930
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | N2 | sing | 1.40Å | 1.43Å | |
| C22 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C7 | sing | 1.54Å | 1.53Å | |
| C28 | N4 | sing | 1.49Å | 1.47Å | |
| C7 | C11 | sing | 1.54Å | 1.53Å | |
| C11 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | N4 | sing | 1.48Å | 1.47Å | |
| N2 | C50 | sing | 1.34Å | 1.36Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C50 | O3 | doub | 1.21Å | 1.22Å | |
| C50 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C12 | N1 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| N1 | S1 | sing | 1.66Å | 1.62Å | |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | C6 | sing | 1.76Å | 1.77Å | |
| C6 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C4 | doub | 1.42Å | 1.42Å | Aromatic |
| C17 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.73Å | |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 1.01Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C21 | C15 | 120.6° | 120.1° |
| F2 | C21 | C24 | 116.6° | 120.1° |
| C15 | C21 | C24 | 122.8° | 119.9° |
| C21 | C15 | C22 | 117.0° | 119.9° |
| C21 | C15 | N2 | 123.6° | 120.1° |
| C21 | C24 | C27 | 119.8° | 120.0° |
| C21 | C24 | H24 | 120.1° | 119.9° |
| C22 | C15 | N2 | 119.4° | 120.1° |
| C15 | C22 | C26 | 120.6° | 120.0° |
| C15 | C22 | H22 | 119.7° | 120.0° |
| C15 | N2 | C50 | 124.3° | 124.4° |
| C15 | N2 | C14 | 123.3° | 124.4° |
| C22 | C26 | C27 | 121.4° | 120.1° |
| C26 | C22 | H22 | 119.7° | 120.0° |
| C22 | C26 | H26 | 119.3° | 120.0° |
| C26 | C27 | C28 | 120.2° | 119.9° |
| C26 | C27 | C24 | 118.3° | 120.2° |
| C27 | C26 | H26 | 119.3° | 120.0° |
| C28 | C27 | C24 | 121.4° | 119.9° |
| C27 | C28 | C7 | 113.6° | 110.4° |
| C27 | C28 | N4 | 112.4° | 110.4° |
| C27 | C28 | H28 | 103.2° | 110.4° |
| C27 | C24 | H24 | 120.1° | 120.0° |
| C7 | C28 | N4 | 105.4° | 104.6° |
| C28 | C7 | C11 | 104.7° | 105.1° |
| C7 | C28 | H28 | 110.6° | 110.5° |
| C28 | C7 | H71C | 111.1° | 110.3° |
| C28 | C7 | H72C | 112.1° | 110.3° |
| C28 | N4 | C8 | 106.7° | 104.2° |
| N4 | C28 | H28 | 111.8° | 110.4° |
| C28 | N4 | H4 | 110.4° | 111.0° |
| C7 | C11 | C8 | 105.9° | 105.1° |
| C11 | C7 | H71C | 111.1° | 110.3° |
| C11 | C7 | H72C | 112.1° | 110.4° |
| C7 | C11 | H111 | 110.7° | 110.4° |
| C7 | C11 | H112 | 111.4° | 110.3° |
| C11 | C8 | N4 | 106.7° | 104.6° |
| C8 | C11 | H111 | 110.7° | 110.3° |
| C8 | C11 | H112 | 111.4° | 110.3° |
| C11 | C8 | H81C | 110.4° | 110.4° |
| C11 | C8 | H82C | 111.0° | 110.4° |
| C8 | N4 | H4 | 110.4° | 111.0° |
| N4 | C8 | H81C | 110.4° | 110.5° |
| N4 | C8 | H82C | 111.0° | 110.4° |
| C50 | N2 | C14 | 112.4° | 111.3° |
| N2 | C50 | O3 | 126.5° | 124.9° |
| N2 | C50 | C12 | 108.8° | 110.1° |
| N2 | C14 | C13 | 104.4° | 105.4° |
| N2 | C14 | H141 | 111.2° | 110.3° |
| N2 | C14 | H142 | 112.3° | 110.3° |
| O3 | C50 | C12 | 124.7° | 124.9° |
| C50 | C12 | C13 | 102.4° | 104.2° |
| C50 | C12 | N1 | 111.7° | 110.5° |
| C50 | C12 | H12 | 114.0° | 110.4° |
| C13 | C12 | N1 | 113.1° | 110.5° |
| C12 | C13 | C14 | 104.8° | 101.7° |
| C13 | C12 | H12 | 112.5° | 110.5° |
| C12 | C13 | H131 | 111.0° | 111.0° |
| C12 | C13 | H132 | 112.0° | 111.0° |
| C12 | N1 | S1 | 122.5° | 120.0° |
| N1 | C12 | H12 | 103.5° | 110.6° |
| C12 | N1 | H1 | 105.4° | 120.0° |
| C13 | C14 | H141 | 111.2° | 110.4° |
| C13 | C14 | H142 | 112.3° | 110.2° |
| C14 | C13 | H131 | 111.1° | 111.2° |
| C14 | C13 | H132 | 112.1° | 110.9° |
| N1 | S1 | O2 | 101.9° | 106.4° |
| N1 | S1 | O1 | 112.1° | 106.4° |
| N1 | S1 | C6 | 109.3° | 107.2° |
| S1 | N1 | H1 | 105.3° | 120.0° |
| O2 | S1 | O1 | 119.8° | 123.2° |
| O2 | S1 | C6 | 105.7° | 106.4° |
| O1 | S1 | C6 | 107.6° | 106.4° |
| S1 | C6 | C16 | 116.2° | 119.5° |
| S1 | C6 | C5 | 120.8° | 119.5° |
| C16 | C6 | C5 | 123.1° | 121.0° |
| C6 | C16 | C18 | 118.9° | 121.0° |
| C6 | C16 | H16 | 120.6° | 119.5° |
| C6 | C5 | C4 | 118.9° | 119.6° |
| C6 | C5 | H5 | 120.5° | 120.2° |
| C16 | C18 | C17 | 119.4° | 119.7° |
| C18 | C16 | H16 | 120.6° | 119.5° |
| C16 | C18 | H18 | 120.3° | 120.2° |
| C18 | C17 | C4 | 121.2° | 119.3° |
| C18 | C17 | C9 | 119.4° | 121.3° |
| C17 | C18 | H18 | 120.3° | 120.1° |
| C4 | C17 | C9 | 119.3° | 119.4° |
| C17 | C4 | C5 | 118.5° | 119.3° |
| C17 | C4 | C3 | 120.2° | 119.4° |
| C17 | C9 | C1 | 119.2° | 119.6° |
| C17 | C9 | H9 | 120.4° | 120.2° |
| C5 | C4 | C3 | 121.2° | 121.3° |
| C4 | C5 | H5 | 120.5° | 120.2° |
| C4 | C3 | C2 | 120.0° | 119.7° |
| C4 | C3 | H3 | 120.0° | 120.2° |
| C9 | C1 | CL1 | 116.1° | 119.5° |
| C9 | C1 | C2 | 122.1° | 121.0° |
| C1 | C9 | H9 | 120.4° | 120.2° |
| CL1 | C1 | C2 | 121.8° | 119.5° |
| C1 | C2 | C3 | 119.2° | 120.9° |
| C1 | C2 | H2 | 120.4° | 119.6° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C3 | C2 | H2 | 120.4° | 119.5° |
| H71C | C7 | H72C | 105.9° | 110.4° |
| H111 | C11 | H112 | 106.8° | 110.4° |
| H81C | C8 | H82C | 107.3° | 110.5° |
| H141 | C14 | H142 | 105.6° | 110.2° |
| H131 | C13 | H132 | 105.9° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C21 | C15 | C24 | 180.0° | 179.8° |
| F2 | C21 | C15 | C22 | 179.3° | 179.9° |
| F2 | C21 | C15 | N2 | 0.2° | 0.0° |
| F2 | C21 | C24 | C27 | 179.3° | 179.7° |
| F2 | C21 | C24 | H24 | 0.7° | 0.1° |
| C21 | C15 | C22 | N2 | 179.1° | 180.0° |
| C21 | C15 | C22 | C26 | 0.6° | 0.0° |
| C15 | C21 | C24 | C27 | 0.7° | 0.5° |
| C21 | C15 | N2 | C50 | 47.5° | 90.0° |
| C21 | C15 | N2 | C14 | 133.5° | 89.7° |
| C15 | C21 | C24 | H24 | 179.2° | 179.7° |
| C21 | C15 | C22 | H22 | 179.4° | 180.0° |
| C24 | C21 | C15 | C22 | 0.7° | 0.3° |
| C24 | C21 | C15 | N2 | 179.8° | 179.8° |
| C21 | C24 | C27 | C26 | 0.6° | 0.5° |
| C21 | C24 | C27 | C28 | 178.8° | 179.7° |
| C21 | C24 | C27 | H24 | 180.0° | 179.8° |
| C15 | C22 | C26 | H22 | 180.0° | 179.9° |
| C15 | C22 | C26 | C27 | 0.5° | 0.0° |
| C22 | C15 | N2 | C50 | 131.6° | 90.0° |
| C22 | C15 | N2 | C14 | 47.4° | 90.4° |
| C15 | C22 | C26 | H26 | 179.5° | 180.0° |
| N2 | C15 | C22 | C26 | 179.7° | 180.0° |
| C15 | N2 | C50 | C14 | 179.1° | 179.7° |
| C15 | N2 | C50 | O3 | 5.4° | 0.4° |
| C15 | N2 | C50 | C12 | 174.3° | 179.6° |
| C15 | N2 | C14 | C13 | 168.6° | 162.9° |
| N2 | C15 | C22 | H22 | 0.2° | 0.1° |
| C15 | N2 | C14 | H141 | 48.6° | 78.0° |
| C15 | N2 | C14 | H142 | 69.5° | 44.0° |
| C22 | C26 | C27 | H26 | 180.0° | 180.0° |
| C22 | C26 | C27 | C28 | 178.8° | 179.9° |
| C22 | C26 | C27 | C24 | 0.5° | 0.3° |
| C26 | C27 | C28 | C24 | 178.2° | 179.8° |
| C26 | C27 | C28 | C7 | 152.9° | 100.0° |
| C26 | C27 | C28 | N4 | 87.5° | 144.8° |
| C26 | C27 | C24 | H24 | 179.3° | 179.7° |
| C27 | C26 | C22 | H22 | 179.4° | 180.0° |
| C26 | C27 | C28 | H28 | 33.2° | 22.4° |
| C27 | C28 | C7 | N4 | 123.5° | 118.8° |
| C27 | C28 | C7 | H28 | 115.5° | 122.4° |
| C27 | C28 | N4 | H28 | 115.6° | 122.3° |
| C27 | C28 | C7 | C11 | 97.0° | 142.6° |
| C27 | C28 | N4 | C8 | 90.5° | 158.3° |
| C28 | C27 | C24 | H24 | 1.1° | 0.1° |
| C28 | C27 | C26 | H26 | 1.2° | 0.0° |
| C27 | C28 | C7 | H71C | 23.1° | 23.7° |
| C27 | C28 | C7 | H72C | 141.3° | 98.5° |
| C27 | C28 | N4 | H4 | 149.5° | 82.1° |
| C24 | C27 | C28 | C7 | 28.9° | 80.2° |
| C24 | C27 | C28 | N4 | 90.7° | 34.9° |
| C24 | C27 | C26 | H26 | 179.4° | 179.8° |
| C24 | C27 | C28 | H28 | 148.7° | 157.3° |
| C7 | C28 | N4 | H28 | 120.2° | 118.8° |
| C28 | C7 | C11 | H71C | 120.0° | 118.8° |
| C28 | C7 | C11 | H72C | 121.8° | 118.9° |
| C28 | C7 | C11 | C8 | 10.0° | 0.0° |
| C7 | C28 | N4 | C8 | 33.8° | 39.4° |
| C28 | C7 | H71C | H72C | 121.9° | 122.1° |
| C7 | C28 | N4 | H4 | 86.2° | 159.1° |
| C28 | C7 | C11 | H111 | 110.0° | 118.9° |
| C28 | C7 | C11 | H112 | 131.3° | 118.8° |
| N4 | C28 | C7 | C11 | 26.5° | 23.8° |
| C28 | N4 | C8 | C11 | 27.4° | 39.5° |
| C28 | N4 | C8 | H4 | 120.0° | 119.6° |
| N4 | C28 | C7 | H71C | 146.6° | 95.0° |
| N4 | C28 | C7 | H72C | 95.2° | 142.7° |
| C28 | N4 | C8 | H81C | 92.7° | 158.3° |
| C28 | N4 | C8 | H82C | 148.4° | 79.3° |
| C7 | C11 | C8 | H111 | 120.0° | 118.9° |
| C7 | C11 | C8 | H112 | 121.4° | 118.8° |
| C7 | C11 | C8 | N4 | 10.1° | 23.9° |
| C11 | C7 | C28 | H28 | 147.5° | 95.0° |
| C11 | C7 | H71C | H72C | 121.9° | 122.2° |
| C7 | C11 | H111 | H112 | 121.5° | 122.2° |
| C7 | C11 | C8 | H81C | 109.9° | 142.7° |
| C7 | C11 | C8 | H82C | 131.2° | 94.9° |
| C11 | C8 | N4 | H81C | 120.0° | 118.8° |
| C11 | C8 | N4 | H82C | 121.1° | 118.7° |
| C8 | C11 | C7 | H71C | 130.0° | 118.9° |
| C8 | C11 | C7 | H72C | 111.8° | 118.9° |
| C11 | C8 | N4 | H4 | 92.6° | 159.0° |
| C8 | C11 | H111 | H112 | 121.5° | 122.2° |
| C11 | C8 | H81C | H82C | 121.1° | 122.4° |
| C8 | N4 | C28 | H28 | 153.9° | 79.4° |
| N4 | C8 | C11 | H111 | 130.1° | 95.1° |
| N4 | C8 | C11 | H112 | 111.2° | 142.7° |
| N4 | C8 | H81C | H82C | 121.1° | 122.4° |
| N2 | C50 | O3 | C12 | 179.6° | 179.9° |
| N2 | C50 | C12 | C13 | 19.8° | 16.3° |
| N2 | C50 | C12 | N1 | 141.1° | 102.4° |
| C50 | N2 | C14 | C13 | 12.4° | 17.4° |
| C50 | N2 | C14 | H141 | 132.4° | 101.7° |
| C50 | N2 | C14 | H142 | 109.5° | 136.3° |
| N2 | C50 | C12 | H12 | 102.1° | 134.9° |
| C14 | N2 | C50 | O3 | 175.6° | 179.3° |
| C14 | N2 | C50 | C12 | 4.8° | 0.7° |
| N2 | C14 | C13 | C12 | 24.2° | 25.8° |
| N2 | C14 | C13 | H141 | 120.0° | 119.1° |
| N2 | C14 | C13 | H142 | 121.9° | 118.9° |
| N2 | C14 | H141 | H142 | 122.1° | 122.0° |
| N2 | C14 | C13 | H131 | 144.2° | 92.4° |
| N2 | C14 | C13 | H132 | 97.5° | 143.8° |
| O3 | C50 | C12 | C13 | 160.6° | 163.8° |
| O3 | C50 | C12 | N1 | 39.3° | 77.5° |
| O3 | C50 | C12 | H12 | 77.6° | 45.1° |
| C50 | C12 | C13 | N1 | 120.3° | 118.7° |
| C50 | C12 | C13 | H12 | 122.8° | 118.6° |
| C50 | C12 | N1 | H12 | 123.0° | 122.6° |
| C50 | C12 | C13 | C14 | 26.3° | 25.0° |
| C50 | C12 | N1 | S1 | 115.0° | 96.5° |
| C50 | C12 | C13 | H131 | 146.3° | 93.3° |
| C50 | C12 | C13 | H132 | 95.5° | 143.0° |
| C50 | C12 | N1 | H1 | 5.0° | 83.6° |
| C13 | C12 | N1 | H12 | 122.1° | 122.6° |
| C12 | C13 | C14 | H131 | 120.0° | 118.1° |
| C12 | C13 | C14 | H132 | 121.7° | 118.1° |
| C13 | C12 | N1 | S1 | 130.1° | 148.7° |
| C12 | C13 | C14 | H141 | 144.2° | 93.3° |
| C12 | C13 | C14 | H142 | 97.7° | 144.7° |
| C12 | C13 | H131 | H132 | 121.9° | 123.9° |
| C13 | C12 | N1 | H1 | 109.9° | 31.2° |
| N1 | C12 | C13 | C14 | 146.6° | 93.7° |
| C12 | N1 | S1 | H1 | 120.0° | 180.0° |
| C12 | N1 | S1 | O2 | 174.5° | 178.5° |
| C12 | N1 | S1 | O1 | 56.2° | 48.5° |
| C12 | N1 | S1 | C6 | 63.0° | 65.0° |
| N1 | C12 | C13 | H131 | 93.4° | 148.0° |
| N1 | C12 | C13 | H132 | 24.9° | 24.2° |
| C13 | C14 | H141 | H142 | 122.0° | 121.9° |
| C14 | C13 | C12 | H12 | 96.5° | 143.6° |
| C14 | C13 | H131 | H132 | 121.9° | 123.8° |
| N1 | S1 | O2 | O1 | 124.3° | 123.0° |
| N1 | S1 | O2 | C6 | 114.2° | 114.1° |
| N1 | S1 | O1 | C6 | 120.2° | 114.1° |
| N1 | S1 | C6 | C16 | 72.8° | 90.0° |
| N1 | S1 | C6 | C5 | 108.4° | 90.3° |
| S1 | N1 | C12 | H12 | 8.0° | 26.1° |
| O2 | S1 | O1 | C6 | 120.5° | 122.9° |
| O2 | S1 | C6 | C16 | 36.2° | 23.5° |
| O2 | S1 | C6 | C5 | 142.6° | 156.2° |
| O2 | S1 | N1 | H1 | 54.5° | 1.5° |
| O1 | S1 | C6 | C16 | 165.3° | 156.5° |
| O1 | S1 | C6 | C5 | 13.5° | 23.2° |
| O1 | S1 | N1 | H1 | 176.2° | 131.4° |
| S1 | C6 | C16 | C5 | 178.8° | 179.7° |
| S1 | C6 | C16 | C18 | 178.9° | 180.0° |
| S1 | C6 | C5 | C4 | 179.1° | 179.8° |
| C6 | S1 | N1 | H1 | 57.0° | 115.0° |
| S1 | C6 | C16 | H16 | 1.0° | 0.0° |
| S1 | C6 | C5 | H5 | 0.9° | 0.0° |
| C6 | C16 | C18 | H16 | 180.0° | 180.0° |
| C6 | C16 | C18 | C17 | 0.1° | 0.0° |
| C16 | C6 | C5 | C4 | 0.4° | 0.5° |
| C16 | C6 | C5 | H5 | 179.6° | 179.7° |
| C6 | C16 | C18 | H18 | 179.9° | 180.0° |
| C5 | C6 | C16 | C18 | 0.2° | 0.3° |
| C6 | C5 | C4 | C17 | 0.5° | 0.5° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 179.8° | 179.7° |
| C5 | C6 | C16 | H16 | 179.8° | 179.7° |
| C16 | C18 | C17 | H18 | 180.0° | 180.0° |
| C16 | C18 | C17 | C4 | 0.1° | 0.0° |
| C16 | C18 | C17 | C9 | 179.7° | 180.0° |
| C18 | C17 | C4 | C9 | 179.5° | 180.0° |
| C18 | C17 | C4 | C5 | 0.3° | 0.2° |
| C18 | C17 | C4 | C3 | 179.7° | 180.0° |
| C18 | C17 | C9 | C1 | 179.6° | 180.0° |
| C17 | C18 | C16 | H16 | 179.9° | 180.0° |
| C18 | C17 | C9 | H9 | 0.4° | 0.0° |
| C17 | C4 | C5 | C3 | 179.3° | 179.8° |
| C4 | C17 | C9 | C1 | 0.9° | 0.0° |
| C17 | C4 | C3 | C2 | 0.6° | 0.0° |
| C17 | C4 | C5 | H5 | 179.5° | 179.8° |
| C4 | C17 | C18 | H18 | 179.8° | 180.0° |
| C4 | C17 | C9 | H9 | 179.1° | 180.0° |
| C17 | C4 | C3 | H3 | 179.4° | 180.0° |
| C9 | C17 | C4 | C5 | 179.9° | 179.8° |
| C9 | C17 | C4 | C3 | 0.8° | 0.0° |
| C17 | C9 | C1 | H9 | 180.0° | 180.0° |
| C17 | C9 | C1 | CL1 | 179.7° | 180.0° |
| C17 | C9 | C1 | C2 | 0.8° | 0.1° |
| C9 | C17 | C18 | H18 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 179.9° | 179.8° |
| C5 | C4 | C3 | H3 | 0.1° | 0.2° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C9 | C1 | CL1 | C2 | 179.5° | 179.9° |
| C9 | C1 | C2 | C3 | 0.6° | 0.1° |
| C9 | C1 | C2 | H2 | 179.4° | 180.0° |
| CL1 | C1 | C2 | C3 | 180.0° | 180.0° |
| CL1 | C1 | C9 | H9 | 0.3° | 0.0° |
| CL1 | C1 | C2 | H2 | 0.1° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C9 | H9 | 179.2° | 180.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| H22 | C22 | C26 | H26 | 0.6° | 0.1° |
| H28 | C28 | C7 | H71C | 92.5° | 146.1° |
| H28 | C28 | C7 | H72C | 25.7° | 23.9° |
| H28 | C28 | N4 | H4 | 34.0° | 40.2° |
| H71C | C7 | C11 | H111 | 10.0° | 0.0° |
| H71C | C7 | C11 | H112 | 108.7° | 122.3° |
| H72C | C7 | C11 | H111 | 128.2° | 122.3° |
| H72C | C7 | C11 | H112 | 9.5° | 0.0° |
| H4 | N4 | C8 | H81C | 147.3° | 82.2° |
| H4 | N4 | C8 | H82C | 28.4° | 40.3° |
| H111 | C11 | C8 | H81C | 10.1° | 23.8° |
| H111 | C11 | C8 | H82C | 108.8° | 146.2° |
| H112 | C11 | C8 | H81C | 128.8° | 98.5° |
| H112 | C11 | C8 | H82C | 9.9° | 24.0° |
| H141 | C14 | C13 | H131 | 95.8° | 148.6° |
| H141 | C14 | C13 | H132 | 22.5° | 24.8° |
| H142 | C14 | C13 | H131 | 22.3° | 26.6° |
| H142 | C14 | C13 | H132 | 140.6° | 97.2° |
| H12 | C12 | C13 | H131 | 23.5° | 25.4° |
| H12 | C12 | C13 | H132 | 141.7° | 98.4° |
| H12 | C12 | N1 | H1 | 128.0° | 153.8° |
| H16 | C16 | C18 | H18 | 0.1° | 0.0° |
| H3 | C3 | C2 | H2 | 0.5° | 0.1° |
