MBK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | doub | 1.22Å | 1.23Å | |
| N2 | C3 | sing | 1.35Å | 1.40Å | |
| N2 | C4 | sing | 1.35Å | 1.41Å | |
| O1 | C4 | doub | 1.22Å | 1.22Å | |
| C6 | N4 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.41Å | 1.42Å | |
| C4 | N1 | sing | 1.35Å | 1.36Å | |
| C2 | N4 | sing | 1.41Å | 1.39Å | |
| C2 | C1 | doub | 1.37Å | 1.41Å | |
| N1 | C1 | sing | 1.38Å | 1.37Å | |
| N1 | C5 | sing | 1.46Å | 1.50Å | |
| N4 | S1 | sing | 1.66Å | 1.97Å | |
| C1 | N3 | sing | 1.38Å | 1.35Å | |
| C5 | C13 | sing | 1.51Å | 1.38Å | |
| N3 | C19 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | S1 | sing | 1.76Å | 1.74Å | |
| C7 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.52Å | |
| S1 | O4 | doub | 1.42Å | 1.51Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C16 | BR1 | sing | 1.89Å | 1.91Å | |
| N5 | C22 | sing | 1.47Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 1.01Å | 1.00Å | |
| N5 | H26 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C3 | N2 | 116.9° | 120.2° |
| O2 | C3 | C2 | 124.5° | 120.2° |
| C3 | N2 | C4 | 120.3° | 120.6° |
| N2 | C3 | C2 | 118.6° | 119.6° |
| C3 | N2 | H23 | 119.8° | 119.7° |
| N2 | C4 | O1 | 117.6° | 119.5° |
| N2 | C4 | N1 | 121.3° | 121.1° |
| C4 | N2 | H23 | 119.8° | 119.7° |
| O1 | C4 | N1 | 121.1° | 119.5° |
| C6 | N4 | C2 | 115.4° | 120.0° |
| C6 | N4 | S1 | 109.5° | 120.0° |
| N4 | C6 | H18 | 109.5° | 109.5° |
| N4 | C6 | H19 | 109.5° | 109.5° |
| N4 | C6 | H20 | 109.5° | 109.5° |
| C3 | C2 | N4 | 123.5° | 120.5° |
| C3 | C2 | C1 | 118.3° | 119.0° |
| C4 | N1 | C1 | 119.0° | 120.4° |
| C4 | N1 | C5 | 120.6° | 119.8° |
| N4 | C2 | C1 | 118.1° | 120.5° |
| C2 | N4 | S1 | 123.5° | 120.0° |
| C2 | C1 | N1 | 122.4° | 119.3° |
| C2 | C1 | N3 | 115.2° | 120.3° |
| C1 | N1 | C5 | 120.3° | 119.8° |
| N1 | C1 | N3 | 122.4° | 120.4° |
| N1 | C5 | C13 | 117.7° | 109.5° |
| N1 | C5 | H16 | 107.4° | 109.5° |
| N1 | C5 | H17 | 107.4° | 109.5° |
| N4 | S1 | C7 | 105.8° | 107.2° |
| N4 | S1 | O3 | 116.6° | 106.4° |
| N4 | S1 | O4 | 109.5° | 106.4° |
| C1 | N3 | C19 | 125.1° | 120.0° |
| C1 | N3 | H24 | 105.4° | 120.0° |
| C5 | C13 | C18 | 125.7° | 120.0° |
| C5 | C13 | C14 | 116.0° | 120.0° |
| C13 | C5 | H16 | 107.4° | 109.4° |
| C13 | C5 | H17 | 107.4° | 109.5° |
| N3 | C19 | C20 | 108.7° | 109.5° |
| N3 | C19 | H8 | 109.7° | 109.4° |
| N3 | C19 | H9 | 109.7° | 109.4° |
| C19 | N3 | H24 | 105.4° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C9 | C8 | H21 | 120.2° | 120.0° |
| C8 | C9 | H22 | 119.9° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | H1 | 120.2° | 120.0° |
| C10 | C9 | H22 | 119.9° | 120.0° |
| C8 | C7 | S1 | 119.7° | 120.0° |
| C8 | C7 | C12 | 120.3° | 120.0° |
| C7 | C8 | H21 | 120.2° | 120.0° |
| C18 | C13 | C14 | 118.2° | 120.0° |
| C13 | C18 | C17 | 120.2° | 120.0° |
| C13 | C18 | H7 | 119.9° | 120.0° |
| C13 | C14 | C15 | 121.9° | 120.0° |
| C13 | C14 | H4 | 119.1° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C11 | C10 | H1 | 120.2° | 120.0° |
| C10 | C11 | H2 | 119.7° | 120.0° |
| S1 | C7 | C12 | 120.0° | 120.0° |
| C7 | S1 | O3 | 106.6° | 106.4° |
| C7 | S1 | O4 | 110.7° | 106.4° |
| C7 | C12 | C11 | 119.7° | 119.9° |
| C7 | C12 | H3 | 120.1° | 120.0° |
| O3 | S1 | O4 | 107.6° | 123.2° |
| C12 | C11 | H2 | 119.8° | 119.9° |
| C11 | C12 | H3 | 120.1° | 120.1° |
| C18 | C17 | C16 | 121.1° | 120.0° |
| C18 | C17 | H6 | 119.5° | 120.0° |
| C17 | C18 | H7 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C15 | C14 | H4 | 119.1° | 120.0° |
| C14 | C15 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C20 | C19 | H8 | 109.7° | 109.5° |
| C20 | C19 | H9 | 109.7° | 109.5° |
| C19 | C20 | H10 | 109.3° | 109.5° |
| C19 | C20 | H11 | 109.3° | 109.4° |
| C20 | C21 | C22 | 113.0° | 109.5° |
| C21 | C20 | H10 | 109.3° | 109.5° |
| C21 | C20 | H11 | 109.3° | 109.5° |
| C20 | C21 | H12 | 108.6° | 109.5° |
| C20 | C21 | H13 | 108.5° | 109.5° |
| C17 | C16 | C15 | 119.5° | 120.0° |
| C17 | C16 | BR1 | 120.3° | 120.0° |
| C16 | C17 | H6 | 119.4° | 120.0° |
| C15 | C16 | BR1 | 120.3° | 120.0° |
| C16 | C15 | H5 | 120.4° | 120.0° |
| C21 | C22 | N5 | 109.9° | 109.5° |
| C22 | C21 | H12 | 108.6° | 109.4° |
| C22 | C21 | H13 | 108.6° | 109.5° |
| C21 | C22 | H14 | 109.4° | 109.4° |
| C21 | C22 | H15 | 109.4° | 109.5° |
| N5 | C22 | H14 | 109.3° | 109.4° |
| N5 | C22 | H15 | 109.4° | 109.5° |
| C22 | N5 | H25 | 109.5° | 111.0° |
| C22 | N5 | H26 | 109.5° | 111.0° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.5° |
| H18 | C6 | H20 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.5° |
| H25 | N5 | H26 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | N2 | C2 | 179.2° | 180.0° |
| O2 | C3 | N2 | C4 | 178.8° | 179.7° |
| O2 | C3 | C2 | N4 | 2.3° | 0.0° |
| O2 | C3 | C2 | C1 | 179.5° | 180.0° |
| O2 | C3 | N2 | H23 | 1.2° | 0.0° |
| C3 | N2 | C4 | H23 | 180.0° | 179.7° |
| C3 | N2 | C4 | O1 | 179.6° | 179.7° |
| C3 | N2 | C4 | N1 | 2.4° | 0.4° |
| N2 | C3 | C2 | N4 | 178.5° | 180.0° |
| N2 | C3 | C2 | C1 | 1.3° | 0.0° |
| N2 | C4 | O1 | N1 | 178.0° | 179.9° |
| C4 | N2 | C3 | C2 | 2.0° | 0.3° |
| N2 | C4 | N1 | C1 | 2.0° | 0.1° |
| N2 | C4 | N1 | C5 | 178.4° | 180.0° |
| O1 | C4 | N1 | C1 | 180.0° | 180.0° |
| O1 | C4 | N1 | C5 | 3.7° | 0.1° |
| O1 | C4 | N2 | H23 | 0.4° | 0.1° |
| C6 | N4 | C2 | C3 | 51.2° | 148.6° |
| C6 | N4 | C2 | S1 | 139.3° | 180.0° |
| C6 | N4 | C2 | C1 | 126.0° | 31.4° |
| C6 | N4 | S1 | C7 | 90.1° | 76.3° |
| C6 | N4 | S1 | O3 | 28.2° | 170.2° |
| C6 | N4 | S1 | O4 | 150.6° | 37.2° |
| N4 | C6 | H18 | H19 | 120.0° | 120.0° |
| N4 | C6 | H18 | H20 | 120.0° | 120.0° |
| N4 | C6 | H19 | H20 | 120.0° | 120.0° |
| C3 | C2 | N4 | C1 | 177.2° | 180.0° |
| C3 | C2 | C1 | N1 | 1.0° | 0.3° |
| C3 | C2 | N4 | S1 | 88.1° | 31.4° |
| C3 | C2 | C1 | N3 | 177.6° | 180.0° |
| C2 | C3 | N2 | H23 | 178.0° | 180.0° |
| C4 | N1 | C1 | C2 | 1.3° | 0.3° |
| C4 | N1 | C1 | C5 | 176.4° | 179.9° |
| C4 | N1 | C1 | N3 | 177.2° | 180.0° |
| C4 | N1 | C5 | C13 | 80.7° | 93.9° |
| C4 | N1 | C5 | H16 | 40.4° | 26.0° |
| C4 | N1 | C5 | H17 | 158.1° | 146.0° |
| N1 | C4 | N2 | H23 | 177.6° | 180.0° |
| N4 | C2 | C1 | N1 | 178.4° | 179.7° |
| N4 | C2 | C1 | N3 | 0.2° | 0.0° |
| C2 | N4 | S1 | C7 | 51.2° | 103.7° |
| C2 | N4 | S1 | O3 | 169.5° | 9.8° |
| C2 | N4 | S1 | O4 | 68.1° | 142.8° |
| C2 | N4 | C6 | H18 | 180.0° | 99.6° |
| C2 | N4 | C6 | H19 | 60.0° | 140.4° |
| C2 | N4 | C6 | H20 | 60.0° | 20.4° |
| C2 | C1 | N1 | N3 | 178.5° | 179.7° |
| C2 | C1 | N1 | C5 | 177.7° | 179.7° |
| C1 | C2 | N4 | S1 | 94.7° | 148.6° |
| C2 | C1 | N3 | C19 | 118.3° | 115.2° |
| C2 | C1 | N3 | H24 | 119.6° | 64.7° |
| C1 | N1 | C5 | C13 | 103.0° | 86.0° |
| N1 | C1 | N3 | C19 | 63.1° | 65.1° |
| C1 | N1 | C5 | H16 | 135.9° | 154.1° |
| C1 | N1 | C5 | H17 | 18.2° | 34.0° |
| N1 | C1 | N3 | H24 | 59.0° | 115.0° |
| C5 | N1 | C1 | N3 | 0.8° | 0.0° |
| N1 | C5 | C13 | H16 | 121.2° | 120.0° |
| N1 | C5 | C13 | H17 | 121.2° | 120.0° |
| N1 | C5 | C13 | C18 | 18.4° | 95.2° |
| N1 | C5 | C13 | C14 | 162.7° | 84.5° |
| N1 | C5 | H16 | H17 | 116.3° | 120.0° |
| N4 | S1 | C7 | C8 | 109.8° | 90.0° |
| N4 | S1 | C7 | O3 | 124.8° | 113.5° |
| N4 | S1 | C7 | O4 | 118.5° | 113.5° |
| N4 | S1 | C7 | C12 | 69.8° | 90.0° |
| N4 | S1 | O3 | O4 | 123.4° | 122.9° |
| S1 | N4 | C6 | H18 | 35.2° | 80.4° |
| S1 | N4 | C6 | H19 | 155.3° | 39.6° |
| S1 | N4 | C6 | H20 | 84.8° | 159.6° |
| C1 | N3 | C19 | H24 | 122.1° | 180.0° |
| C1 | N3 | C19 | C20 | 138.3° | 173.0° |
| C1 | N3 | C19 | H8 | 101.8° | 67.0° |
| C1 | N3 | C19 | H9 | 18.4° | 53.0° |
| C5 | C13 | C18 | C14 | 178.9° | 179.7° |
| C5 | C13 | C18 | C17 | 178.8° | 179.7° |
| C5 | C13 | C14 | C15 | 179.2° | 179.7° |
| C5 | C13 | C14 | H4 | 0.8° | 0.3° |
| C5 | C13 | C18 | H7 | 1.2° | 0.3° |
| C13 | C5 | H16 | H17 | 116.3° | 120.0° |
| N3 | C19 | C20 | H8 | 119.9° | 119.9° |
| N3 | C19 | C20 | H9 | 119.9° | 120.0° |
| N3 | C19 | C20 | C21 | 144.4° | 180.0° |
| N3 | C19 | H8 | H9 | 120.4° | 119.9° |
| N3 | C19 | C20 | H10 | 24.4° | 59.9° |
| N3 | C19 | C20 | H11 | 95.5° | 60.0° |
| C8 | C9 | C10 | H22 | 180.0° | 179.5° |
| C9 | C8 | C7 | H21 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.5° |
| C9 | C8 | C7 | S1 | 179.8° | 179.7° |
| C9 | C8 | C7 | C12 | 0.5° | 0.3° |
| C8 | C9 | C10 | H1 | 179.9° | 179.8° |
| C10 | C9 | C8 | C7 | 0.2° | 0.5° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C9 | C10 | C11 | H2 | 179.7° | 179.8° |
| C10 | C9 | C8 | H21 | 179.8° | 179.7° |
| C8 | C7 | S1 | C12 | 179.6° | 180.0° |
| C8 | C7 | S1 | O3 | 15.0° | 23.5° |
| C8 | C7 | S1 | O4 | 131.7° | 156.5° |
| C8 | C7 | C12 | C11 | 0.8° | 0.0° |
| C8 | C7 | C12 | H3 | 179.3° | 180.0° |
| C7 | C8 | C9 | H22 | 179.8° | 180.0° |
| C13 | C18 | C17 | H7 | 180.0° | 179.9° |
| C18 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C18 | C17 | C16 | 0.6° | 0.1° |
| C18 | C13 | C14 | H4 | 179.8° | 179.9° |
| C13 | C18 | C17 | H6 | 179.5° | 180.0° |
| C18 | C13 | C5 | H16 | 102.8° | 144.9° |
| C18 | C13 | C5 | H17 | 139.6° | 24.9° |
| C14 | C13 | C18 | C17 | 0.1° | 0.1° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C18 | H7 | 179.9° | 180.0° |
| C14 | C13 | C5 | H16 | 76.1° | 35.5° |
| C14 | C13 | C5 | H17 | 41.5° | 155.4° |
| C10 | C11 | C12 | C7 | 0.7° | 0.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H3 | 179.4° | 180.0° |
| C11 | C10 | C9 | H22 | 179.9° | 180.0° |
| C7 | S1 | O3 | O4 | 118.7° | 123.0° |
| S1 | C7 | C12 | C11 | 179.6° | 180.0° |
| S1 | C7 | C12 | H3 | 0.4° | 0.0° |
| S1 | C7 | C8 | H21 | 0.2° | 0.0° |
| C12 | C7 | S1 | O3 | 165.4° | 156.5° |
| C12 | C7 | S1 | O4 | 48.7° | 23.5° |
| C7 | C12 | C11 | H3 | 180.0° | 180.0° |
| C7 | C12 | C11 | H2 | 179.3° | 180.0° |
| C12 | C7 | C8 | H21 | 179.5° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C18 | C17 | C16 | H6 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C18 | C17 | C16 | BR1 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | BR1 | 179.6° | 179.9° |
| C19 | C20 | C21 | H10 | 120.1° | 120.0° |
| C19 | C20 | C21 | H11 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 124.6° | 180.0° |
| C20 | C19 | H8 | H9 | 120.3° | 120.1° |
| C19 | C20 | H10 | H11 | 119.8° | 120.0° |
| C19 | C20 | C21 | H12 | 4.0° | 60.0° |
| C19 | C20 | C21 | H13 | 114.9° | 60.0° |
| C20 | C19 | N3 | H24 | 16.2° | 6.9° |
| C20 | C21 | C22 | H12 | 120.5° | 120.0° |
| C20 | C21 | C22 | H13 | 120.5° | 120.0° |
| C20 | C21 | C22 | N5 | 80.0° | 180.0° |
| C21 | C20 | C19 | H8 | 95.7° | 60.1° |
| C21 | C20 | C19 | H9 | 24.6° | 60.0° |
| C21 | C20 | H10 | H11 | 119.7° | 120.0° |
| C20 | C21 | H12 | H13 | 118.3° | 120.0° |
| C20 | C21 | C22 | H14 | 40.0° | 60.0° |
| C20 | C21 | C22 | H15 | 159.9° | 60.0° |
| C17 | C16 | C15 | BR1 | 179.2° | 180.0° |
| C17 | C16 | C15 | H5 | 179.6° | 179.9° |
| C16 | C17 | C18 | H7 | 179.5° | 180.0° |
| C16 | C15 | C14 | H4 | 179.9° | 180.0° |
| C15 | C16 | C17 | H6 | 179.3° | 179.9° |
| C21 | C22 | N5 | H14 | 120.1° | 120.0° |
| C21 | C22 | N5 | H15 | 120.1° | 120.1° |
| C22 | C21 | C20 | H10 | 115.4° | 60.0° |
| C22 | C21 | C20 | H11 | 4.5° | 60.0° |
| C22 | C21 | H12 | H13 | 118.4° | 120.0° |
| C21 | C22 | H14 | H15 | 119.8° | 120.0° |
| C21 | C22 | N5 | H25 | 180.0° | 56.0° |
| C21 | C22 | N5 | H26 | 60.0° | 180.0° |
| BR1 | C16 | C15 | H5 | 0.4° | 0.1° |
| BR1 | C16 | C17 | H6 | 0.1° | 0.1° |
| N5 | C22 | C21 | H12 | 159.4° | 60.0° |
| N5 | C22 | C21 | H13 | 40.5° | 60.0° |
| N5 | C22 | H14 | H15 | 119.8° | 120.0° |
| C22 | N5 | H25 | H26 | 120.0° | 124.0° |
| H1 | C10 | C11 | H2 | 0.3° | 0.0° |
| H1 | C10 | C9 | H22 | 0.1° | 0.3° |
| H2 | C11 | C12 | H3 | 0.6° | 0.0° |
| H4 | C14 | C15 | H5 | 0.1° | 0.1° |
| H6 | C17 | C18 | H7 | 0.5° | 0.1° |
| H8 | C19 | C20 | H10 | 144.3° | 60.0° |
| H8 | C19 | C20 | H11 | 24.4° | 179.9° |
| H8 | C19 | N3 | H24 | 136.0° | 113.0° |
| H9 | C19 | C20 | H10 | 95.5° | 180.0° |
| H9 | C19 | C20 | H11 | 144.6° | 60.0° |
| H9 | C19 | N3 | H24 | 103.7° | 127.0° |
| H10 | C20 | C21 | H12 | 124.1° | NaN° |
| H10 | C20 | C21 | H13 | 5.2° | 60.0° |
| H11 | C20 | C21 | H12 | 116.1° | 60.0° |
| H11 | C20 | C21 | H13 | 125.0° | 180.0° |
| H12 | C21 | C22 | H14 | 80.5° | 180.0° |
| H12 | C21 | C22 | H15 | 39.4° | 60.1° |
| H13 | C21 | C22 | H14 | 160.5° | 60.0° |
| H13 | C21 | C22 | H15 | 79.6° | 180.0° |
| H14 | C22 | N5 | H25 | 59.9° | 63.9° |
| H14 | C22 | N5 | H26 | 179.9° | 60.0° |
| H15 | C22 | N5 | H25 | 59.9° | 176.1° |
| H15 | C22 | N5 | H26 | 60.1° | 60.0° |
| H18 | C6 | H19 | H20 | 120.0° | 120.0° |
| H21 | C8 | C9 | H22 | 0.2° | 0.3° |
