TW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C31 | sing | 1.74Å | 1.80Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.50Å | |
| C25 | N6 | sing | 1.47Å | 1.47Å | |
| O2 | C17 | doub | 1.22Å | 1.23Å | |
| C28 | N6 | sing | 1.40Å | 1.40Å | |
| C28 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N5 | sing | 1.47Å | 1.46Å | |
| N6 | C26 | sing | 1.47Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.51Å | |
| C17 | N4 | sing | 1.35Å | 1.33Å | |
| C18 | C19 | doub | 1.40Å | 1.48Å | Aromatic |
| C21 | N5 | sing | 1.39Å | 1.41Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| N5 | C27 | sing | 1.47Å | 1.44Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| N2 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.37Å | |
| C2 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | F1 | sing | 1.35Å | 1.34Å | |
| N4 | C7 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C16 | C9 | doub | 1.34Å | 1.40Å | Aromatic |
| C16 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| N3 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C15 | doub | 1.41Å | 1.47Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C31 | C30 | 119.1° | 119.9° |
| CL1 | C31 | C32 | 121.2° | 120.0° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C30 | C29 | C28 | 120.7° | 120.0° |
| C30 | C29 | H27 | 119.7° | 120.0° |
| C29 | C30 | H28 | 119.9° | 120.0° |
| C30 | C31 | C32 | 119.7° | 120.1° |
| C31 | C30 | H28 | 119.8° | 120.0° |
| C29 | C28 | N6 | 118.7° | 120.1° |
| C29 | C28 | C33 | 118.6° | 119.9° |
| C28 | C29 | H27 | 119.6° | 120.0° |
| C31 | C32 | C33 | 120.3° | 120.1° |
| C31 | C32 | H29 | 119.9° | 120.0° |
| C24 | C25 | N6 | 113.2° | 109.4° |
| C25 | C24 | N5 | 110.5° | 109.3° |
| C25 | C24 | H19 | 109.2° | 109.5° |
| C25 | C24 | H20 | 109.2° | 109.5° |
| C24 | C25 | H21 | 108.5° | 109.5° |
| C24 | C25 | H22 | 108.5° | 109.5° |
| C25 | N6 | C28 | 116.2° | 111.0° |
| C25 | N6 | C26 | 123.5° | 110.9° |
| N6 | C25 | H21 | 108.5° | 109.5° |
| N6 | C25 | H22 | 108.5° | 109.5° |
| O2 | C17 | C18 | 120.0° | 120.1° |
| O2 | C17 | N4 | 121.7° | 120.0° |
| N6 | C28 | C33 | 122.2° | 120.0° |
| C28 | N6 | C26 | 119.3° | 111.0° |
| C28 | C33 | C32 | 120.4° | 119.9° |
| C28 | C33 | H30 | 119.8° | 120.1° |
| C22 | C23 | C18 | 120.8° | 120.0° |
| C23 | C22 | C21 | 121.5° | 120.3° |
| C23 | C22 | H17 | 119.3° | 119.8° |
| C22 | C23 | H18 | 119.6° | 120.0° |
| C23 | C18 | C17 | 121.9° | 120.1° |
| C23 | C18 | C19 | 117.0° | 119.8° |
| C18 | C23 | H18 | 119.6° | 120.0° |
| C33 | C32 | H29 | 119.9° | 119.9° |
| C32 | C33 | H30 | 119.8° | 120.0° |
| C22 | C21 | N5 | 120.8° | 119.9° |
| C22 | C21 | C20 | 119.4° | 120.2° |
| C21 | C22 | H17 | 119.3° | 119.9° |
| C24 | N5 | C21 | 118.9° | 111.0° |
| C24 | N5 | C27 | 117.8° | 110.9° |
| N5 | C24 | H19 | 109.2° | 109.5° |
| N5 | C24 | H20 | 109.2° | 109.5° |
| N6 | C26 | C27 | 113.7° | 109.4° |
| N6 | C26 | H23 | 108.4° | 109.5° |
| N6 | C26 | H24 | 108.4° | 109.5° |
| O1 | C1 | N1 | 127.2° | 120.0° |
| O1 | C1 | C7 | 119.5° | 120.0° |
| C3 | C4 | N2 | 121.1° | 120.8° |
| C4 | C3 | C2 | 120.3° | 119.1° |
| C4 | C3 | H2 | 119.8° | 120.4° |
| C3 | C4 | H3 | 119.5° | 119.6° |
| C4 | N2 | C5 | 118.5° | 121.9° |
| N2 | C4 | H3 | 119.4° | 119.6° |
| C3 | C2 | N1 | 127.4° | 120.9° |
| C3 | C2 | C6 | 116.9° | 118.3° |
| C2 | C3 | H2 | 119.9° | 120.5° |
| C18 | C17 | N4 | 118.3° | 120.0° |
| C17 | C18 | C19 | 121.1° | 120.1° |
| C17 | N4 | C7 | 124.1° | 120.0° |
| C17 | N4 | H15 | 117.9° | 120.0° |
| C18 | C19 | C20 | 120.3° | 119.7° |
| C18 | C19 | F1 | 121.1° | 120.1° |
| N5 | C21 | C20 | 119.6° | 119.9° |
| C21 | N5 | C27 | 122.6° | 111.0° |
| C21 | C20 | C19 | 121.0° | 119.9° |
| C21 | C20 | H16 | 119.5° | 120.1° |
| N5 | C27 | C26 | 110.3° | 109.4° |
| N5 | C27 | H25 | 109.3° | 109.5° |
| N5 | C27 | H26 | 109.3° | 109.5° |
| N1 | C1 | C7 | 113.2° | 120.0° |
| C1 | N1 | C2 | 125.6° | 120.0° |
| C1 | N1 | H1 | 117.2° | 120.0° |
| C1 | C7 | N4 | 116.1° | 109.5° |
| C1 | C7 | C8 | 114.4° | 109.5° |
| C1 | C7 | H6 | 106.2° | 109.4° |
| C27 | C26 | H23 | 108.4° | 109.5° |
| C27 | C26 | H24 | 108.4° | 109.5° |
| C26 | C27 | H25 | 109.2° | 109.6° |
| C26 | C27 | H26 | 109.2° | 109.5° |
| N2 | C5 | C6 | 122.3° | 120.8° |
| N2 | C5 | H4 | 118.9° | 119.6° |
| N1 | C2 | C6 | 115.4° | 120.9° |
| C2 | N1 | H1 | 117.2° | 120.0° |
| C2 | C6 | C5 | 121.0° | 119.1° |
| C2 | C6 | H5 | 119.5° | 120.5° |
| C20 | C19 | F1 | 118.6° | 120.1° |
| C19 | C20 | H16 | 119.5° | 120.0° |
| N4 | C7 | C8 | 106.2° | 109.5° |
| N4 | C7 | H6 | 107.2° | 109.5° |
| C7 | N4 | H15 | 117.9° | 120.0° |
| C7 | C8 | C9 | 112.3° | 109.4° |
| C8 | C7 | H6 | 106.2° | 109.5° |
| C7 | C8 | H7 | 108.8° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.5° |
| C6 | C5 | H4 | 118.9° | 119.6° |
| C5 | C6 | H5 | 119.5° | 120.4° |
| C8 | C9 | C16 | 129.6° | 126.5° |
| C8 | C9 | C10 | 125.3° | 126.5° |
| C9 | C8 | H7 | 108.8° | 109.5° |
| C9 | C8 | H8 | 108.8° | 109.5° |
| C9 | C16 | N3 | 111.1° | 109.9° |
| C16 | C9 | C10 | 105.1° | 107.0° |
| C9 | C16 | H14 | 124.4° | 125.0° |
| C16 | N3 | C15 | 110.0° | 109.9° |
| C16 | N3 | H13 | 125.0° | 125.1° |
| N3 | C16 | H14 | 124.4° | 125.1° |
| C9 | C10 | C15 | 106.1° | 106.0° |
| C9 | C10 | C11 | 131.5° | 134.0° |
| N3 | C15 | C10 | 107.6° | 107.2° |
| N3 | C15 | C14 | 134.7° | 133.5° |
| C15 | N3 | H13 | 125.0° | 125.1° |
| C15 | C10 | C11 | 122.3° | 119.9° |
| C10 | C15 | C14 | 117.7° | 119.3° |
| C10 | C11 | C12 | 118.0° | 119.8° |
| C10 | C11 | H9 | 121.0° | 120.1° |
| C15 | C14 | C13 | 119.0° | 119.8° |
| C15 | C14 | H12 | 120.5° | 120.1° |
| C11 | C12 | C13 | 120.9° | 120.5° |
| C12 | C11 | H9 | 121.0° | 120.1° |
| C11 | C12 | H10 | 119.6° | 119.7° |
| C14 | C13 | C12 | 122.1° | 120.7° |
| C14 | C13 | H11 | 119.0° | 119.7° |
| C13 | C14 | H12 | 120.5° | 120.1° |
| C13 | C12 | H10 | 119.6° | 119.7° |
| C12 | C13 | H11 | 118.9° | 119.6° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C31 | C30 | C29 | 177.8° | 180.0° |
| CL1 | C31 | C30 | C32 | 178.2° | 180.0° |
| CL1 | C31 | C32 | C33 | 178.7° | 179.8° |
| CL1 | C31 | C30 | H28 | 2.2° | 0.1° |
| CL1 | C31 | C32 | H29 | 1.3° | 0.0° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C30 | C29 | C28 | H27 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| C30 | C29 | C28 | N6 | 176.1° | 180.0° |
| C30 | C29 | C28 | C33 | 3.4° | 0.3° |
| C31 | C30 | C29 | C28 | 2.4° | 0.0° |
| C30 | C31 | C32 | C33 | 0.5° | 0.3° |
| C31 | C30 | C29 | H27 | 177.6° | 180.0° |
| C30 | C31 | C32 | H29 | 179.5° | 180.0° |
| C29 | C28 | N6 | C25 | 2.0° | 0.3° |
| C29 | C28 | N6 | C33 | 172.4° | 179.7° |
| C29 | C28 | C33 | C32 | 2.5° | 0.5° |
| C29 | C28 | N6 | C26 | 166.8° | 123.5° |
| C28 | C29 | C30 | H28 | 177.5° | 180.0° |
| C29 | C28 | C33 | H30 | 177.5° | 179.7° |
| C31 | C32 | C33 | C28 | 0.5° | 0.5° |
| C31 | C32 | C33 | H29 | 180.0° | 179.8° |
| C32 | C31 | C30 | H28 | 179.6° | 180.0° |
| C31 | C32 | C33 | H30 | 179.5° | 179.7° |
| C24 | C25 | N6 | H21 | 120.5° | 119.9° |
| C24 | C25 | N6 | H22 | 120.5° | 120.0° |
| C24 | C25 | N6 | C28 | 162.2° | 176.8° |
| C25 | C24 | N5 | H19 | 120.1° | 120.0° |
| C25 | C24 | N5 | H20 | 120.1° | 119.9° |
| C24 | C25 | N6 | C26 | 29.5° | 59.3° |
| C25 | C24 | N5 | C21 | 132.0° | 176.8° |
| C25 | C24 | N5 | C27 | 57.0° | 59.4° |
| C25 | C24 | H19 | H20 | 119.5° | 120.1° |
| C24 | C25 | H21 | H22 | 118.3° | 120.1° |
| C25 | N6 | C28 | C26 | 168.8° | 123.8° |
| C25 | N6 | C28 | C33 | 174.4° | 180.0° |
| N6 | C25 | C24 | N5 | 39.8° | 58.4° |
| C25 | N6 | C26 | C27 | 28.1° | 59.3° |
| N6 | C25 | C24 | H19 | 159.9° | 61.6° |
| N6 | C25 | C24 | H20 | 80.4° | 178.4° |
| N6 | C25 | H21 | H22 | 118.3° | 120.0° |
| C25 | N6 | C26 | H23 | 148.7° | 179.3° |
| C25 | N6 | C26 | H24 | 92.6° | 60.7° |
| O2 | C17 | C18 | C23 | 25.1° | 179.7° |
| O2 | C17 | C18 | N4 | 179.3° | 180.0° |
| O2 | C17 | C18 | C19 | 154.4° | 0.0° |
| O2 | C17 | N4 | C7 | 4.9° | 0.0° |
| O2 | C17 | N4 | H15 | 175.1° | 180.0° |
| N6 | C28 | C33 | C32 | 174.9° | 179.8° |
| C28 | N6 | C26 | C27 | 164.0° | 176.8° |
| C28 | N6 | C25 | H21 | 41.7° | 56.9° |
| C28 | N6 | C25 | H22 | 77.3° | 63.2° |
| C28 | N6 | C26 | H23 | 43.4° | 56.8° |
| C28 | N6 | C26 | H24 | 75.4° | 63.2° |
| N6 | C28 | C29 | H27 | 3.9° | 0.1° |
| N6 | C28 | C33 | H30 | 5.1° | 0.0° |
| C28 | C33 | C32 | H30 | 180.0° | 179.8° |
| C33 | C28 | N6 | C26 | 5.6° | 56.2° |
| C33 | C28 | C29 | H27 | 176.6° | 179.8° |
| C28 | C33 | C32 | H29 | 179.4° | 179.7° |
| C22 | C23 | C18 | H18 | 180.0° | 179.4° |
| C23 | C22 | C21 | H17 | 180.0° | 179.6° |
| C22 | C23 | C18 | C17 | 180.0° | 179.7° |
| C22 | C23 | C18 | C19 | 0.5° | 0.6° |
| C23 | C22 | C21 | N5 | 177.8° | 179.7° |
| C23 | C22 | C21 | C20 | 2.6° | 0.4° |
| C18 | C23 | C22 | C21 | 1.6° | 0.6° |
| C23 | C18 | C17 | C19 | 179.4° | 179.8° |
| C23 | C18 | C17 | N4 | 155.6° | 0.2° |
| C23 | C18 | C19 | C20 | 0.6° | 0.3° |
| C23 | C18 | C19 | F1 | 179.9° | 179.7° |
| C18 | C23 | C22 | H17 | 178.4° | 179.7° |
| C22 | C21 | N5 | C24 | 13.3° | 123.7° |
| C22 | C21 | N5 | C20 | 175.2° | 179.9° |
| C22 | C21 | N5 | C27 | 176.2° | 0.0° |
| C22 | C21 | C20 | C19 | 2.6° | 0.1° |
| C22 | C21 | C20 | H16 | 177.4° | 180.0° |
| C21 | C22 | C23 | H18 | 178.4° | 180.0° |
| C24 | N5 | C21 | C27 | 170.5° | 123.8° |
| C24 | N5 | C21 | C20 | 161.9° | 56.2° |
| C24 | N5 | C27 | C26 | 55.2° | 59.3° |
| N5 | C24 | H19 | H20 | 119.5° | 120.0° |
| N5 | C24 | C25 | H21 | 160.3° | 178.4° |
| N5 | C24 | C25 | H22 | 80.8° | 61.5° |
| C24 | N5 | C27 | H25 | 175.4° | 179.4° |
| C24 | N5 | C27 | H26 | 64.9° | 60.6° |
| N6 | C26 | C27 | N5 | 37.4° | 58.4° |
| N6 | C26 | C27 | H23 | 120.6° | 120.0° |
| N6 | C26 | C27 | H24 | 120.6° | 120.0° |
| C26 | N6 | C25 | H21 | 150.1° | 179.3° |
| C26 | N6 | C25 | H22 | 91.0° | 60.7° |
| N6 | C26 | H23 | H24 | 118.1° | 120.0° |
| N6 | C26 | C27 | H25 | 157.6° | 178.4° |
| N6 | C26 | C27 | H26 | 82.7° | 61.5° |
| O1 | C1 | N1 | C7 | 175.9° | 179.7° |
| O1 | C1 | N1 | C2 | 13.5° | 4.7° |
| O1 | C1 | C7 | N4 | 123.6° | 0.0° |
| O1 | C1 | C7 | C8 | 112.2° | 120.0° |
| O1 | C1 | N1 | H1 | 166.5° | 175.3° |
| O1 | C1 | C7 | H6 | 4.6° | 120.0° |
| C3 | C4 | N2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | N2 | C5 | 0.8° | 0.0° |
| C4 | C3 | C2 | N1 | 176.0° | 180.0° |
| C4 | C3 | C2 | C6 | 2.4° | 0.3° |
| N2 | C4 | C3 | C2 | 1.4° | 0.0° |
| C4 | N2 | C5 | C6 | 1.3° | 0.4° |
| N2 | C4 | C3 | H2 | 178.6° | 180.0° |
| C4 | N2 | C5 | H4 | 178.7° | 180.0° |
| C3 | C2 | N1 | C1 | 21.6° | 35.2° |
| C3 | C2 | N1 | C6 | 173.6° | 179.7° |
| C3 | C2 | C6 | C5 | 2.9° | 0.6° |
| C3 | C2 | N1 | H1 | 158.4° | 144.8° |
| C2 | C3 | C4 | H3 | 178.6° | 180.0° |
| C3 | C2 | C6 | H5 | 177.0° | 179.7° |
| C17 | C18 | C19 | C20 | 180.0° | 180.0° |
| C17 | C18 | C19 | F1 | 0.4° | 0.1° |
| C18 | C17 | N4 | C7 | 174.4° | 180.0° |
| C18 | C17 | N4 | H15 | 5.6° | 0.1° |
| C17 | C18 | C23 | H18 | 0.0° | 0.3° |
| N4 | C17 | C18 | C19 | 25.0° | 180.0° |
| C17 | N4 | C7 | C1 | 48.8° | 85.0° |
| C17 | N4 | C7 | H15 | 180.0° | 180.0° |
| C17 | N4 | C7 | C8 | 177.2° | 155.0° |
| C17 | N4 | C7 | H6 | 69.7° | 35.0° |
| C18 | C19 | C20 | C21 | 1.6° | 0.0° |
| C18 | C19 | C20 | F1 | 179.6° | 180.0° |
| C18 | C19 | C20 | H16 | 178.4° | 180.0° |
| C19 | C18 | C23 | H18 | 179.5° | 180.0° |
| C21 | N5 | C27 | C26 | 134.2° | 176.8° |
| N5 | C21 | C20 | C19 | 177.9° | 180.0° |
| N5 | C21 | C20 | H16 | 2.1° | 0.0° |
| N5 | C21 | C22 | H17 | 2.2° | 0.0° |
| C21 | N5 | C24 | H19 | 11.9° | 63.2° |
| C21 | N5 | C24 | H20 | 107.8° | 56.9° |
| C21 | N5 | C27 | H25 | 14.1° | 56.8° |
| C21 | N5 | C27 | H26 | 105.7° | 63.2° |
| C20 | C21 | N5 | C27 | 8.6° | 180.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | F1 | 178.8° | 179.9° |
| C20 | C21 | C22 | H17 | 177.4° | 180.0° |
| N5 | C27 | C26 | H25 | 120.2° | 120.0° |
| N5 | C27 | C26 | H26 | 120.1° | 119.9° |
| C27 | N5 | C24 | H19 | 177.2° | 60.7° |
| C27 | N5 | C24 | H20 | 63.1° | 179.3° |
| N5 | C27 | C26 | H23 | 158.0° | 178.4° |
| N5 | C27 | C26 | H24 | 83.2° | 61.6° |
| N5 | C27 | H25 | H26 | 119.6° | 120.0° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C6 | 152.0° | 145.1° |
| N1 | C1 | C7 | N4 | 60.1° | 179.7° |
| N1 | C1 | C7 | C8 | 64.1° | 59.7° |
| N1 | C1 | C7 | H6 | 179.1° | 60.3° |
| C7 | C1 | N1 | C2 | 162.4° | 175.6° |
| C1 | C7 | N4 | C8 | 128.3° | 120.0° |
| C1 | C7 | N4 | H6 | 118.5° | 120.0° |
| C1 | C7 | C8 | H6 | 116.8° | 120.0° |
| C1 | C7 | C8 | C9 | 15.1° | 175.0° |
| C7 | C1 | N1 | H1 | 17.6° | 4.4° |
| C1 | C7 | C8 | H7 | 105.4° | 55.0° |
| C1 | C7 | C8 | H8 | 135.5° | 65.0° |
| C1 | C7 | N4 | H15 | 131.2° | 95.0° |
| C27 | C26 | H23 | H24 | 118.0° | 120.0° |
| C26 | C27 | H25 | H26 | 119.6° | 120.1° |
| N2 | C5 | C6 | C2 | 2.5° | 0.6° |
| N2 | C5 | C6 | H4 | 180.0° | 179.7° |
| C5 | N2 | C4 | H3 | 179.2° | 179.9° |
| N2 | C5 | C6 | H5 | 177.5° | 179.7° |
| N1 | C2 | C6 | C5 | 177.3° | 179.7° |
| N1 | C2 | C3 | H2 | 4.0° | 0.1° |
| N1 | C2 | C6 | H5 | 2.7° | 0.0° |
| C2 | C6 | C5 | H5 | 180.0° | 179.7° |
| C6 | C2 | N1 | H1 | 28.0° | 34.9° |
| C6 | C2 | C3 | H2 | 177.6° | 179.7° |
| C2 | C6 | C5 | H4 | 177.6° | 179.7° |
| F1 | C19 | C20 | H16 | 1.2° | 0.0° |
| N4 | C7 | C8 | H6 | 113.8° | 120.0° |
| N4 | C7 | C8 | C9 | 144.5° | 65.0° |
| N4 | C7 | C8 | H7 | 24.0° | 175.0° |
| N4 | C7 | C8 | H8 | 95.1° | 55.0° |
| C7 | C8 | C9 | H7 | 120.4° | 120.0° |
| C7 | C8 | C9 | H8 | 120.4° | 120.0° |
| C7 | C8 | C9 | C16 | 67.3° | 95.4° |
| C7 | C8 | C9 | C10 | 113.4° | 85.0° |
| C7 | C8 | H7 | H8 | 118.7° | 120.0° |
| C8 | C7 | N4 | H15 | 2.8° | 25.0° |
| C8 | C9 | C16 | C10 | 179.4° | 179.7° |
| C8 | C9 | C16 | N3 | 179.4° | 179.9° |
| C8 | C9 | C10 | C15 | 179.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C9 | C8 | C7 | H6 | 101.7° | 55.0° |
| C9 | C8 | H7 | H8 | 118.7° | 120.0° |
| C8 | C9 | C16 | H14 | 0.6° | 0.0° |
| C9 | C16 | N3 | H14 | 180.0° | 179.9° |
| C9 | C16 | N3 | C15 | 0.3° | 0.4° |
| C16 | C9 | C10 | C15 | 1.5° | 0.3° |
| C16 | C9 | C10 | C11 | 179.8° | 179.8° |
| C16 | C9 | C8 | H7 | 172.2° | 144.6° |
| C16 | C9 | C8 | H8 | 53.1° | 24.6° |
| C9 | C16 | N3 | H13 | 179.7° | 179.8° |
| N3 | C16 | C9 | C10 | 1.2° | 0.4° |
| C16 | N3 | C15 | H13 | 180.0° | 179.8° |
| C16 | N3 | C15 | C10 | 0.7° | 0.3° |
| C16 | N3 | C15 | C14 | 179.8° | 179.8° |
| C9 | C10 | C15 | N3 | 1.4° | 0.0° |
| C9 | C10 | C15 | C11 | 178.8° | 180.0° |
| C9 | C10 | C15 | C14 | 179.3° | 179.9° |
| C9 | C10 | C11 | C12 | 178.4° | 180.0° |
| C10 | C9 | C8 | H7 | 7.1° | 35.0° |
| C10 | C9 | C8 | H8 | 126.2° | 155.0° |
| C9 | C10 | C11 | H9 | 1.6° | 0.0° |
| C10 | C9 | C16 | H14 | 178.8° | 179.7° |
| N3 | C15 | C10 | C14 | 179.3° | 179.9° |
| N3 | C15 | C10 | C11 | 179.8° | 180.0° |
| N3 | C15 | C14 | C13 | 179.9° | 180.0° |
| N3 | C15 | C14 | H12 | 0.1° | 0.1° |
| C15 | N3 | C16 | H14 | 179.7° | 179.7° |
| C15 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C15 | C14 | C13 | 1.0° | 0.1° |
| C15 | C10 | C11 | H9 | 179.9° | 180.0° |
| C10 | C15 | C14 | H12 | 178.9° | 180.0° |
| C10 | C15 | N3 | H13 | 179.3° | 180.0° |
| C11 | C10 | C15 | C14 | 0.5° | 0.1° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H10 | 179.8° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.0° | 0.1° |
| C15 | C14 | C13 | H11 | 179.0° | 180.0° |
| C14 | C15 | N3 | H13 | 0.2° | 0.1° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | H11 | 179.6° | 180.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 179.7° | 179.9° |
| C13 | C12 | C11 | H9 | 179.8° | 180.0° |
| C12 | C13 | C14 | H12 | 179.0° | 180.0° |
| H2 | C3 | C4 | H3 | 1.4° | 0.0° |
| H4 | C5 | C6 | H5 | 2.5° | 0.0° |
| H6 | C7 | C8 | H7 | 137.8° | 65.0° |
| H6 | C7 | C8 | H8 | 18.7° | 175.0° |
| H6 | C7 | N4 | H15 | 110.3° | 145.0° |
| H9 | C11 | C12 | H10 | 0.2° | 0.1° |
| H10 | C12 | C13 | H11 | 0.3° | 0.0° |
| H11 | C13 | C14 | H12 | 1.0° | 0.1° |
| H13 | N3 | C16 | H14 | 0.4° | 0.1° |
| H17 | C22 | C23 | H18 | 1.6° | 0.3° |
| H19 | C24 | C25 | H21 | 79.6° | 58.3° |
| H19 | C24 | C25 | H22 | 39.4° | 178.4° |
| H20 | C24 | C25 | H21 | 40.1° | 61.7° |
| H20 | C24 | C25 | H22 | 159.1° | 58.4° |
| H23 | C26 | C27 | H25 | 81.8° | 61.6° |
| H23 | C26 | C27 | H26 | 37.9° | 58.5° |
| H24 | C26 | C27 | H25 | 36.9° | 58.4° |
| H24 | C26 | C27 | H26 | 156.6° | 178.5° |
| H27 | C29 | C30 | H28 | 2.4° | 0.1° |
| H29 | C32 | C33 | H30 | 0.6° | 0.1° |
