S4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.48Å | |
| C28 | C26 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | O2 | doub | 1.21Å | 1.23Å | |
| C25 | N7 | sing | 1.35Å | 1.36Å | |
| N7 | C23 | sing | 1.39Å | 1.41Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | O1 | sing | 1.36Å | 1.37Å | |
| C21 | N6 | doub | 1.33Å | 1.32Å | Aromatic |
| C24 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.40Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.42Å | |
| N | C6 | sing | 1.35Å | 1.38Å | |
| C6 | O | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C7 | sing | 1.40Å | 1.42Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| F1 | C13 | sing | 1.40Å | 1.34Å | |
| C10 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | F2 | sing | 1.40Å | 1.34Å | |
| C13 | F | sing | 1.40Å | 1.34Å | |
| C14 | N2 | sing | 1.47Å | 1.48Å | |
| C20 | N2 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C15 | N2 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C19 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| C16 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C18 | sing | 1.34Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C | H23 | sing | 1.08Å | 1.08Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C26 | 60.5° | 60.0° |
| C28 | C27 | C26 | 60.7° | 60.0° |
| C28 | C27 | H16 | 119.9° | 117.5° |
| C28 | C27 | H17 | 119.9° | 117.5° |
| C27 | C28 | H19 | 119.9° | 117.5° |
| C27 | C28 | H20 | 119.9° | 117.5° |
| C28 | C26 | C27 | 58.8° | 60.0° |
| C28 | C26 | C25 | 118.0° | 117.5° |
| C28 | C26 | H18 | 116.7° | 117.5° |
| C26 | C28 | H19 | 119.9° | 117.5° |
| C26 | C28 | H20 | 119.9° | 117.6° |
| C27 | C26 | C25 | 118.1° | 117.5° |
| C26 | C27 | H16 | 119.9° | 117.5° |
| C26 | C27 | H17 | 119.9° | 117.5° |
| C27 | C26 | H18 | 116.7° | 117.5° |
| C26 | C25 | O2 | 122.0° | 120.0° |
| C26 | C25 | N7 | 113.9° | 120.0° |
| C25 | C26 | H18 | 116.3° | 115.6° |
| O2 | C25 | N7 | 124.1° | 120.0° |
| C25 | N7 | C23 | 129.0° | 120.0° |
| C25 | N7 | H21 | 115.5° | 120.0° |
| N7 | C23 | C22 | 124.8° | 120.5° |
| N7 | C23 | N5 | 112.6° | 120.5° |
| C23 | N7 | H21 | 115.5° | 120.0° |
| C22 | C23 | N5 | 122.6° | 119.1° |
| C23 | C22 | C21 | 115.4° | 118.3° |
| C23 | C22 | H14 | 122.3° | 120.9° |
| C23 | N5 | C24 | 115.0° | 120.9° |
| C22 | C21 | O1 | 115.0° | 120.4° |
| C22 | C21 | N6 | 124.2° | 119.1° |
| C21 | C22 | H14 | 122.3° | 120.9° |
| N5 | C24 | N6 | 128.3° | 121.9° |
| N5 | C24 | H15 | 115.8° | 119.1° |
| O1 | C21 | N6 | 120.8° | 120.5° |
| C21 | O1 | C2 | 121.8° | 118.0° |
| C21 | N6 | C24 | 114.6° | 120.9° |
| N6 | C24 | H15 | 115.8° | 119.0° |
| O1 | C2 | C1 | 117.9° | 120.0° |
| O1 | C2 | C3 | 122.0° | 119.9° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C2 | C1 | C | 119.8° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H2 | 120.0° | 120.1° |
| C1 | C | C5 | 120.5° | 120.0° |
| C | C1 | H1 | 120.1° | 120.0° |
| C1 | C | H23 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H2 | 120.1° | 120.0° |
| C3 | C4 | H22 | 119.8° | 120.0° |
| C | C5 | C4 | 119.2° | 119.9° |
| C | C5 | N | 117.3° | 120.1° |
| C5 | C | H23 | 119.7° | 120.0° |
| C4 | C5 | N | 123.5° | 120.0° |
| C5 | C4 | H22 | 119.8° | 120.0° |
| C5 | N | C6 | 128.9° | 120.0° |
| C5 | N | H24 | 115.5° | 120.0° |
| N | C6 | O | 124.3° | 120.0° |
| N | C6 | N1 | 112.3° | 120.0° |
| C6 | N | H24 | 115.6° | 120.0° |
| O | C6 | N1 | 123.4° | 120.0° |
| C6 | N1 | C7 | 127.3° | 120.0° |
| C6 | N1 | H25 | 116.4° | 120.0° |
| N1 | C7 | C8 | 116.9° | 120.0° |
| N1 | C7 | C12 | 123.9° | 120.1° |
| C7 | N1 | H25 | 116.4° | 120.0° |
| C8 | C7 | C12 | 119.3° | 119.9° |
| C7 | C8 | C9 | 120.0° | 119.9° |
| C7 | C8 | H3 | 120.0° | 120.1° |
| C7 | C12 | C11 | 121.2° | 119.9° |
| C7 | C12 | H5 | 119.4° | 120.0° |
| C8 | C9 | C10 | 121.6° | 120.1° |
| C9 | C8 | H3 | 120.0° | 120.0° |
| C8 | C9 | H4 | 119.2° | 120.0° |
| C12 | C11 | C10 | 119.2° | 120.1° |
| C12 | C11 | C13 | 114.6° | 120.0° |
| C11 | C12 | H5 | 119.4° | 120.0° |
| C9 | C10 | C11 | 118.8° | 120.1° |
| C9 | C10 | C14 | 120.5° | 120.0° |
| C10 | C9 | H4 | 119.2° | 119.9° |
| C10 | C11 | C13 | 126.2° | 119.9° |
| C11 | C10 | C14 | 120.7° | 120.0° |
| C11 | C13 | F1 | 113.0° | 109.5° |
| C11 | C13 | F2 | 112.9° | 109.4° |
| C11 | C13 | F | 112.9° | 109.5° |
| F1 | C13 | F2 | 105.1° | 109.5° |
| F1 | C13 | F | 105.6° | 109.5° |
| C10 | C14 | N2 | 118.4° | 109.4° |
| C10 | C14 | H6 | 107.2° | 109.4° |
| C10 | C14 | H7 | 107.2° | 109.4° |
| F2 | C13 | F | 106.6° | 109.5° |
| C14 | N2 | C20 | 111.7° | 111.0° |
| C14 | N2 | C15 | 113.2° | 111.0° |
| N2 | C14 | H6 | 107.2° | 109.5° |
| N2 | C14 | H7 | 107.2° | 109.5° |
| N2 | C20 | C19 | 105.2° | 108.1° |
| C20 | N2 | C15 | 111.7° | 111.2° |
| N2 | C20 | H12 | 110.5° | 109.7° |
| N2 | C20 | H13 | 110.5° | 109.7° |
| C20 | C19 | N3 | 121.1° | 123.2° |
| C20 | C19 | N4 | 128.2° | 128.1° |
| C19 | C20 | H12 | 110.5° | 109.7° |
| C19 | C20 | H13 | 110.5° | 109.7° |
| N2 | C15 | C16 | 110.8° | 109.7° |
| N2 | C15 | H8 | 109.1° | 109.4° |
| N2 | C15 | H9 | 109.1° | 109.4° |
| C15 | C16 | N3 | 112.5° | 108.2° |
| C16 | C15 | H8 | 109.2° | 109.5° |
| C16 | C15 | H9 | 109.1° | 109.4° |
| C15 | C16 | H10 | 108.7° | 109.7° |
| C15 | C16 | H11 | 108.7° | 109.7° |
| N3 | C19 | N4 | 110.7° | 108.7° |
| C19 | N3 | C16 | 123.8° | 123.9° |
| C19 | N3 | C17 | 107.0° | 107.4° |
| C19 | N4 | C18 | 105.7° | 109.2° |
| C16 | N3 | C17 | 129.2° | 128.7° |
| N3 | C16 | H10 | 108.7° | 109.7° |
| N3 | C16 | H11 | 108.7° | 109.7° |
| N3 | C17 | C18 | 106.1° | 106.6° |
| N3 | C17 | H28 | 127.0° | 126.7° |
| N4 | C18 | C17 | 110.5° | 108.1° |
| N4 | C18 | H27 | 124.8° | 126.0° |
| C17 | C18 | H27 | 124.8° | 125.9° |
| C18 | C17 | H28 | 126.9° | 126.7° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.5° | 109.8° |
| H12 | C20 | H13 | 109.5° | 109.8° |
| H16 | C27 | H17 | 109.5° | 115.5° |
| H19 | C28 | H20 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C26 | H19 | 109.6° | 107.5° |
| C27 | C28 | C26 | H20 | 109.6° | 107.5° |
| C28 | C27 | C26 | H16 | 109.6° | 107.5° |
| C28 | C27 | C26 | H17 | 109.6° | 107.5° |
| C27 | C28 | C26 | C25 | 107.6° | 107.5° |
| C28 | C27 | H16 | H17 | 144.4° | 145.7° |
| C27 | C28 | C26 | H18 | 106.5° | 107.6° |
| C27 | C28 | H19 | H20 | 144.5° | 145.6° |
| C28 | C26 | C25 | H18 | 146.1° | 145.6° |
| C28 | C26 | C25 | O2 | 19.5° | 68.7° |
| C28 | C26 | C25 | N7 | 160.4° | 111.4° |
| C26 | C28 | H19 | H20 | 144.4° | 145.8° |
| C27 | C26 | C25 | H18 | 146.3° | 145.7° |
| C27 | C26 | C25 | O2 | 48.1° | 0.0° |
| C27 | C26 | C25 | N7 | 131.9° | 180.0° |
| C26 | C27 | H16 | H17 | 144.4° | 145.7° |
| C26 | C25 | O2 | N7 | 180.0° | 180.0° |
| C26 | C25 | N7 | C23 | 179.1° | 174.9° |
| C25 | C26 | C27 | H16 | 2.2° | 145.1° |
| C25 | C26 | C27 | H17 | 143.0° | 0.0° |
| C25 | C26 | C28 | H19 | 142.8° | 145.0° |
| C25 | C26 | C28 | H20 | 2.1° | 0.0° |
| C26 | C25 | N7 | H21 | 0.9° | 5.1° |
| O2 | C25 | N7 | C23 | 0.9° | 5.1° |
| O2 | C25 | C26 | H18 | 165.6° | 145.7° |
| O2 | C25 | N7 | H21 | 179.1° | 174.9° |
| C25 | N7 | C23 | H21 | 180.0° | 179.9° |
| C25 | N7 | C23 | C22 | 0.2° | 174.6° |
| C25 | N7 | C23 | N5 | 180.0° | 5.4° |
| N7 | C25 | C26 | H18 | 14.4° | 34.3° |
| N7 | C23 | C22 | N5 | 179.8° | 180.0° |
| N7 | C23 | C22 | C21 | 179.7° | 180.0° |
| N7 | C23 | N5 | C24 | 179.7° | 180.0° |
| N7 | C23 | C22 | H14 | 0.3° | 0.0° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C22 | C23 | N5 | C24 | 0.1° | 0.0° |
| C23 | C22 | C21 | O1 | 180.0° | 180.0° |
| C23 | C22 | C21 | N6 | 0.2° | 0.0° |
| C22 | C23 | N7 | H21 | 179.8° | 5.5° |
| N5 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | N5 | C24 | N6 | 0.3° | 0.0° |
| N5 | C23 | C22 | H14 | 179.9° | 180.0° |
| C23 | N5 | C24 | H15 | 179.7° | 180.0° |
| N5 | C23 | N7 | H21 | 0.0° | 174.5° |
| C22 | C21 | O1 | N6 | 179.8° | 179.9° |
| C22 | C21 | N6 | C24 | 0.3° | 0.0° |
| C22 | C21 | O1 | C2 | 164.5° | 174.7° |
| N5 | C24 | N6 | C21 | 0.4° | 0.0° |
| N5 | C24 | N6 | H15 | 180.0° | 180.0° |
| O1 | C21 | N6 | C24 | 179.8° | 180.0° |
| C21 | O1 | C2 | C1 | 129.0° | 66.8° |
| C21 | O1 | C2 | C3 | 51.3° | 113.2° |
| O1 | C21 | C22 | H14 | 0.0° | 0.1° |
| N6 | C21 | O1 | C2 | 15.7° | 5.3° |
| N6 | C21 | C22 | H14 | 179.8° | 180.0° |
| C21 | N6 | C24 | H15 | 179.6° | 180.0° |
| O1 | C2 | C1 | C3 | 179.7° | 180.0° |
| O1 | C2 | C1 | C | 180.0° | 180.0° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| O1 | C2 | C1 | H1 | 0.0° | 0.3° |
| O1 | C2 | C3 | H2 | 0.1° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C | H23 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 0.2° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C2 | C3 | C4 | H22 | 179.7° | 180.0° |
| C1 | C | C5 | H23 | 180.0° | 179.7° |
| C1 | C | C5 | C4 | 0.1° | 0.0° |
| C1 | C | C5 | N | 179.8° | 180.0° |
| C3 | C4 | C5 | C | 0.0° | 0.0° |
| C3 | C4 | C5 | H22 | 180.0° | 180.0° |
| C3 | C4 | C5 | N | 179.9° | 180.0° |
| C | C5 | C4 | N | 179.9° | 180.0° |
| C | C5 | N | C6 | 180.0° | 146.0° |
| C5 | C | C1 | H1 | 180.0° | 179.7° |
| C | C5 | C4 | H22 | 180.0° | 180.0° |
| C | C5 | N | H24 | 0.0° | 33.9° |
| C4 | C5 | N | C6 | 0.1° | 34.0° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C | H23 | 179.9° | 179.7° |
| C4 | C5 | N | H24 | 179.9° | 146.1° |
| C5 | N | C6 | H24 | 180.0° | 179.9° |
| C5 | N | C6 | O | 2.0° | 5.0° |
| C5 | N | C6 | N1 | 178.0° | 175.0° |
| N | C5 | C4 | H22 | 0.1° | 0.0° |
| N | C5 | C | H23 | 0.2° | 0.3° |
| N | C6 | O | N1 | 180.0° | 180.0° |
| N | C6 | N1 | C7 | 159.8° | 175.0° |
| N | C6 | N1 | H25 | 20.2° | 5.0° |
| O | C6 | N1 | C7 | 20.2° | 5.0° |
| O | C6 | N | H24 | 178.0° | 174.9° |
| O | C6 | N1 | H25 | 159.8° | 175.0° |
| C6 | N1 | C7 | H25 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 139.7° | 34.0° |
| C6 | N1 | C7 | C12 | 40.1° | 146.3° |
| N1 | C6 | N | H24 | 2.0° | 5.1° |
| N1 | C7 | C8 | C12 | 179.8° | 179.7° |
| N1 | C7 | C8 | C9 | 179.9° | 179.7° |
| N1 | C7 | C12 | C11 | 179.9° | 179.7° |
| N1 | C7 | C8 | H3 | 0.2° | 0.3° |
| N1 | C7 | C12 | H5 | 0.1° | 0.3° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.0° | 0.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H4 | 179.9° | 180.0° |
| C8 | C7 | C12 | H5 | 179.9° | 179.9° |
| C8 | C7 | N1 | H25 | 40.3° | 146.0° |
| C12 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C12 | C11 | H5 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 0.0° | 0.0° |
| C7 | C12 | C11 | C13 | 179.9° | 180.0° |
| C12 | C7 | C8 | H3 | 180.0° | 180.0° |
| C12 | C7 | N1 | H25 | 139.9° | 33.7° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | C14 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | C13 | 179.9° | 180.0° |
| C12 | C11 | C13 | F1 | 1.8° | 117.5° |
| C12 | C11 | C10 | C14 | 179.9° | 180.0° |
| C12 | C11 | C13 | F2 | 117.3° | 2.5° |
| C12 | C11 | C13 | F | 121.7° | 122.5° |
| C9 | C10 | C11 | C14 | 179.8° | 180.0° |
| C9 | C10 | C11 | C13 | 179.8° | 180.0° |
| C9 | C10 | C14 | N2 | 19.2° | 102.3° |
| C10 | C9 | C8 | H3 | 179.9° | 180.0° |
| C9 | C10 | C14 | H6 | 102.0° | 137.7° |
| C9 | C10 | C14 | H7 | 140.5° | 17.7° |
| C10 | C11 | C13 | F1 | 178.2° | 62.5° |
| C10 | C11 | C13 | F2 | 62.6° | 177.5° |
| C10 | C11 | C13 | F | 58.4° | 57.5° |
| C11 | C10 | C14 | N2 | 161.0° | 77.8° |
| C11 | C10 | C9 | H4 | 179.8° | 180.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C14 | H6 | 77.7° | 42.3° |
| C11 | C10 | C14 | H7 | 39.7° | 162.2° |
| C11 | C13 | F1 | F2 | 123.6° | 120.0° |
| C11 | C13 | F1 | F | 123.9° | 120.0° |
| C13 | C11 | C10 | C14 | 0.0° | 0.0° |
| C11 | C13 | F2 | F | 124.5° | 120.0° |
| C13 | C11 | C12 | H5 | 0.1° | 0.1° |
| F1 | C13 | F2 | F | 111.8° | 120.0° |
| C10 | C14 | N2 | H6 | 121.3° | 120.0° |
| C10 | C14 | N2 | H7 | 121.3° | 120.0° |
| C10 | C14 | N2 | C20 | 82.6° | 62.0° |
| C10 | C14 | N2 | C15 | 44.5° | 173.8° |
| C14 | C10 | C9 | H4 | 0.1° | 0.0° |
| C10 | C14 | H6 | H7 | 115.9° | 119.9° |
| C14 | N2 | C20 | C15 | 127.9° | 124.1° |
| C14 | N2 | C20 | C19 | 169.5° | 174.2° |
| C14 | N2 | C15 | C16 | 167.1° | 165.1° |
| N2 | C14 | H6 | H7 | 116.0° | 120.1° |
| C14 | N2 | C15 | H8 | 46.9° | 74.8° |
| C14 | N2 | C15 | H9 | 72.7° | 45.0° |
| C14 | N2 | C20 | H12 | 71.2° | 66.2° |
| C14 | N2 | C20 | H13 | 50.1° | 54.6° |
| N2 | C20 | C19 | H12 | 119.3° | 119.6° |
| N2 | C20 | C19 | H13 | 119.3° | 119.6° |
| C20 | N2 | C15 | C16 | 65.8° | 70.8° |
| N2 | C20 | C19 | N3 | 30.2° | 15.8° |
| N2 | C20 | C19 | N4 | 149.8° | 164.1° |
| C20 | N2 | C14 | H6 | 38.7° | 178.0° |
| C20 | N2 | C14 | H7 | 156.1° | 57.9° |
| C20 | N2 | C15 | H8 | 174.0° | 49.3° |
| C20 | N2 | C15 | H9 | 54.4° | 169.1° |
| N2 | C20 | H12 | H13 | 122.0° | 120.7° |
| C19 | C20 | N2 | C15 | 62.6° | 50.2° |
| C20 | C19 | N3 | N4 | 180.0° | 179.9° |
| C20 | C19 | N3 | C16 | 0.0° | 0.3° |
| C20 | C19 | N3 | C17 | 180.0° | 179.7° |
| C20 | C19 | N4 | C18 | 180.0° | 179.8° |
| C19 | C20 | H12 | H13 | 122.0° | 120.7° |
| N2 | C15 | C16 | H8 | 120.2° | 120.0° |
| N2 | C15 | C16 | H9 | 120.2° | 120.1° |
| N2 | C15 | C16 | N3 | 30.6° | 49.7° |
| C15 | N2 | C14 | H6 | 165.7° | 53.8° |
| C15 | N2 | C14 | H7 | 76.8° | 66.3° |
| N2 | C15 | H8 | H9 | 119.4° | 119.9° |
| N2 | C15 | C16 | H10 | 89.9° | 69.9° |
| N2 | C15 | C16 | H11 | 151.0° | 169.3° |
| C15 | N2 | C20 | H12 | 56.7° | 169.8° |
| C15 | N2 | C20 | H13 | 178.0° | 69.5° |
| C15 | C16 | N3 | C19 | 0.2° | 16.3° |
| C15 | C16 | N3 | H10 | 120.5° | 119.7° |
| C15 | C16 | N3 | H11 | 120.4° | 119.7° |
| C15 | C16 | N3 | C17 | 179.8° | 163.6° |
| C16 | C15 | H8 | H9 | 119.4° | 119.9° |
| C15 | C16 | H10 | H11 | 118.6° | 120.7° |
| C19 | N3 | C16 | C17 | 179.9° | 179.9° |
| N3 | C19 | N4 | C18 | 0.1° | 0.1° |
| C19 | N3 | C17 | C18 | 0.0° | 0.1° |
| C19 | N3 | C16 | H10 | 120.6° | 103.4° |
| C19 | N3 | C16 | H11 | 120.2° | 136.0° |
| N3 | C19 | C20 | H12 | 89.1° | 135.4° |
| N3 | C19 | C20 | H13 | 149.5° | 103.9° |
| C19 | N3 | C17 | H28 | 180.0° | 180.0° |
| N4 | C19 | N3 | C16 | 180.0° | 179.8° |
| N4 | C19 | N3 | C17 | 0.1° | 0.1° |
| C19 | N4 | C18 | C17 | 0.0° | 0.0° |
| N4 | C19 | C20 | H12 | 90.8° | 44.5° |
| N4 | C19 | C20 | H13 | 30.5° | 76.3° |
| C19 | N4 | C18 | H27 | 179.9° | 179.9° |
| C16 | N3 | C17 | C18 | 180.0° | 179.8° |
| N3 | C16 | C15 | H8 | 150.8° | 70.4° |
| N3 | C16 | C15 | H9 | 89.6° | 169.7° |
| N3 | C16 | H10 | H11 | 118.6° | 120.6° |
| C16 | N3 | C17 | H28 | 0.0° | 0.1° |
| N3 | C17 | C18 | N4 | 0.0° | 0.1° |
| N3 | C17 | C18 | H28 | 180.0° | 179.9° |
| C17 | N3 | C16 | H10 | 59.3° | 76.7° |
| C17 | N3 | C16 | H11 | 59.8° | 44.0° |
| N3 | C17 | C18 | H27 | 180.0° | 180.0° |
| N4 | C18 | C17 | H27 | 180.0° | 179.9° |
| N4 | C18 | C17 | H28 | 180.0° | 180.0° |
| H1 | C1 | C | H23 | 0.0° | 0.0° |
| H2 | C3 | C4 | H22 | 0.3° | 0.0° |
| H3 | C8 | C9 | H4 | 0.1° | 0.0° |
| H8 | C15 | C16 | H10 | 30.3° | 170.0° |
| H8 | C15 | C16 | H11 | 88.8° | 49.3° |
| H9 | C15 | C16 | H10 | 149.9° | 50.1° |
| H9 | C15 | C16 | H11 | 30.8° | 70.6° |
| H16 | C27 | C26 | H18 | 143.9° | 0.0° |
| H16 | C27 | C28 | H19 | 140.7° | 0.0° |
| H16 | C27 | C28 | H20 | 0.0° | 144.9° |
| H17 | C27 | C26 | H18 | 3.2° | 145.0° |
| H17 | C27 | C28 | H19 | 0.1° | 145.0° |
| H17 | C27 | C28 | H20 | 140.7° | 0.0° |
| H18 | C26 | C28 | H19 | 3.2° | 0.1° |
| H18 | C26 | C28 | H20 | 143.9° | 145.0° |
| H27 | C18 | C17 | H28 | 0.0° | 0.1° |
