90.0° | 0.0° |
| C9 | C1 | C7 | C12 | 90.0° | 0.3° |
| C1 | C9 | C13 | C14 | 90.0° | 0.0° |
| C9 | C1 | C22 | C21 | 90.0° | 0.1° |
| C1 | C9 | C13 | N1 | 90.0° | 180.0° |
| C1 | C9 | C10 | H6 | 90.0° | 180.0° |
| C9 | C1 | C22 | H31 | 90.0° | 180.0° |
| C9 | C10 | C11 | H6 | 90.0° | 179.9° |
| C9 | C10 | C11 | C12 | 90.0° | 0.3° |
| C10 | C9 | C13 | C14 | 90.0° | 180.0° |
| C10 | C9 | C1 | C22 | 90.0° | 179.9° |
| C10 | C9 | C13 | N1 | 90.0° | 0.0° |
| C9 | C10 | C11 | H5 | 90.0° | 180.0° |
| C10 | C11 | C12 | H5 | 90.0° | 179.7° |
| C10 | C11 | C12 | C7 | 90.0° | 0.6° |
| C11 | C10 | C9 | C13 | 90.0° | 180.0° |
| C10 | C11 | C12 | H4 | 90.0° | 180.0° |
| C11 | C12 | C7 | H4 | 90.0° | 179.5° |
| C12 | C11 | C10 | H6 | 90.0° | 179.8° |
| C12 | C7 | C1 | C22 | 90.0° | 179.8° |
| C7 | C12 | C11 | H5 | 90.0° | 179.7° |
| C9 | C13 | C14 | N1 | 90.0° | 180.0° |
| C9 | C13 | C14 | C21 | 90.0° | 0.0° |
| C13 | C9 | C1 | C22 | 90.0° | 0.1° |
| C9 | C13 | N1 | C24 | 90.0° | 120.0° |
| C9 | C13 | N1 | C25 | 90.0° | 116.1° |
| C13 | C9 | C10 | H6 | 90.0° | 0.1° |
| C9 | C13 | C14 | H33 | 90.0° | 180.0° |
| C13 | C14 | C21 | H33 | 90.0° | 180.0° |
| C13 | C14 | C21 | C22 | 90.0° | 0.0° |
| C14 | C13 | N1 | C24 | 90.0° | 60.0° |
| C14 | C13 | N1 | C25 | 90.0° | 63.9° |
| C13 | C14 | C21 | H32 | 90.0° | 180.0° |
| C14 | C21 | C22 | H32 | 90.0° | 180.0° |
| C14 | C21 | C22 | C1 | 90.0° | 0.1° |
| C21 | C14 | C13 | N1 | 90.0° | 180.0° |
| C14 | C21 | C22 | H31 | 90.0° | 180.0° |
| C21 | C22 | C1 | H31 | 90.0° | 179.9° |
| C22 | C21 | C14 | H33 | 90.0° | 180.0° |
| C1 | C22 | C21 | H32 | 90.0° | 180.0° |
| C13 | N1 | C24 | C25 | 90.0° | 124.0° |
| N1 | C13 | C14 | H33 | 90.0° | 0.0° |
| C13 | N1 | C25 | H23 | 90.0° | 60.0° |
| C13 | N1 | C25 | H30 | 90.0° | 180.0° |
| C13 | N1 | C25 | H34 | 90.0° | 60.0° |
| C13 | N1 | C24 | H35 | 90.0° | 60.0° |
| C13 | N1 | C24 | H36 | 90.0° | 179.9° |
| C13 | N1 | C24 | H37 | 90.0° | 60.0° |
| C24 | N1 | C25 | H23 | 90.0° | 176.0° |
| C24 | N1 | C25 | H30 | 90.0° | 56.1° |
| C24 | N1 | C25 | H34 | 90.0° | 64.0° |
| N1 | C24 | H35 | H36 | 90.0° | 120.0° |
| N1 | C24 | H35 | H37 | 90.0° | 120.0° |
| N1 | C24 | H36 | H37 | 90.0° | 120.1° |
| N1 | C25 | H23 | H30 | 90.0° | 120.0° |
| N1 | C25 | H23 | H34 | 90.0° | 120.0° |
| N1 | C25 | H30 | H34 | 90.0° | 120.0° |
| C25 | N1 | C24 | H35 | 90.0° | 63.9° |
| C25 | N1 | C24 | H36 | 90.0° | 56.0° |
| C25 | N1 | C24 | H37 | 90.0° | 176.0° |
| H4 | C12 | C11 | H5 | 90.0° | 0.2° |
| H5 | C11 | C10 | H6 | 90.0° | 0.0° |
| H31 | C22 | C21 | H32 | 90.0° | 0.1° |
| H32 | C21 | C14 | H33 | 90.0° | 0.0° |
| H23 | C25 | H30 | H34 | 90.0° | 120.0° |
| H35 | C24 | H36 | H37 | 90.0° | 120.0° |
