K3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.39Å | |
| C5 | S1 | sing | 1.76Å | 1.79Å | |
| S1 | N2 | sing | 1.66Å | 1.65Å | |
| N2 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.50Å | 1.52Å | |
| C8 | N3 | sing | 1.33Å | 1.36Å | |
| N3 | C9 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N2 | C10 | sing | 1.48Å | 1.49Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C8 | O3 | doub | 1.21Å | 1.25Å | |
| C12 | O4 | doub | 1.21Å | 1.19Å | |
| C12 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | C13 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | F1 | sing | 1.35Å | 1.36Å | |
| C20 | F2 | sing | 1.35Å | 1.36Å | |
| C14 | N5 | sing | 1.36Å | 1.39Å | |
| N5 | C22 | sing | 1.35Å | 1.41Å | |
| C22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C24 | N6 | sing | 1.36Å | 1.40Å | |
| C14 | N6 | doub | 1.30Å | 1.32Å | |
| C23 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.36Å | Aromatic |
| C24 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | O5 | doub | 1.22Å | 1.22Å | |
| N5 | C29 | sing | 1.40Å | 1.44Å | |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C35 | sing | 1.43Å | 1.42Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 117.6° | 119.9° |
| C2 | C1 | C6 | 121.2° | 119.9° |
| C1 | C2 | N1 | 121.7° | 120.1° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C2 | C3 | C4 | 121.3° | 119.9° |
| C3 | C2 | N1 | 120.8° | 120.0° |
| C2 | C3 | H2 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C3 | C4 | H3 | 119.8° | 119.9° |
| C4 | C3 | H2 | 119.4° | 120.1° |
| C4 | C5 | C6 | 119.2° | 120.2° |
| C4 | C5 | S1 | 119.6° | 119.9° |
| C5 | C4 | H3 | 119.8° | 120.0° |
| C5 | C6 | C1 | 120.2° | 120.1° |
| C6 | C5 | S1 | 121.1° | 119.9° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C1 | C6 | H4 | 119.9° | 119.9° |
| C6 | C1 | H1 | 119.4° | 120.1° |
| C2 | N1 | H6 | 109.5° | 120.0° |
| C2 | N1 | H5 | 109.5° | 120.1° |
| C5 | S1 | N2 | 109.5° | 107.2° |
| C5 | S1 | O1 | 107.2° | 106.4° |
| C5 | S1 | O2 | 107.7° | 106.4° |
| S1 | N2 | C7 | 118.0° | 121.4° |
| S1 | N2 | C10 | 118.7° | 121.5° |
| N2 | S1 | O1 | 106.9° | 106.4° |
| N2 | S1 | O2 | 106.1° | 106.4° |
| N2 | C7 | C8 | 118.6° | 108.9° |
| C7 | N2 | C10 | 117.0° | 117.1° |
| N2 | C7 | H7 | 107.2° | 109.5° |
| N2 | C7 | H8 | 107.1° | 109.6° |
| C7 | C8 | N3 | 115.1° | 123.1° |
| C7 | C8 | O3 | 118.9° | 118.4° |
| C8 | C7 | H7 | 107.1° | 109.6° |
| C8 | C7 | H8 | 107.2° | 109.6° |
| C8 | N3 | C9 | 121.8° | 124.6° |
| C8 | N3 | C11 | 122.8° | 117.7° |
| N3 | C8 | O3 | 126.0° | 118.5° |
| N3 | C9 | C10 | 111.0° | 110.8° |
| C9 | N3 | C11 | 115.3° | 117.7° |
| N3 | C9 | H9 | 109.1° | 109.2° |
| N3 | C9 | H10 | 109.1° | 109.2° |
| C9 | C10 | N2 | 112.6° | 107.9° |
| C9 | C10 | H12 | 108.7° | 110.1° |
| C9 | C10 | H11 | 108.7° | 109.6° |
| C10 | C9 | H9 | 109.1° | 109.2° |
| C10 | C9 | H10 | 109.1° | 109.2° |
| N2 | C10 | H12 | 108.7° | 109.8° |
| N2 | C10 | H11 | 108.7° | 109.7° |
| N3 | C11 | C12 | 113.9° | 109.4° |
| N3 | C11 | H14 | 108.3° | 109.5° |
| N3 | C11 | H13 | 108.3° | 109.5° |
| O1 | S1 | O2 | 119.2° | 123.2° |
| C11 | C12 | O4 | 123.9° | 120.0° |
| C11 | C12 | N4 | 115.5° | 120.0° |
| C12 | C11 | H14 | 108.3° | 109.5° |
| C12 | C11 | H13 | 108.4° | 109.5° |
| O4 | C12 | N4 | 120.5° | 120.0° |
| C12 | N4 | C13 | 121.5° | 120.0° |
| C12 | N4 | H15 | 119.3° | 120.1° |
| N4 | C13 | C14 | 111.0° | 109.5° |
| N4 | C13 | C15 | 109.8° | 109.5° |
| N4 | C13 | H16 | 109.7° | 109.5° |
| C13 | N4 | H15 | 119.2° | 119.9° |
| C14 | C13 | C15 | 108.8° | 109.4° |
| C13 | C14 | N5 | 121.4° | 118.4° |
| C13 | C14 | N6 | 115.3° | 118.3° |
| C14 | C13 | H16 | 109.1° | 109.4° |
| C13 | C15 | C16 | 110.0° | 109.4° |
| C15 | C13 | H16 | 108.6° | 109.5° |
| C13 | C15 | H18 | 109.3° | 109.4° |
| C13 | C15 | H17 | 109.3° | 109.5° |
| C15 | C16 | C17 | 118.2° | 120.0° |
| C15 | C16 | C21 | 120.8° | 120.0° |
| C16 | C15 | H18 | 109.3° | 109.5° |
| C16 | C15 | H17 | 109.3° | 109.5° |
| C16 | C17 | C18 | 117.6° | 120.0° |
| C17 | C16 | C21 | 121.0° | 120.1° |
| C16 | C17 | H19 | 121.2° | 120.0° |
| C17 | C18 | C19 | 123.6° | 120.0° |
| C17 | C18 | F1 | 118.1° | 120.1° |
| C18 | C17 | H19 | 121.2° | 119.9° |
| C18 | C19 | C20 | 116.9° | 119.9° |
| C19 | C18 | F1 | 118.3° | 120.0° |
| C18 | C19 | H20 | 121.5° | 120.0° |
| C19 | C20 | C21 | 122.3° | 120.0° |
| C19 | C20 | F2 | 118.6° | 120.0° |
| C20 | C19 | H20 | 121.5° | 120.1° |
| C20 | C21 | C16 | 118.6° | 120.0° |
| C21 | C20 | F2 | 119.1° | 120.0° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C16 | C21 | H21 | 120.7° | 120.0° |
| C14 | N5 | C22 | 122.4° | 120.6° |
| N5 | C14 | N6 | 123.3° | 123.3° |
| C14 | N5 | C29 | 121.4° | 119.7° |
| N5 | C22 | C23 | 114.5° | 117.4° |
| N5 | C22 | O5 | 119.2° | 121.3° |
| C22 | N5 | C29 | 116.1° | 119.7° |
| C22 | C23 | C24 | 119.8° | 118.0° |
| C22 | C23 | C25 | 120.3° | 121.9° |
| C23 | C22 | O5 | 126.3° | 121.3° |
| C23 | C24 | N6 | 122.0° | 119.1° |
| C24 | C23 | C25 | 119.8° | 120.1° |
| C23 | C24 | C28 | 119.9° | 119.3° |
| C24 | N6 | C14 | 118.0° | 121.6° |
| N6 | C24 | C28 | 118.1° | 121.6° |
| C23 | C25 | C26 | 119.5° | 119.5° |
| C23 | C25 | H22 | 120.2° | 120.3° |
| C25 | C26 | C27 | 120.5° | 120.6° |
| C25 | C26 | H23 | 119.7° | 119.7° |
| C26 | C25 | H22 | 120.2° | 120.2° |
| C26 | C27 | C28 | 120.5° | 120.8° |
| C27 | C26 | H23 | 119.8° | 119.7° |
| C26 | C27 | H24 | 119.8° | 119.6° |
| C27 | C28 | C24 | 119.7° | 119.7° |
| C27 | C28 | H25 | 120.1° | 120.1° |
| C28 | C27 | H24 | 119.8° | 119.6° |
| C24 | C28 | H25 | 120.1° | 120.2° |
| N5 | C29 | C30 | 117.7° | 120.0° |
| N5 | C29 | C34 | 121.3° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | C34 | 121.0° | 120.0° |
| C29 | C30 | H26 | 120.1° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H26 | 120.1° | 120.0° |
| C30 | C31 | H27 | 120.1° | 120.0° |
| C31 | C32 | C33 | 120.2° | 120.0° |
| C31 | C32 | O6 | 116.6° | 120.0° |
| C32 | C31 | H27 | 120.1° | 120.0° |
| C32 | C33 | C34 | 119.7° | 120.0° |
| C33 | C32 | O6 | 123.2° | 120.0° |
| C32 | C33 | H28 | 120.1° | 120.0° |
| C33 | C34 | C29 | 119.5° | 120.0° |
| C34 | C33 | H28 | 120.2° | 120.0° |
| C33 | C34 | H29 | 120.2° | 120.0° |
| C29 | C34 | H29 | 120.2° | 120.0° |
| C32 | O6 | C35 | 118.4° | 117.0° |
| O6 | C35 | H31 | 109.5° | 109.5° |
| O6 | C35 | H30 | 109.5° | 109.4° |
| O6 | C35 | H32 | 109.5° | 109.4° |
| H6 | N1 | H5 | 109.5° | 120.0° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.7° |
| H18 | C15 | H17 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.2° |
| H14 | C11 | H13 | 109.5° | 109.5° |
| H31 | C35 | H30 | 109.4° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.4° |
| H30 | C35 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N1 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 0.8° | 0.5° |
| C2 | C1 | C6 | C5 | 1.3° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | N1 | H6 | 180.0° | 0.0° |
| C1 | C2 | N1 | H5 | 60.0° | 179.8° |
| C2 | C1 | C6 | H4 | 178.7° | 180.0° |
| C1 | C2 | C3 | H2 | 179.2° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.7° | 0.5° |
| C3 | C2 | C1 | C6 | 1.1° | 0.2° |
| C3 | C2 | N1 | H6 | 0.5° | 179.8° |
| C3 | C2 | N1 | H5 | 119.6° | 0.0° |
| C2 | C3 | C4 | H3 | 179.3° | 179.7° |
| C3 | C2 | C1 | H1 | 178.9° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C4 | C3 | C2 | N1 | 179.7° | 179.7° |
| C3 | C4 | C5 | S1 | 179.0° | 179.7° |
| C4 | C5 | C6 | S1 | 178.1° | 180.0° |
| C4 | C5 | C6 | C1 | 1.2° | 0.1° |
| C4 | C5 | S1 | N2 | 82.0° | 90.0° |
| C4 | C5 | S1 | O1 | 162.3° | 156.5° |
| C4 | C5 | S1 | O2 | 32.9° | 23.6° |
| C4 | C5 | C6 | H4 | 178.8° | 180.0° |
| C5 | C4 | C3 | H2 | 179.3° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C6 | C5 | S1 | N2 | 99.9° | 90.0° |
| C6 | C5 | S1 | O1 | 15.8° | 23.5° |
| C6 | C5 | S1 | O2 | 145.2° | 156.4° |
| C6 | C5 | C4 | H3 | 179.1° | 180.0° |
| C5 | C6 | C1 | H1 | 178.7° | 179.7° |
| C6 | C1 | C2 | N1 | 179.4° | 180.0° |
| C1 | C6 | C5 | S1 | 179.3° | 180.0° |
| C2 | N1 | H6 | H5 | 120.0° | 179.8° |
| N1 | C2 | C1 | H1 | 0.7° | 0.3° |
| N1 | C2 | C3 | H2 | 0.3° | 0.3° |
| C5 | S1 | N2 | O1 | 115.8° | 113.5° |
| C5 | S1 | N2 | O2 | 116.0° | 113.5° |
| C5 | S1 | N2 | C7 | 126.0° | 90.0° |
| C5 | S1 | N2 | C10 | 82.6° | 90.2° |
| C5 | S1 | O1 | O2 | 122.6° | 122.9° |
| S1 | C5 | C4 | H3 | 1.0° | 0.0° |
| S1 | C5 | C6 | H4 | 0.7° | 0.0° |
| S1 | N2 | C7 | C10 | 151.9° | 179.8° |
| S1 | N2 | C7 | C8 | 170.2° | 137.3° |
| S1 | N2 | C10 | C9 | 132.0° | 118.4° |
| N2 | S1 | O1 | O2 | 120.1° | 122.9° |
| S1 | N2 | C7 | H7 | 68.5° | 102.9° |
| S1 | N2 | C7 | H8 | 49.0° | 17.4° |
| S1 | N2 | C10 | H12 | 107.6° | 121.7° |
| S1 | N2 | C10 | H11 | 11.5° | 1.0° |
| N2 | C7 | C8 | H7 | 121.3° | 119.8° |
| N2 | C7 | C8 | H8 | 121.3° | 119.9° |
| N2 | C7 | C8 | N3 | 25.5° | 12.7° |
| C7 | N2 | C10 | C9 | 19.8° | 61.8° |
| C7 | N2 | S1 | O1 | 118.2° | 23.6° |
| C7 | N2 | S1 | O2 | 10.0° | 156.5° |
| N2 | C7 | C8 | O3 | 156.5° | 167.3° |
| N2 | C7 | H7 | H8 | 115.9° | 120.3° |
| C7 | N2 | C10 | H12 | 100.7° | 58.2° |
| C7 | N2 | C10 | H11 | 140.2° | 178.8° |
| C7 | C8 | N3 | O3 | 177.9° | 180.0° |
| C7 | C8 | N3 | C9 | 8.2° | 4.3° |
| C8 | C7 | N2 | C10 | 18.3° | 42.9° |
| C7 | C8 | N3 | C11 | 175.3° | 175.9° |
| C8 | C7 | H7 | H8 | 115.9° | 120.3° |
| C8 | N3 | C9 | C11 | 176.8° | 179.7° |
| C8 | N3 | C9 | C10 | 46.6° | 22.2° |
| C8 | N3 | C11 | C12 | 75.8° | 89.7° |
| N3 | C8 | C7 | H7 | 146.8° | 107.1° |
| N3 | C8 | C7 | H8 | 95.8° | 132.6° |
| C8 | N3 | C9 | H9 | 166.8° | 98.2° |
| C8 | N3 | C9 | H10 | 73.6° | 142.4° |
| C8 | N3 | C11 | H14 | 44.8° | 30.3° |
| C8 | N3 | C11 | H13 | 163.5° | 150.3° |
| N3 | C9 | C10 | H9 | 120.2° | 120.4° |
| N3 | C9 | C10 | H10 | 120.2° | 120.3° |
| N3 | C9 | C10 | N2 | 50.4° | 47.1° |
| C9 | N3 | C11 | C12 | 107.4° | 90.0° |
| C9 | N3 | C8 | O3 | 169.7° | 175.7° |
| N3 | C9 | C10 | H12 | 70.0° | 72.7° |
| N3 | C9 | C10 | H11 | 170.9° | 166.5° |
| N3 | C9 | H9 | H10 | 119.3° | 119.4° |
| C9 | N3 | C11 | H14 | 131.9° | 150.0° |
| C9 | N3 | C11 | H13 | 13.2° | 30.0° |
| C9 | C10 | N2 | H12 | 120.5° | 120.0° |
| C9 | C10 | N2 | H11 | 120.5° | 119.3° |
| C10 | C9 | N3 | C11 | 136.7° | 158.1° |
| C9 | C10 | H12 | H11 | 118.6° | 120.6° |
| C10 | C9 | H9 | H10 | 119.3° | 119.3° |
| C10 | N2 | S1 | O1 | 33.3° | 156.3° |
| C10 | N2 | S1 | O2 | 161.4° | 23.3° |
| C10 | N2 | C7 | H7 | 139.6° | 77.0° |
| C10 | N2 | C7 | H8 | 102.9° | 162.8° |
| N2 | C10 | H12 | H11 | 118.6° | 120.7° |
| N2 | C10 | C9 | H9 | 170.6° | 73.3° |
| N2 | C10 | C9 | H10 | 69.8° | 167.4° |
| N3 | C11 | C12 | H14 | 120.6° | 120.0° |
| N3 | C11 | C12 | H13 | 120.7° | 120.0° |
| C11 | N3 | C8 | O3 | 6.8° | 4.0° |
| N3 | C11 | C12 | O4 | 57.3° | 0.0° |
| N3 | C11 | C12 | N4 | 122.6° | 180.0° |
| C11 | N3 | C9 | H9 | 16.4° | 81.6° |
| C11 | N3 | C9 | H10 | 103.1° | 37.8° |
| N3 | C11 | H14 | H13 | 117.9° | 120.0° |
| C11 | C12 | O4 | N4 | 180.0° | 180.0° |
| C11 | C12 | N4 | C13 | 172.7° | 180.0° |
| C12 | C11 | H14 | H13 | 118.0° | 120.0° |
| C11 | C12 | N4 | H15 | 7.3° | 0.1° |
| O3 | C8 | C7 | H7 | 35.2° | 72.9° |
| O3 | C8 | C7 | H8 | 82.3° | 47.4° |
| O4 | C12 | N4 | C13 | 7.3° | 0.0° |
| O4 | C12 | C11 | H14 | 178.0° | 120.0° |
| O4 | C12 | C11 | H13 | 63.3° | 120.0° |
| O4 | C12 | N4 | H15 | 172.7° | 180.0° |
| C12 | N4 | C13 | H15 | 180.0° | 179.9° |
| C12 | N4 | C13 | C14 | 67.2° | 155.0° |
| C12 | N4 | C13 | C15 | 172.6° | 85.0° |
| C12 | N4 | C13 | H16 | 53.4° | 35.0° |
| N4 | C12 | C11 | H14 | 2.0° | 60.0° |
| N4 | C12 | C11 | H13 | 116.7° | 60.0° |
| N4 | C13 | C14 | C15 | 120.8° | 120.0° |
| N4 | C13 | C14 | H16 | 120.9° | 120.0° |
| N4 | C13 | C15 | H16 | 119.9° | 120.0° |
| N4 | C13 | C15 | C16 | 74.6° | 65.0° |
| N4 | C13 | C14 | N5 | 142.8° | 144.6° |
| N4 | C13 | C14 | N6 | 39.1° | 35.8° |
| N4 | C13 | C15 | H18 | 45.4° | 55.0° |
| N4 | C13 | C15 | H17 | 165.3° | 175.0° |
| C14 | C13 | C15 | H16 | 118.5° | 119.9° |
| C14 | C13 | C15 | C16 | 163.8° | 175.0° |
| C13 | C14 | N5 | N6 | 178.0° | 179.5° |
| C13 | C14 | N5 | C22 | 178.0° | 180.0° |
| C13 | C14 | N6 | C24 | 178.5° | 179.6° |
| C13 | C14 | N5 | C29 | 2.1° | 0.0° |
| C14 | C13 | C15 | H18 | 76.1° | 65.0° |
| C14 | C13 | C15 | H17 | 43.7° | 54.9° |
| C14 | C13 | N4 | H15 | 112.8° | 24.9° |
| C13 | C15 | C16 | H18 | 120.1° | 120.0° |
| C13 | C15 | C16 | H17 | 120.1° | 120.1° |
| C13 | C15 | C16 | C17 | 87.8° | 90.0° |
| C13 | C15 | C16 | C21 | 90.2° | 90.1° |
| C15 | C13 | C14 | N5 | 96.4° | 95.3° |
| C15 | C13 | C14 | N6 | 81.8° | 84.2° |
| C13 | C15 | H18 | H17 | 119.8° | 120.0° |
| C15 | C13 | N4 | H15 | 7.4° | 95.0° |
| C15 | C16 | C17 | C21 | 178.0° | 179.9° |
| C15 | C16 | C17 | C18 | 178.4° | 180.0° |
| C15 | C16 | C21 | C20 | 177.1° | 179.5° |
| C16 | C15 | C13 | H16 | 45.2° | 55.0° |
| C16 | C15 | H18 | H17 | 119.8° | 120.0° |
| C15 | C16 | C17 | H19 | 1.6° | 0.3° |
| C15 | C16 | C21 | H21 | 2.9° | 0.6° |
| C16 | C17 | C18 | H19 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 1.4° | 0.3° |
| C17 | C16 | C21 | C20 | 0.8° | 0.4° |
| C16 | C17 | C18 | F1 | 178.7° | 179.7° |
| C17 | C16 | C15 | H18 | 152.1° | 30.0° |
| C17 | C16 | C15 | H17 | 32.2° | 149.9° |
| C17 | C16 | C21 | H21 | 179.2° | 179.5° |
| C17 | C18 | C19 | F1 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.0° |
| C18 | C17 | C16 | C21 | 0.4° | 0.1° |
| C17 | C18 | C19 | H20 | 179.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.4° |
| C18 | C19 | C20 | F2 | 179.7° | 179.8° |
| C19 | C18 | C17 | H19 | 178.6° | 180.0° |
| C19 | C20 | C21 | F2 | 180.0° | 179.4° |
| C19 | C20 | C21 | C16 | 1.2° | 0.6° |
| C20 | C19 | C18 | F1 | 179.0° | 179.9° |
| C19 | C20 | C21 | H21 | 178.8° | 179.2° |
| C20 | C21 | C16 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | H20 | 179.7° | 179.5° |
| C16 | C21 | C20 | F2 | 178.8° | 180.0° |
| C21 | C16 | C15 | H18 | 29.9° | 149.9° |
| C21 | C16 | C15 | H17 | 149.8° | 30.0° |
| C21 | C16 | C17 | H19 | 179.6° | 179.8° |
| F1 | C18 | C17 | H19 | 1.4° | 0.0° |
| F1 | C18 | C19 | H20 | 1.0° | 0.0° |
| F2 | C20 | C21 | H21 | 1.2° | 0.2° |
| F2 | C20 | C19 | H20 | 0.3° | 0.1° |
| C14 | N5 | C22 | C29 | 176.1° | 180.0° |
| C14 | N5 | C22 | C23 | 1.6° | 0.0° |
| N5 | C14 | N6 | C24 | 0.4° | 0.9° |
| C14 | N5 | C22 | O5 | 179.4° | 179.8° |
| C14 | N5 | C29 | C30 | 97.1° | 88.6° |
| C14 | N5 | C29 | C34 | 83.3° | 91.0° |
| N5 | C14 | C13 | H16 | 21.9° | 24.6° |
| N5 | C22 | C23 | O5 | 178.9° | 179.8° |
| N5 | C22 | C23 | C24 | 3.0° | 0.2° |
| C22 | N5 | C14 | N6 | 0.1° | 0.5° |
| N5 | C22 | C23 | C25 | 179.6° | 179.7° |
| C22 | N5 | C29 | C30 | 79.1° | 91.4° |
| C22 | N5 | C29 | C34 | 100.5° | 89.0° |
| C22 | C23 | C24 | C25 | 177.4° | 179.9° |
| C22 | C23 | C24 | N6 | 3.0° | 0.1° |
| C22 | C23 | C25 | C26 | 178.5° | 180.0° |
| C22 | C23 | C24 | C28 | 178.3° | 179.5° |
| C23 | C22 | N5 | C29 | 177.8° | 180.0° |
| C22 | C23 | C25 | H22 | 1.5° | 0.1° |
| C23 | C24 | N6 | C28 | 178.8° | 179.3° |
| C23 | C24 | N6 | C14 | 1.2° | 0.6° |
| C24 | C23 | C25 | C26 | 1.1° | 0.1° |
| C23 | C24 | C28 | C27 | 0.1° | 1.2° |
| C24 | C23 | C22 | O5 | 178.1° | 180.0° |
| C23 | C24 | C28 | H25 | 179.9° | 179.3° |
| C24 | C23 | C25 | H22 | 178.9° | 180.0° |
| N6 | C24 | C23 | C25 | 179.7° | 180.0° |
| N6 | C24 | C28 | C27 | 178.6° | 179.4° |
| N6 | C24 | C28 | H25 | 1.3° | 0.0° |
| C14 | N6 | C24 | C28 | 179.9° | 180.0° |
| N6 | C14 | N5 | C29 | 175.9° | 179.5° |
| N6 | C14 | C13 | H16 | 160.0° | 155.9° |
| C23 | C25 | C26 | H22 | 180.0° | 179.9° |
| C23 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C23 | C24 | C28 | 0.9° | 0.7° |
| C25 | C23 | C22 | O5 | 0.7° | 0.1° |
| C23 | C25 | C26 | H23 | 179.8° | 179.4° |
| C25 | C26 | C27 | H23 | 180.0° | 179.4° |
| C25 | C26 | C27 | C28 | 0.9° | 0.7° |
| C25 | C26 | C27 | H24 | 179.1° | 179.4° |
| C26 | C27 | C28 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | C24 | 1.0° | 1.3° |
| C26 | C27 | C28 | H25 | 179.0° | 179.3° |
| C27 | C26 | C25 | H22 | 179.8° | 180.0° |
| C27 | C28 | C24 | H25 | 180.0° | 179.4° |
| C28 | C27 | C26 | H23 | 179.1° | 180.0° |
| C24 | C28 | C27 | H24 | 179.0° | 178.8° |
| O5 | C22 | N5 | C29 | 3.2° | 0.2° |
| N5 | C29 | C30 | C34 | 179.6° | 179.6° |
| N5 | C29 | C30 | C31 | 179.9° | 180.0° |
| N5 | C29 | C34 | C33 | 179.8° | 179.7° |
| N5 | C29 | C30 | H26 | 0.1° | 0.1° |
| N5 | C29 | C34 | H29 | 0.2° | 0.1° |
| C29 | C30 | C31 | H26 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.0° |
| C30 | C29 | C34 | C33 | 0.6° | 0.7° |
| C29 | C30 | C31 | H27 | 179.5° | 180.0° |
| C30 | C29 | C34 | H29 | 179.4° | 179.7° |
| C30 | C31 | C32 | H27 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.6° | 0.0° |
| C31 | C30 | C29 | C34 | 0.5° | 0.3° |
| C30 | C31 | C32 | O6 | 179.1° | 179.9° |
| C31 | C32 | C33 | O6 | 179.7° | 179.9° |
| C31 | C32 | C33 | C34 | 0.6° | 0.3° |
| C31 | C32 | O6 | C35 | 162.3° | 180.0° |
| C32 | C31 | C30 | H26 | 179.5° | 180.0° |
| C31 | C32 | C33 | H28 | 179.3° | 180.0° |
| C32 | C33 | C34 | H28 | 180.0° | 179.7° |
| C32 | C33 | C34 | C29 | 0.6° | 0.7° |
| C33 | C32 | O6 | C35 | 18.0° | 0.1° |
| C33 | C32 | C31 | H27 | 179.4° | 180.0° |
| C32 | C33 | C34 | H29 | 179.4° | 179.7° |
| C33 | C34 | C29 | H29 | 180.0° | 179.6° |
| C34 | C33 | C32 | O6 | 179.0° | 179.7° |
| C34 | C29 | C30 | H26 | 179.5° | 179.7° |
| C29 | C34 | C33 | H28 | 179.3° | 179.7° |
| O6 | C32 | C31 | H27 | 0.9° | 0.1° |
| O6 | C32 | C33 | H28 | 1.0° | 0.1° |
| C32 | O6 | C35 | H31 | 180.0° | 60.0° |
| C32 | O6 | C35 | H30 | 60.0° | 60.0° |
| C32 | O6 | C35 | H32 | 60.0° | 180.0° |
| O6 | C35 | H31 | H30 | 120.0° | 120.0° |
| O6 | C35 | H31 | H32 | 120.0° | 120.0° |
| O6 | C35 | H30 | H32 | 120.0° | 120.0° |
| H3 | C4 | C3 | H2 | 0.7° | 0.2° |
| H4 | C6 | C1 | H1 | 1.3° | 0.3° |
| H12 | C10 | C9 | H9 | 50.2° | 166.9° |
| H12 | C10 | C9 | H10 | 169.7° | 47.6° |
| H11 | C10 | C9 | H9 | 68.9° | 46.2° |
| H11 | C10 | C9 | H10 | 50.6° | 73.2° |
| H16 | C13 | C15 | H18 | 165.3° | 175.0° |
| H16 | C13 | C15 | H17 | 74.8° | 65.0° |
| H16 | C13 | N4 | H15 | 126.6° | 144.9° |
| H23 | C26 | C25 | H22 | 0.2° | 0.7° |
| H23 | C26 | C27 | H24 | 0.9° | 0.0° |
| H25 | C28 | C27 | H24 | 1.0° | 0.6° |
| H26 | C30 | C31 | H27 | 0.5° | 0.0° |
| H28 | C33 | C34 | H29 | 0.7° | 0.1° |
| H31 | C35 | H30 | H32 | 120.0° | 120.0° |
