A1ITQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | doub | 1.22Å | 1.23Å | |
| CL1 | C14 | sing | 1.74Å | 1.71Å | |
| S2 | C14 | sing | 1.71Å | 1.71Å | Aromatic |
| S2 | C11 | sing | 1.76Å | 1.72Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.48Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.46Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C22 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C15 | sing | 1.35Å | 1.33Å | |
| N4 | C7 | sing | 1.47Å | 1.45Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| CL2 | C21 | sing | 1.73Å | 1.74Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | C2 | sing | 1.81Å | 1.81Å | |
| N1 | C1 | sing | 1.35Å | 1.31Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | C11 | 120.4° | 120.0° |
| O3 | C10 | N3 | 122.7° | 120.0° |
| CL1 | C14 | S2 | 119.8° | 124.5° |
| CL1 | C14 | C13 | 127.3° | 124.5° |
| C14 | S2 | C11 | 90.5° | 91.6° |
| S2 | C14 | C13 | 112.9° | 110.9° |
| S2 | C11 | C10 | 116.6° | 125.5° |
| S2 | C11 | C12 | 111.8° | 109.1° |
| C11 | C10 | N3 | 116.9° | 120.0° |
| C10 | C11 | C12 | 131.6° | 125.5° |
| C10 | N3 | C9 | 121.8° | 120.0° |
| C10 | N3 | H25 | 119.1° | 120.0° |
| C14 | C13 | C12 | 111.6° | 115.1° |
| C14 | C13 | H6 | 124.2° | 122.4° |
| C11 | C12 | C13 | 113.0° | 113.3° |
| C11 | C12 | H7 | 123.5° | 123.3° |
| C12 | C13 | H6 | 124.2° | 122.5° |
| C13 | C12 | H7 | 123.5° | 123.4° |
| N3 | C9 | C8 | 112.1° | 109.5° |
| N3 | C9 | H11 | 108.8° | 109.5° |
| N3 | C9 | H12 | 108.8° | 109.5° |
| C9 | N3 | H25 | 119.1° | 120.1° |
| C9 | C8 | C7 | 112.5° | 109.5° |
| C9 | C8 | H9 | 108.7° | 109.5° |
| C9 | C8 | H10 | 108.7° | 109.4° |
| C8 | C9 | H11 | 108.8° | 109.5° |
| C8 | C9 | H12 | 108.8° | 109.4° |
| C15 | C16 | C17 | 111.4° | 109.5° |
| C16 | C15 | N4 | 116.3° | 120.0° |
| C16 | C15 | O4 | 121.5° | 120.0° |
| C15 | C16 | H4 | 109.0° | 109.5° |
| C15 | C16 | H5 | 109.0° | 109.4° |
| C16 | C17 | C22 | 120.6° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C17 | C16 | H4 | 109.0° | 109.5° |
| C17 | C16 | H5 | 109.0° | 109.5° |
| C8 | C7 | N4 | 111.0° | 109.5° |
| C8 | C7 | C6 | 111.1° | 109.5° |
| C8 | C7 | H8 | 107.5° | 109.4° |
| C7 | C8 | H9 | 108.7° | 109.5° |
| C7 | C8 | H10 | 108.7° | 109.5° |
| C17 | C22 | C21 | 120.3° | 120.0° |
| C22 | C17 | C18 | 118.4° | 120.0° |
| C17 | C22 | H21 | 119.9° | 120.0° |
| C22 | C21 | CL2 | 119.2° | 120.0° |
| C22 | C21 | C20 | 121.4° | 119.9° |
| C21 | C22 | H21 | 119.9° | 120.0° |
| C15 | N4 | C7 | 120.0° | 120.0° |
| N4 | C15 | O4 | 122.2° | 120.0° |
| C15 | N4 | H26 | 120.0° | 120.0° |
| N4 | C7 | C6 | 111.1° | 109.5° |
| N4 | C7 | H8 | 108.4° | 109.5° |
| C7 | N4 | H26 | 120.0° | 120.0° |
| CL2 | C21 | C20 | 119.4° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C17 | C18 | H1 | 119.6° | 120.0° |
| C7 | C6 | O2 | 120.1° | 120.0° |
| C7 | C6 | N2 | 117.0° | 120.0° |
| C6 | C7 | H8 | 107.4° | 109.5° |
| C21 | C20 | C19 | 118.6° | 120.0° |
| C21 | C20 | H3 | 120.7° | 120.0° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C19 | C18 | H1 | 119.7° | 120.0° |
| C18 | C19 | H2 | 119.7° | 120.0° |
| O2 | C6 | N2 | 122.9° | 120.0° |
| C6 | N2 | C5 | 125.0° | 120.0° |
| C6 | N2 | H24 | 117.5° | 120.0° |
| C20 | C19 | H2 | 119.7° | 120.0° |
| C19 | C20 | H3 | 120.7° | 120.0° |
| N2 | C5 | C4 | 112.3° | 109.5° |
| N2 | C5 | H13 | 108.8° | 109.4° |
| N2 | C5 | H14 | 108.8° | 109.5° |
| C5 | N2 | H24 | 117.5° | 119.9° |
| C5 | C4 | C3 | 112.5° | 109.5° |
| C4 | C5 | H13 | 108.7° | 109.5° |
| C4 | C5 | H14 | 108.8° | 109.5° |
| C5 | C4 | H15 | 108.7° | 109.5° |
| C5 | C4 | H16 | 108.7° | 109.4° |
| C4 | C3 | S1 | 114.1° | 109.4° |
| C3 | C4 | H15 | 108.7° | 109.5° |
| C3 | C4 | H16 | 108.7° | 109.5° |
| C4 | C3 | H17 | 108.3° | 109.5° |
| C4 | C3 | H18 | 108.3° | 109.4° |
| C3 | S1 | C2 | 101.4° | 102.9° |
| S1 | C3 | H17 | 108.3° | 109.4° |
| S1 | C3 | H18 | 108.3° | 109.5° |
| S1 | C2 | C1 | 111.1° | 109.4° |
| S1 | C2 | H19 | 109.1° | 109.5° |
| S1 | C2 | H20 | 109.1° | 109.5° |
| N1 | C1 | C2 | 115.9° | 120.0° |
| N1 | C1 | O1 | 124.0° | 120.0° |
| C1 | N1 | H22 | 120.0° | 120.0° |
| C1 | N1 | H23 | 120.0° | 120.0° |
| C2 | C1 | O1 | 120.1° | 120.0° |
| C1 | C2 | H19 | 109.1° | 109.4° |
| C1 | C2 | H20 | 109.1° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.4° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.4° | 109.6° |
| H22 | N1 | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | C11 | S2 | 21.9° | 179.9° |
| O3 | C10 | C11 | N3 | 179.6° | 179.9° |
| O3 | C10 | C11 | C12 | 158.0° | 0.0° |
| O3 | C10 | N3 | C9 | 2.6° | 0.0° |
| O3 | C10 | N3 | H25 | 177.4° | 180.0° |
| CL1 | C14 | S2 | C13 | 179.7° | 179.6° |
| CL1 | C14 | S2 | C11 | 175.3° | 179.7° |
| CL1 | C14 | C13 | C12 | 175.9° | 179.7° |
| CL1 | C14 | C13 | H6 | 4.1° | 0.4° |
| C14 | S2 | C11 | C10 | 176.0° | 180.0° |
| C14 | S2 | C11 | C12 | 3.9° | 0.0° |
| S2 | C14 | C13 | C12 | 3.7° | 0.1° |
| S2 | C14 | C13 | H6 | 176.3° | 180.0° |
| S2 | C11 | C10 | C12 | 179.9° | 180.0° |
| S2 | C11 | C10 | N3 | 157.7° | 0.0° |
| C11 | S2 | C14 | C13 | 4.4° | 0.1° |
| S2 | C11 | C12 | C13 | 2.6° | 0.0° |
| S2 | C11 | C12 | H7 | 177.4° | 180.0° |
| C10 | C11 | C12 | C13 | 177.3° | 180.0° |
| C11 | C10 | N3 | C9 | 177.0° | 180.0° |
| C10 | C11 | C12 | H7 | 2.7° | 0.0° |
| C11 | C10 | N3 | H25 | 3.0° | 0.0° |
| N3 | C10 | C11 | C12 | 22.4° | 180.0° |
| C10 | N3 | C9 | H25 | 180.0° | 180.0° |
| C10 | N3 | C9 | C8 | 119.4° | 180.0° |
| C10 | N3 | C9 | H11 | 120.2° | 60.0° |
| C10 | N3 | C9 | H12 | 1.0° | 60.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.1° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | H7 | 179.3° | 179.9° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | H6 | 179.3° | 179.9° |
| N3 | C9 | C8 | H11 | 120.4° | 120.0° |
| N3 | C9 | C8 | H12 | 120.4° | 120.0° |
| N3 | C9 | C8 | C7 | 38.1° | 180.0° |
| N3 | C9 | C8 | H9 | 82.4° | 60.0° |
| N3 | C9 | C8 | H10 | 158.6° | 60.0° |
| N3 | C9 | H11 | H12 | 118.8° | 120.0° |
| C9 | C8 | C7 | H9 | 120.5° | 120.0° |
| C9 | C8 | C7 | H10 | 120.5° | 120.0° |
| C9 | C8 | C7 | N4 | 66.1° | 65.0° |
| C9 | C8 | C7 | C6 | 169.7° | 175.0° |
| C9 | C8 | C7 | H8 | 52.4° | 55.0° |
| C9 | C8 | H9 | H10 | 118.6° | 120.0° |
| C8 | C9 | H11 | H12 | 118.8° | 119.9° |
| C8 | C9 | N3 | H25 | 60.6° | 0.0° |
| C15 | C16 | C17 | H4 | 120.3° | 120.0° |
| C15 | C16 | C17 | H5 | 120.3° | 120.0° |
| C15 | C16 | C17 | C22 | 125.5° | 90.0° |
| C16 | C15 | N4 | O4 | 179.8° | 179.9° |
| C16 | C15 | N4 | C7 | 173.2° | 180.0° |
| C15 | C16 | C17 | C18 | 54.2° | 90.0° |
| C15 | C16 | H4 | H5 | 119.1° | 119.9° |
| C16 | C15 | N4 | H26 | 6.8° | 0.0° |
| C16 | C17 | C22 | C18 | 179.7° | 179.9° |
| C16 | C17 | C22 | C21 | 179.6° | 179.5° |
| C17 | C16 | C15 | N4 | 82.1° | 180.0° |
| C17 | C16 | C15 | O4 | 97.8° | 0.1° |
| C16 | C17 | C18 | C19 | 179.8° | 180.0° |
| C16 | C17 | C18 | H1 | 0.2° | 0.4° |
| C17 | C16 | H4 | H5 | 119.1° | 120.0° |
| C16 | C17 | C22 | H21 | 0.3° | 0.1° |
| C8 | C7 | N4 | C15 | 139.7° | 60.0° |
| C8 | C7 | N4 | C6 | 124.3° | 120.0° |
| C8 | C7 | N4 | H8 | 117.9° | 120.0° |
| C8 | C7 | C6 | H8 | 117.3° | 120.0° |
| C8 | C7 | C6 | O2 | 52.6° | 100.0° |
| C8 | C7 | C6 | N2 | 127.9° | 80.0° |
| C7 | C8 | H9 | H10 | 118.6° | 120.0° |
| C7 | C8 | C9 | H11 | 158.5° | 60.0° |
| C7 | C8 | C9 | H12 | 82.3° | 60.0° |
| C8 | C7 | N4 | H26 | 40.4° | 120.0° |
| C17 | C22 | C21 | H21 | 180.0° | 179.6° |
| C17 | C22 | C21 | CL2 | 179.7° | 179.8° |
| C17 | C22 | C21 | C20 | 0.7° | 0.8° |
| C22 | C17 | C18 | C19 | 0.1° | 0.0° |
| C22 | C17 | C18 | H1 | 179.9° | 179.7° |
| C22 | C17 | C16 | H4 | 5.3° | 30.0° |
| C22 | C17 | C16 | H5 | 114.2° | 150.1° |
| C22 | C21 | CL2 | C20 | 179.6° | 179.5° |
| C21 | C22 | C17 | C18 | 0.7° | 0.5° |
| C22 | C21 | C20 | C19 | 0.2° | 0.6° |
| C22 | C21 | C20 | H3 | 179.8° | 179.5° |
| C15 | N4 | C7 | H26 | 180.0° | 180.0° |
| C15 | N4 | C7 | C6 | 96.1° | 60.0° |
| N4 | C15 | C16 | H4 | 38.2° | 59.9° |
| N4 | C15 | C16 | H5 | 157.7° | 60.0° |
| C15 | N4 | C7 | H8 | 21.8° | 180.0° |
| C7 | N4 | C15 | O4 | 6.9° | 0.0° |
| N4 | C7 | C6 | H8 | 118.5° | 120.1° |
| N4 | C7 | C6 | O2 | 176.8° | 19.9° |
| N4 | C7 | C6 | N2 | 3.7° | 160.0° |
| N4 | C7 | C8 | H9 | 173.5° | 55.0° |
| N4 | C7 | C8 | H10 | 54.4° | 175.0° |
| O4 | C15 | C16 | H4 | 141.9° | 120.0° |
| O4 | C15 | C16 | H5 | 22.5° | 120.1° |
| O4 | C15 | N4 | H26 | 173.1° | 180.0° |
| CL2 | C21 | C20 | C19 | 179.8° | 179.9° |
| CL2 | C21 | C20 | H3 | 0.2° | 0.0° |
| CL2 | C21 | C22 | H21 | 0.3° | 0.2° |
| C17 | C18 | C19 | H1 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.3° | 0.2° |
| C17 | C18 | C19 | H2 | 179.6° | 179.7° |
| C18 | C17 | C16 | H4 | 174.4° | 150.0° |
| C18 | C17 | C16 | H5 | 66.1° | 30.0° |
| C18 | C17 | C22 | H21 | 179.4° | 180.0° |
| C7 | C6 | O2 | N2 | 179.4° | 179.9° |
| C7 | C6 | N2 | C5 | 145.5° | 180.0° |
| C6 | C7 | C8 | H9 | 49.2° | 65.0° |
| C6 | C7 | C8 | H10 | 69.8° | 55.0° |
| C7 | C6 | N2 | H24 | 34.5° | 0.0° |
| C6 | C7 | N4 | H26 | 83.9° | 120.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H3 | 180.0° | 179.9° |
| C21 | C20 | C19 | H2 | 179.7° | 180.0° |
| C20 | C21 | C22 | H21 | 179.3° | 179.7° |
| C18 | C19 | C20 | H2 | 180.0° | 179.9° |
| C18 | C19 | C20 | H3 | 179.7° | 180.0° |
| O2 | C6 | N2 | C5 | 33.9° | 0.1° |
| O2 | C6 | C7 | H8 | 64.7° | 140.0° |
| O2 | C6 | N2 | H24 | 146.1° | 179.9° |
| C6 | N2 | C5 | H24 | 180.0° | 180.0° |
| C6 | N2 | C5 | C4 | 57.3° | 180.0° |
| N2 | C6 | C7 | H8 | 114.7° | 39.9° |
| C6 | N2 | C5 | H13 | 63.1° | 60.0° |
| C6 | N2 | C5 | H14 | 177.8° | 60.0° |
| C20 | C19 | C18 | H1 | 179.6° | 179.9° |
| N2 | C5 | C4 | H13 | 120.4° | 120.0° |
| N2 | C5 | C4 | H14 | 120.4° | 120.1° |
| N2 | C5 | C4 | C3 | 90.1° | 180.0° |
| N2 | C5 | H13 | H14 | 118.7° | 120.0° |
| N2 | C5 | C4 | H15 | 30.3° | 59.9° |
| N2 | C5 | C4 | H16 | 149.4° | 60.0° |
| C5 | C4 | C3 | H15 | 120.4° | 120.0° |
| C5 | C4 | C3 | H16 | 120.4° | 119.9° |
| C5 | C4 | C3 | S1 | 69.1° | 180.0° |
| C4 | C5 | H13 | H14 | 118.7° | 120.0° |
| C5 | C4 | H15 | H16 | 118.6° | 119.9° |
| C5 | C4 | C3 | H17 | 51.6° | 60.0° |
| C5 | C4 | C3 | H18 | 170.2° | 60.1° |
| C4 | C5 | N2 | H24 | 122.7° | 0.0° |
| C4 | C3 | S1 | H17 | 120.7° | 120.0° |
| C4 | C3 | S1 | H18 | 120.7° | 120.0° |
| C4 | C3 | S1 | C2 | 109.3° | 180.0° |
| C3 | C4 | C5 | H13 | 149.4° | 60.0° |
| C3 | C4 | C5 | H14 | 30.3° | 59.9° |
| C3 | C4 | H15 | H16 | 118.7° | 120.0° |
| C4 | C3 | H17 | H18 | 117.9° | 120.0° |
| C3 | S1 | C2 | C1 | 130.3° | 180.0° |
| S1 | C3 | C4 | H15 | 170.5° | 60.0° |
| S1 | C3 | C4 | H16 | 51.3° | 60.0° |
| S1 | C3 | H17 | H18 | 117.9° | 120.0° |
| C3 | S1 | C2 | H19 | 10.0° | 60.1° |
| C3 | S1 | C2 | H20 | 109.4° | 60.0° |
| S1 | C2 | C1 | N1 | 119.6° | 180.0° |
| S1 | C2 | C1 | H19 | 120.3° | 119.9° |
| S1 | C2 | C1 | H20 | 120.3° | 120.0° |
| S1 | C2 | C1 | O1 | 60.2° | 0.0° |
| C2 | S1 | C3 | H17 | 130.0° | 60.0° |
| C2 | S1 | C3 | H18 | 11.4° | 60.0° |
| S1 | C2 | H19 | H20 | 119.2° | 120.0° |
| N1 | C1 | C2 | O1 | 179.9° | 180.0° |
| N1 | C1 | C2 | H19 | 0.6° | 60.1° |
| N1 | C1 | C2 | H20 | 120.1° | 60.0° |
| C1 | N1 | H22 | H23 | 180.0° | 180.0° |
| C1 | C2 | H19 | H20 | 119.2° | 120.1° |
| C2 | C1 | N1 | H22 | 179.8° | 180.0° |
| C2 | C1 | N1 | H23 | 0.2° | 0.0° |
| O1 | C1 | C2 | H19 | 179.5° | 120.0° |
| O1 | C1 | C2 | H20 | 60.1° | 119.9° |
| O1 | C1 | N1 | H22 | 0.0° | 0.0° |
| O1 | C1 | N1 | H23 | 180.0° | 180.0° |
| H1 | C18 | C19 | H2 | 0.4° | 0.0° |
| H2 | C19 | C20 | H3 | 0.3° | 0.1° |
| H6 | C13 | C12 | H7 | 0.7° | 0.0° |
| H8 | C7 | C8 | H9 | 68.1° | 175.0° |
| H8 | C7 | C8 | H10 | 172.8° | 65.0° |
| H8 | C7 | N4 | H26 | 158.2° | 0.0° |
| H9 | C8 | C9 | H11 | 38.0° | 180.0° |
| H9 | C8 | C9 | H12 | 157.2° | 60.0° |
| H10 | C8 | C9 | H11 | 81.1° | 60.1° |
| H10 | C8 | C9 | H12 | 38.2° | 180.0° |
| H11 | C9 | N3 | H25 | 59.8° | 120.0° |
| H12 | C9 | N3 | H25 | 179.0° | 119.9° |
| H13 | C5 | C4 | H15 | 90.1° | 60.0° |
| H13 | C5 | C4 | H16 | 29.0° | 180.0° |
| H13 | C5 | N2 | H24 | 116.9° | 120.0° |
| H14 | C5 | C4 | H15 | 150.7° | 180.0° |
| H14 | C5 | C4 | H16 | 90.2° | 60.0° |
| H14 | C5 | N2 | H24 | 2.2° | 120.0° |
| H15 | C4 | C3 | H17 | 68.9° | 179.9° |
| H15 | C4 | C3 | H18 | 49.8° | 60.0° |
| H16 | C4 | C3 | H17 | 172.0° | 59.9° |
| H16 | C4 | C3 | H18 | 69.3° | 180.0° |
