237
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C23 | sing | 1.40Å | 1.37Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | C12 | sing | 1.35Å | 1.37Å | |
| N3 | C2 | sing | 1.40Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | CL1 | sing | 1.73Å | 1.73Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | O3 | sing | 1.43Å | 1.42Å | |
| C8 | C11 | sing | 1.54Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | C1 | sing | 1.51Å | 1.57Å | |
| C10 | C9 | sing | 1.55Å | 1.56Å | |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C26 | sing | 1.48Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | S1 | sing | 1.81Å | 1.78Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | F1 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.35Å | 1.38Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.22Å | |
| O3 | C19 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | O5 | doub | 1.42Å | 1.44Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N1 | C1 | 127.9° | 120.0° |
| C23 | N1 | HN1 | 116.0° | 119.9° |
| N1 | C23 | C22 | 122.4° | 119.9° |
| N1 | C23 | C24 | 120.2° | 120.0° |
| C1 | N1 | HN1 | 116.1° | 120.0° |
| N1 | C1 | C10 | 117.0° | 120.0° |
| N1 | C1 | O1 | 124.3° | 120.0° |
| C12 | N3 | C2 | 124.6° | 120.0° |
| C12 | N3 | HN3 | 117.7° | 120.1° |
| N3 | C12 | N2 | 119.4° | 120.0° |
| N3 | C12 | O2 | 121.9° | 120.0° |
| C2 | N3 | HN3 | 117.7° | 119.9° |
| N3 | C2 | C7 | 121.4° | 120.0° |
| N3 | C2 | C3 | 121.8° | 120.0° |
| C3 | C4 | C5 | 118.4° | 120.1° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| C4 | C3 | C2 | 122.5° | 119.9° |
| C4 | C3 | H3 | 118.8° | 120.0° |
| C5 | C4 | H4 | 120.8° | 119.9° |
| C4 | C5 | CL1 | 117.6° | 120.0° |
| C4 | C5 | C6 | 123.1° | 120.1° |
| CL1 | C5 | C6 | 119.3° | 120.0° |
| C5 | C6 | C7 | 116.6° | 120.1° |
| C5 | C6 | H6 | 121.7° | 119.9° |
| C7 | C6 | H6 | 121.7° | 120.0° |
| C6 | C7 | C2 | 122.7° | 119.9° |
| C6 | C7 | H7 | 118.7° | 120.1° |
| C2 | C7 | H7 | 118.6° | 120.0° |
| C7 | C2 | C3 | 116.8° | 119.9° |
| C9 | C8 | O3 | 111.4° | 110.7° |
| C9 | C8 | C11 | 102.6° | 102.9° |
| C9 | C8 | H8 | 111.7° | 110.8° |
| C8 | C9 | C10 | 104.3° | 101.6° |
| C8 | C9 | H91 | 111.3° | 111.0° |
| C8 | C9 | H92 | 112.4° | 111.0° |
| O3 | C8 | C11 | 106.3° | 110.7° |
| O3 | C8 | H8 | 108.3° | 110.7° |
| C8 | O3 | C19 | 117.1° | 114.0° |
| C11 | C8 | H8 | 116.4° | 110.8° |
| C8 | C11 | N2 | 102.5° | 107.3° |
| C8 | C11 | H111 | 111.9° | 109.9° |
| C8 | C11 | H112 | 113.3° | 109.9° |
| C1 | C10 | C9 | 112.7° | 110.4° |
| C1 | C10 | N2 | 118.7° | 110.4° |
| C1 | C10 | H10 | 98.4° | 110.4° |
| C10 | C1 | O1 | 118.6° | 120.0° |
| C9 | C10 | N2 | 101.9° | 104.8° |
| C9 | C10 | H10 | 116.2° | 110.4° |
| C10 | C9 | H91 | 111.2° | 111.0° |
| C10 | C9 | H92 | 112.3° | 111.0° |
| N2 | C10 | H10 | 109.8° | 110.4° |
| C10 | N2 | C12 | 119.5° | 125.6° |
| C10 | N2 | C11 | 112.9° | 108.7° |
| C18 | C13 | C14 | 116.9° | 119.8° |
| C18 | C13 | C26 | 125.5° | 120.1° |
| C13 | C18 | C17 | 119.4° | 119.9° |
| C13 | C18 | S1 | 122.8° | 120.1° |
| C14 | C13 | C26 | 117.6° | 120.1° |
| C13 | C14 | C15 | 123.7° | 119.9° |
| C13 | C14 | H14 | 118.2° | 120.1° |
| C13 | C26 | C27 | 119.7° | 120.0° |
| C13 | C26 | C25 | 122.7° | 120.1° |
| C16 | C15 | C14 | 118.7° | 120.2° |
| C16 | C15 | H15 | 120.6° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.2° |
| C15 | C16 | H16 | 120.3° | 119.9° |
| C14 | C15 | H15 | 120.6° | 119.9° |
| C15 | C14 | H14 | 118.1° | 120.1° |
| C16 | C17 | C18 | 121.9° | 120.1° |
| C16 | C17 | H17 | 119.1° | 119.9° |
| C17 | C16 | H16 | 120.3° | 119.9° |
| C18 | C17 | H17 | 119.1° | 119.9° |
| C17 | C18 | S1 | 117.9° | 120.1° |
| S1 | C20 | H201 | 109.5° | 109.4° |
| S1 | C20 | H202 | 109.5° | 109.5° |
| S1 | C20 | H203 | 109.4° | 109.4° |
| C20 | S1 | C18 | 111.7° | 104.5° |
| C20 | S1 | O4 | 105.1° | 110.6° |
| C20 | S1 | O5 | 104.4° | 110.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C27 | C22 | C23 | 121.2° | 120.1° |
| C27 | C22 | H22 | 119.4° | 120.0° |
| C22 | C27 | C26 | 121.3° | 120.0° |
| C22 | C27 | H27 | 119.4° | 120.0° |
| C23 | C22 | H22 | 119.4° | 120.0° |
| C22 | C23 | C24 | 117.4° | 120.0° |
| C25 | C24 | C23 | 121.5° | 120.0° |
| C25 | C24 | F1 | 117.5° | 120.0° |
| C24 | C25 | C26 | 121.1° | 119.9° |
| C24 | C25 | H25 | 119.5° | 120.0° |
| C23 | C24 | F1 | 121.0° | 119.9° |
| C27 | C26 | C25 | 117.6° | 119.9° |
| C26 | C27 | H27 | 119.4° | 120.0° |
| C26 | C25 | H25 | 119.5° | 120.0° |
| C2 | C3 | H3 | 118.8° | 120.1° |
| H91 | C9 | H92 | 105.5° | 110.9° |
| C12 | N2 | C11 | 126.4° | 125.7° |
| N2 | C12 | O2 | 118.7° | 120.0° |
| N2 | C11 | H111 | 111.9° | 109.9° |
| N2 | C11 | H112 | 113.3° | 109.9° |
| H111 | C11 | H112 | 104.2° | 110.0° |
| O3 | C19 | H191 | 109.5° | 109.5° |
| O3 | C19 | H192 | 109.5° | 109.5° |
| O3 | C19 | H193 | 109.5° | 109.5° |
| C18 | S1 | O4 | 107.0° | 104.3° |
| C18 | S1 | O5 | 109.7° | 104.3° |
| O4 | S1 | O5 | 118.9° | 121.1° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N1 | C1 | HN1 | 180.0° | 179.7° |
| C23 | N1 | C1 | C10 | 175.4° | 176.3° |
| N1 | C23 | C22 | C27 | 179.5° | 179.9° |
| N1 | C23 | C22 | C24 | 179.8° | 179.9° |
| N1 | C23 | C22 | H22 | 0.5° | 0.3° |
| N1 | C23 | C24 | C25 | 179.3° | 180.0° |
| N1 | C23 | C24 | F1 | 0.4° | 0.1° |
| C23 | N1 | C1 | O1 | 2.8° | 3.7° |
| N1 | C1 | C10 | O1 | 178.3° | 179.9° |
| N1 | C1 | C10 | C9 | 97.3° | 80.0° |
| N1 | C1 | C10 | N2 | 21.5° | 164.6° |
| N1 | C1 | C10 | H10 | 139.6° | 42.2° |
| C1 | N1 | C23 | C22 | 43.9° | 31.7° |
| C1 | N1 | C23 | C24 | 136.3° | 148.3° |
| HN1 | N1 | C1 | C10 | 4.6° | 3.4° |
| HN1 | N1 | C23 | C22 | 136.1° | 148.6° |
| HN1 | N1 | C23 | C24 | 43.7° | 31.5° |
| HN1 | N1 | C1 | O1 | 177.2° | 176.5° |
| C12 | N3 | C2 | HN3 | 180.0° | 180.0° |
| C12 | N3 | C2 | C7 | 135.6° | 37.1° |
| N3 | C12 | N2 | C10 | 158.1° | 180.0° |
| C12 | N3 | C2 | C3 | 44.2° | 142.9° |
| N3 | C12 | N2 | O2 | 179.3° | 180.0° |
| N3 | C12 | N2 | C11 | 8.3° | 0.0° |
| N3 | C2 | C3 | C4 | 179.3° | 179.9° |
| N3 | C2 | C7 | C6 | 178.8° | 180.0° |
| N3 | C2 | C7 | C3 | 179.8° | 180.0° |
| N3 | C2 | C7 | H7 | 1.2° | 0.0° |
| N3 | C2 | C3 | H3 | 0.8° | 0.0° |
| C2 | N3 | C12 | N2 | 155.7° | 172.4° |
| C2 | N3 | C12 | O2 | 25.0° | 7.6° |
| HN3 | N3 | C2 | C7 | 44.4° | 142.9° |
| HN3 | N3 | C2 | C3 | 135.8° | 37.1° |
| HN3 | N3 | C12 | N2 | 24.3° | 7.6° |
| HN3 | N3 | C12 | O2 | 155.0° | 172.4° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | CL1 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C4 | C3 | C2 | C7 | 0.5° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C5 | CL1 | C6 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.1° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| H4 | C4 | C5 | CL1 | 0.8° | 0.3° |
| H4 | C4 | C5 | C6 | 179.0° | 179.7° |
| H4 | C4 | C3 | C2 | 179.6° | 179.7° |
| H4 | C4 | C3 | H3 | 0.4° | 0.3° |
| CL1 | C5 | C6 | C7 | 179.6° | 180.0° |
| CL1 | C5 | C6 | H6 | 0.4° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.4° | 0.1° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 1.0° | 0.0° |
| H6 | C6 | C7 | C2 | 179.6° | 179.9° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| C7 | C2 | C3 | H3 | 179.5° | 180.0° |
| H7 | C7 | C2 | C3 | 179.0° | 180.0° |
| C9 | C8 | O3 | C11 | 111.0° | 113.5° |
| C9 | C8 | O3 | H8 | 123.2° | 123.2° |
| C9 | C8 | C11 | H8 | 122.2° | 118.5° |
| C8 | C9 | C10 | C1 | 102.5° | 155.8° |
| C8 | C9 | C10 | H91 | 120.0° | 118.1° |
| C8 | C9 | C10 | H92 | 121.9° | 118.1° |
| C8 | C9 | C10 | N2 | 25.7° | 37.0° |
| C8 | C9 | C10 | H10 | 145.0° | 81.9° |
| C8 | C9 | H91 | H92 | 122.1° | 123.9° |
| C9 | C8 | C11 | N2 | 36.4° | 22.2° |
| C9 | C8 | C11 | H111 | 83.6° | 141.6° |
| C9 | C8 | C11 | H112 | 158.9° | 97.2° |
| C9 | C8 | O3 | C19 | 82.9° | 150.0° |
| O3 | C8 | C11 | H8 | 120.7° | 123.2° |
| O3 | C8 | C9 | C10 | 74.2° | 153.8° |
| O3 | C8 | C9 | H91 | 45.8° | 35.7° |
| O3 | C8 | C9 | H92 | 163.9° | 88.1° |
| O3 | C8 | C11 | N2 | 80.7° | 140.6° |
| O3 | C8 | C11 | H111 | 159.3° | 100.0° |
| O3 | C8 | C11 | H112 | 41.9° | 21.2° |
| C8 | O3 | C19 | H191 | 72.1° | 59.9° |
| C8 | O3 | C19 | H192 | 47.9° | 180.0° |
| C8 | O3 | C19 | H193 | 167.9° | 60.0° |
| C11 | C8 | C9 | C10 | 39.1° | 35.5° |
| C8 | C11 | N2 | C10 | 21.3° | 1.0° |
| C11 | C8 | C9 | H91 | 159.1° | 82.6° |
| C11 | C8 | C9 | H92 | 82.8° | 153.6° |
| C8 | C11 | N2 | C12 | 171.5° | 178.9° |
| C8 | C11 | N2 | H111 | 120.0° | 119.4° |
| C8 | C11 | N2 | H112 | 122.5° | 119.4° |
| C8 | C11 | H111 | H112 | 122.8° | 121.1° |
| C11 | C8 | O3 | C19 | 166.1° | 96.5° |
| H8 | C8 | C9 | C10 | 164.5° | 83.0° |
| H8 | C8 | C9 | H91 | 75.5° | 158.9° |
| H8 | C8 | C9 | H92 | 42.6° | 35.1° |
| H8 | C8 | C11 | N2 | 158.6° | 96.3° |
| H8 | C8 | C11 | H111 | 38.6° | 23.1° |
| H8 | C8 | C11 | H112 | 78.8° | 144.3° |
| H8 | C8 | O3 | C19 | 40.4° | 26.8° |
| C1 | C10 | C9 | N2 | 128.3° | 118.8° |
| C1 | C10 | C9 | H10 | 112.4° | 122.3° |
| C1 | C10 | N2 | H10 | 111.9° | 122.3° |
| C1 | C10 | C9 | H91 | 17.5° | 37.7° |
| C1 | C10 | C9 | H92 | 135.5° | 86.1° |
| C1 | C10 | N2 | C12 | 70.2° | 37.0° |
| C1 | C10 | N2 | C11 | 121.6° | 142.9° |
| C9 | C10 | N2 | H10 | 123.7° | 118.9° |
| C9 | C10 | C1 | O1 | 84.4° | 100.0° |
| C10 | C9 | H91 | H92 | 122.1° | 123.9° |
| C9 | C10 | N2 | C12 | 165.4° | 155.9° |
| C9 | C10 | N2 | C11 | 2.8° | 24.1° |
| N2 | C10 | C1 | O1 | 156.7° | 15.4° |
| N2 | C10 | C9 | H91 | 145.8° | 81.1° |
| N2 | C10 | C9 | H92 | 96.2° | 155.1° |
| C10 | N2 | C12 | C11 | 166.5° | 179.9° |
| C10 | N2 | C11 | H111 | 98.7° | 118.4° |
| C10 | N2 | C11 | H112 | 143.8° | 120.5° |
| C10 | N2 | C12 | O2 | 21.2° | 0.0° |
| H10 | C10 | C1 | O1 | 38.6° | 137.7° |
| H10 | C10 | C9 | H91 | 94.9° | 160.0° |
| H10 | C10 | C9 | H92 | 23.1° | 36.2° |
| H10 | C10 | N2 | C12 | 41.7° | 85.3° |
| H10 | C10 | N2 | C11 | 126.5° | 94.8° |
| C18 | C13 | C14 | C26 | 178.9° | 179.7° |
| C18 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C18 | C17 | C16 | 0.6° | 0.1° |
| C13 | C18 | C17 | S1 | 179.3° | 180.0° |
| C13 | C18 | C17 | H17 | 179.4° | 180.0° |
| C13 | C18 | S1 | C20 | 169.9° | 62.4° |
| C18 | C13 | C26 | C27 | 97.2° | 116.9° |
| C18 | C13 | C26 | C25 | 82.7° | 63.1° |
| C18 | C13 | C14 | H14 | 179.7° | 180.0° |
| C13 | C18 | S1 | O4 | 75.6° | 178.5° |
| C13 | C18 | S1 | O5 | 54.6° | 53.6° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.0° |
| C14 | C13 | C26 | C27 | 81.5° | 62.8° |
| C14 | C13 | C26 | C25 | 98.6° | 117.2° |
| C14 | C13 | C18 | S1 | 179.4° | 180.0° |
| C26 | C13 | C14 | C15 | 179.1° | 179.7° |
| C26 | C13 | C18 | C17 | 178.6° | 179.8° |
| C13 | C26 | C27 | C22 | 179.5° | 180.0° |
| C13 | C26 | C25 | C24 | 179.3° | 180.0° |
| C13 | C26 | C27 | C25 | 179.9° | 180.0° |
| C26 | C13 | C14 | H14 | 0.9° | 0.3° |
| C26 | C13 | C18 | S1 | 0.7° | 0.3° |
| C13 | C26 | C25 | H25 | 0.7° | 0.0° |
| C13 | C26 | C27 | H27 | 0.5° | 0.1° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C14 | H14 | 0.3° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | S1 | 179.9° | 180.0° |
| C17 | C18 | S1 | C20 | 10.8° | 117.6° |
| C18 | C17 | C16 | H16 | 179.4° | 180.0° |
| C17 | C18 | S1 | O4 | 103.7° | 1.5° |
| C17 | C18 | S1 | O5 | 126.1° | 126.3° |
| H17 | C17 | C16 | H16 | 0.6° | 0.1° |
| H17 | C17 | C18 | S1 | 0.1° | 0.0° |
| S1 | C20 | H201 | H202 | 120.0° | 120.0° |
| S1 | C20 | H201 | H203 | 120.0° | 119.9° |
| S1 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | S1 | C18 | O4 | 114.5° | 116.1° |
| C20 | S1 | C18 | O5 | 115.3° | 116.1° |
| C20 | S1 | O4 | O5 | 116.3° | 131.5° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H201 | C20 | S1 | C18 | 110.2° | 60.0° |
| H201 | C20 | S1 | O4 | 5.4° | 171.6° |
| H201 | C20 | S1 | O5 | 131.3° | 51.7° |
| H202 | C20 | S1 | C18 | 9.8° | 180.0° |
| H202 | C20 | S1 | O4 | 125.4° | 68.4° |
| H202 | C20 | S1 | O5 | 108.7° | 68.4° |
| H203 | C20 | S1 | C18 | 129.8° | 60.0° |
| H203 | C20 | S1 | O4 | 114.5° | 51.6° |
| H203 | C20 | S1 | O5 | 11.3° | 171.6° |
| C27 | C22 | C23 | H22 | 180.0° | 179.8° |
| C27 | C22 | C23 | C24 | 0.7° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 179.9° |
| C22 | C27 | C26 | C25 | 0.6° | 0.0° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C22 | C23 | C24 | F1 | 179.8° | 180.0° |
| C23 | C22 | C27 | C26 | 1.3° | 0.0° |
| C23 | C22 | C27 | H27 | 178.8° | 180.0° |
| H22 | C22 | C23 | C24 | 179.3° | 179.8° |
| H22 | C22 | C27 | C26 | 178.8° | 179.7° |
| H22 | C22 | C27 | H27 | 1.2° | 0.2° |
| C25 | C24 | C23 | F1 | 179.7° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.2° | 0.0° |
| C23 | C24 | C25 | H25 | 178.8° | 180.0° |
| F1 | C24 | C25 | C26 | 179.1° | 180.0° |
| F1 | C24 | C25 | H25 | 0.9° | 0.0° |
| C27 | C26 | C25 | H25 | 179.4° | 180.0° |
| C25 | C26 | C27 | H27 | 179.4° | 179.9° |
| C12 | N2 | C11 | H111 | 68.5° | 61.7° |
| C12 | N2 | C11 | H112 | 48.9° | 59.5° |
| N2 | C11 | H111 | H112 | 122.8° | 121.1° |
| C11 | N2 | C12 | O2 | 172.4° | 179.9° |
| O3 | C19 | H191 | H192 | 120.0° | 120.1° |
| O3 | C19 | H191 | H193 | 120.0° | 120.0° |
| O3 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | S1 | O4 | O5 | 124.8° | 116.7° |
| H191 | C19 | H192 | H193 | 120.0° | 119.9° |
