Q2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| F | S1 | sing | 1.61Å | 1.55Å | |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| S1 | C23 | sing | 1.76Å | 1.60Å | |
| I | C10 | sing | 2.09Å | 2.14Å | |
| S | C5 | sing | 1.76Å | 1.70Å | |
| S | C4 | sing | 1.76Å | 1.74Å | |
| C10 | C5 | doub | 1.39Å | 1.50Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.37Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C3 | sing | 1.39Å | 1.36Å | |
| C24 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | O1 | sing | 1.37Å | 1.37Å | |
| C7 | O | sing | 1.37Å | 1.37Å | |
| C2 | C3 | doub | 1.40Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.47Å | Aromatic |
| C3 | N | sing | 1.33Å | 1.35Å | Aromatic |
| N2 | C1 | sing | 1.38Å | 1.33Å | Aromatic |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| O1 | C11 | sing | 1.44Å | 1.44Å | |
| C13 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| N5 | C17 | sing | 1.47Å | 1.48Å | |
| N5 | C16 | sing | 1.47Å | 1.47Å | |
| N5 | C18 | sing | 1.47Å | 1.48Å | |
| O | C11 | sing | 1.44Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | F | 109.2° | 106.4° |
| O2 | S1 | O3 | 109.2° | 123.2° |
| O2 | S1 | C23 | 109.5° | 106.4° |
| F | S1 | O3 | 109.1° | 106.4° |
| F | S1 | C23 | 110.3° | 107.2° |
| O3 | S1 | C23 | 109.4° | 106.4° |
| S1 | C23 | C24 | 120.4° | 120.0° |
| S1 | C23 | C22 | 119.5° | 120.0° |
| I | C10 | C5 | 123.1° | 120.0° |
| I | C10 | C9 | 118.9° | 120.0° |
| C5 | S | C4 | 105.4° | 100.0° |
| S | C5 | C10 | 118.9° | 120.0° |
| S | C5 | C6 | 120.0° | 120.0° |
| S | C4 | N3 | 122.5° | 125.2° |
| S | C4 | N2 | 120.1° | 125.1° |
| C5 | C10 | C9 | 118.0° | 120.0° |
| C10 | C5 | C6 | 121.1° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.2° |
| C10 | C9 | H9 | 120.2° | 119.9° |
| C5 | C6 | C7 | 118.9° | 120.0° |
| C5 | C6 | H6 | 120.6° | 120.0° |
| C4 | N3 | C2 | 102.1° | 109.4° |
| N3 | C4 | N2 | 117.4° | 109.7° |
| N3 | C2 | C3 | 133.5° | 134.5° |
| N3 | C2 | C1 | 109.6° | 107.3° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C23 | C24 | C19 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C4 | N2 | C1 | 104.5° | 107.4° |
| C4 | N2 | C12 | 129.1° | 126.3° |
| C9 | C8 | C7 | 122.1° | 119.9° |
| C9 | C8 | O1 | 131.0° | 131.5° |
| C8 | C9 | H9 | 120.2° | 119.9° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C6 | C7 | O | 129.9° | 131.5° |
| C7 | C6 | H6 | 120.6° | 120.0° |
| N4 | C3 | C2 | 122.1° | 120.7° |
| N4 | C3 | N | 121.1° | 120.8° |
| C3 | N4 | HN42 | 109.5° | 120.1° |
| C3 | N4 | HN41 | 109.5° | 120.0° |
| C24 | C19 | C18 | 120.5° | 120.0° |
| C24 | C19 | C20 | 119.3° | 120.0° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.9° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.1° |
| C7 | C8 | O1 | 106.9° | 108.6° |
| C8 | C7 | O | 109.9° | 108.6° |
| C8 | O1 | C11 | 109.6° | 105.5° |
| C7 | O | C11 | 107.2° | 105.5° |
| C3 | C2 | C1 | 117.0° | 118.2° |
| C2 | C3 | N | 116.9° | 118.5° |
| C2 | C1 | N2 | 106.5° | 106.2° |
| C2 | C1 | N1 | 120.5° | 119.1° |
| C3 | N | C | 122.9° | 121.2° |
| C1 | N2 | C12 | 126.4° | 126.3° |
| N2 | C1 | N1 | 133.0° | 134.8° |
| N2 | C12 | C13 | 112.2° | 109.5° |
| N2 | C12 | H121 | 108.8° | 109.4° |
| N2 | C12 | H122 | 108.8° | 109.5° |
| O1 | C11 | O | 105.8° | 103.9° |
| O1 | C11 | H111 | 110.4° | 110.2° |
| O1 | C11 | H112 | 110.4° | 110.9° |
| C17 | C13 | C14 | 110.9° | 109.3° |
| C17 | C13 | C12 | 110.4° | 109.5° |
| C13 | C17 | N5 | 114.0° | 109.5° |
| C17 | C13 | H13 | 108.3° | 109.5° |
| C13 | C17 | H172 | 108.3° | 109.5° |
| C13 | C17 | H171 | 108.3° | 109.5° |
| C14 | C13 | C12 | 110.4° | 109.5° |
| C13 | C14 | C15 | 109.7° | 109.1° |
| C14 | C13 | H13 | 108.4° | 109.5° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.6° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C17 | N5 | C16 | 111.7° | 111.2° |
| C17 | N5 | C18 | 107.6° | 111.1° |
| N5 | C17 | H172 | 108.3° | 109.4° |
| N5 | C17 | H171 | 108.3° | 109.4° |
| C16 | N5 | C18 | 109.7° | 111.0° |
| N5 | C16 | C15 | 110.4° | 109.5° |
| N5 | C16 | H162 | 109.2° | 109.5° |
| N5 | C16 | H161 | 109.2° | 109.5° |
| N5 | C18 | C19 | 114.9° | 109.5° |
| N5 | C18 | H181 | 108.1° | 109.5° |
| N5 | C18 | H182 | 108.1° | 109.5° |
| O | C11 | H111 | 110.4° | 110.6° |
| O | C11 | H112 | 110.4° | 110.6° |
| C14 | C15 | C16 | 109.8° | 109.3° |
| C15 | C14 | H142 | 109.4° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.5° |
| C14 | C15 | H151 | 109.4° | 109.5° |
| C14 | C15 | H152 | 109.4° | 109.5° |
| C16 | C15 | H151 | 109.4° | 109.4° |
| C16 | C15 | H152 | 109.4° | 109.5° |
| C15 | C16 | H162 | 109.2° | 109.5° |
| C15 | C16 | H161 | 109.2° | 109.4° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H181 | 108.1° | 109.5° |
| C19 | C18 | H182 | 108.1° | 109.5° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C1 | N1 | C | 119.4° | 120.7° |
| C21 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| N | C | N1 | 123.3° | 122.4° |
| N | C | H | 118.3° | 118.8° |
| N1 | C | H | 118.3° | 118.8° |
| H111 | C11 | H112 | 109.5° | 110.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| HN42 | N4 | HN41 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | F | O3 | 119.4° | 132.9° |
| O2 | S1 | F | C23 | 120.4° | 113.6° |
| O2 | S1 | O3 | C23 | 119.8° | 123.0° |
| O2 | S1 | C23 | C24 | 95.2° | 156.5° |
| O2 | S1 | C23 | C22 | 84.4° | 23.0° |
| F | S1 | O3 | C23 | 120.8° | 114.1° |
| F | S1 | C23 | C24 | 25.1° | 90.0° |
| F | S1 | C23 | C22 | 155.4° | 90.6° |
| O3 | S1 | C23 | C24 | 145.1° | 23.5° |
| O3 | S1 | C23 | C22 | 35.3° | 155.9° |
| S1 | C23 | C24 | C22 | 179.6° | 179.4° |
| S1 | C23 | C24 | C19 | 179.5° | 180.0° |
| S1 | C23 | C22 | C21 | 179.9° | 179.7° |
| S1 | C23 | C22 | H22 | 0.1° | 0.3° |
| S1 | C23 | C24 | H24 | 0.4° | 0.6° |
| I | C10 | C5 | S | 1.7° | 0.2° |
| I | C10 | C5 | C9 | 179.6° | 179.8° |
| I | C10 | C5 | C6 | 180.0° | 180.0° |
| I | C10 | C9 | C8 | 179.6° | 180.0° |
| I | C10 | C9 | H9 | 0.4° | 0.0° |
| S | C5 | C10 | C6 | 178.2° | 179.8° |
| S | C5 | C10 | C9 | 178.7° | 180.0° |
| C5 | S | C4 | N3 | 104.3° | 4.9° |
| C5 | S | C4 | N2 | 74.7° | 174.8° |
| S | C5 | C6 | C7 | 177.8° | 179.8° |
| S | C5 | C6 | H6 | 2.1° | 0.2° |
| C4 | S | C5 | C10 | 143.8° | 76.7° |
| C4 | S | C5 | C6 | 38.0° | 103.5° |
| S | C4 | N3 | N2 | 179.0° | 179.7° |
| S | C4 | N3 | C2 | 179.9° | 179.8° |
| S | C4 | N2 | C1 | 179.7° | 180.0° |
| S | C4 | N2 | C12 | 0.4° | 0.2° |
| C5 | C10 | C9 | C8 | 0.8° | 0.2° |
| C10 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C10 | C9 | H9 | 179.2° | 179.8° |
| C10 | C5 | C6 | H6 | 179.7° | 180.0° |
| C9 | C10 | C5 | C6 | 0.5° | 0.2° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | O1 | 179.4° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.8° | 0.3° |
| C5 | C6 | C7 | O | 179.1° | 179.9° |
| C4 | N3 | C2 | C3 | 178.6° | 179.9° |
| C4 | N3 | C2 | C1 | 0.7° | 0.1° |
| N3 | C4 | N2 | C1 | 0.7° | 0.2° |
| N3 | C4 | N2 | C12 | 178.6° | 180.0° |
| C2 | N3 | C4 | N2 | 0.9° | 0.1° |
| N3 | C2 | C3 | N4 | 0.2° | 0.0° |
| N3 | C2 | C3 | C1 | 179.2° | 180.0° |
| N3 | C2 | C3 | N | 179.6° | 179.9° |
| N3 | C2 | C1 | N2 | 0.3° | 0.2° |
| N3 | C2 | C1 | N1 | 179.0° | 180.0° |
| C23 | C24 | C19 | H24 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 0.3° | 0.3° |
| C23 | C24 | C19 | C18 | 179.3° | 179.7° |
| C23 | C24 | C19 | C20 | 0.6° | 0.6° |
| C24 | C23 | C22 | H22 | 179.7° | 179.8° |
| C22 | C23 | C24 | C19 | 0.0° | 0.6° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H21 | 180.0° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C4 | N2 | C1 | C2 | 0.2° | 0.3° |
| C4 | N2 | C1 | C12 | 179.3° | 179.8° |
| C4 | N2 | C12 | C13 | 79.0° | 90.0° |
| C4 | N2 | C1 | N1 | 179.3° | 180.0° |
| C4 | N2 | C12 | H121 | 41.4° | 30.0° |
| C4 | N2 | C12 | H122 | 160.5° | 150.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.2° |
| C9 | C8 | C7 | O1 | 179.7° | 180.0° |
| C9 | C8 | C7 | O | 179.1° | 180.0° |
| C9 | C8 | O1 | C11 | 175.4° | 162.9° |
| C6 | C7 | C8 | O | 178.6° | 179.7° |
| C6 | C7 | C8 | O1 | 179.7° | 179.7° |
| C6 | C7 | O | C11 | 175.7° | 162.7° |
| N4 | C3 | C2 | N | 179.7° | 180.0° |
| N4 | C3 | C2 | C1 | 179.1° | 180.0° |
| N4 | C3 | N | C | 179.5° | 179.9° |
| C3 | N4 | HN42 | HN41 | 120.0° | 180.0° |
| C24 | C19 | C18 | N5 | 89.6° | 90.2° |
| C24 | C19 | C18 | C20 | 178.7° | 179.8° |
| C24 | C19 | C20 | C21 | 0.9° | 0.3° |
| C24 | C19 | C18 | H181 | 31.2° | 29.8° |
| C24 | C19 | C18 | H182 | 149.6° | 149.7° |
| C24 | C19 | C20 | H20 | 179.2° | 179.8° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | H20 | 179.5° | 180.0° |
| C7 | C8 | O1 | C11 | 4.3° | 17.0° |
| C8 | C7 | O | C11 | 5.9° | 17.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C6 | H6 | 179.2° | 179.8° |
| O1 | C8 | C7 | O | 1.1° | 0.0° |
| C8 | O1 | C11 | O | 7.7° | 26.8° |
| O1 | C8 | C9 | H9 | 0.6° | 0.0° |
| C8 | O1 | C11 | H111 | 127.1° | 91.7° |
| C8 | O1 | C11 | H112 | 111.7° | 145.6° |
| C7 | O | C11 | O1 | 8.3° | 26.8° |
| C7 | O | C11 | H111 | 127.7° | 91.4° |
| C7 | O | C11 | H112 | 111.2° | 145.9° |
| O | C7 | C6 | H6 | 0.9° | 0.1° |
| C3 | C2 | C1 | N2 | 179.1° | 179.8° |
| C3 | C2 | C1 | N1 | 1.6° | 0.0° |
| C2 | C3 | N | C | 0.8° | 0.1° |
| C2 | C3 | N4 | HN42 | 179.7° | 0.0° |
| C2 | C3 | N4 | HN41 | 59.7° | 180.0° |
| C1 | C2 | C3 | N | 1.2° | 0.0° |
| C2 | C1 | N2 | N1 | 179.2° | 179.7° |
| C2 | C1 | N2 | C12 | 179.2° | 179.9° |
| C2 | C1 | N1 | C | 1.5° | 0.0° |
| C3 | N | C | N1 | 0.7° | 0.1° |
| C3 | N | C | H | 179.4° | 180.0° |
| N | C3 | N4 | HN42 | 0.0° | 180.0° |
| N | C3 | N4 | HN41 | 120.0° | 0.0° |
| C1 | N2 | C12 | C13 | 101.8° | 89.8° |
| N2 | C1 | N1 | C | 179.4° | 179.7° |
| C1 | N2 | C12 | H121 | 137.8° | 150.3° |
| C1 | N2 | C12 | H122 | 18.6° | 30.2° |
| N2 | C12 | C13 | C17 | 163.7° | 175.0° |
| N2 | C12 | C13 | C14 | 73.4° | 65.1° |
| N2 | C12 | C13 | H121 | 120.4° | 119.9° |
| N2 | C12 | C13 | H122 | 120.4° | 120.0° |
| C12 | N2 | C1 | N1 | 0.0° | 0.2° |
| N2 | C12 | H121 | H122 | 118.7° | 120.0° |
| N2 | C12 | C13 | H13 | 45.3° | 54.9° |
| O1 | C11 | O | H111 | 119.4° | 118.2° |
| O1 | C11 | O | H112 | 119.4° | 119.1° |
| O1 | C11 | H111 | H112 | 121.7° | 122.9° |
| C17 | C13 | C14 | C12 | 122.6° | 120.0° |
| C17 | C13 | C14 | H13 | 118.7° | 120.0° |
| C17 | C13 | C12 | H13 | 118.4° | 120.1° |
| C13 | C17 | N5 | H172 | 120.7° | 120.0° |
| C13 | C17 | N5 | H171 | 120.7° | 120.0° |
| C13 | C17 | N5 | C16 | 52.6° | 61.7° |
| C13 | C17 | N5 | C18 | 173.1° | 174.2° |
| C17 | C13 | C14 | C15 | 52.5° | 57.7° |
| C17 | C13 | C12 | H121 | 43.3° | 65.0° |
| C17 | C13 | C12 | H122 | 75.9° | 55.0° |
| C17 | C13 | C14 | H142 | 67.5° | 62.2° |
| C17 | C13 | C14 | H141 | 172.5° | 177.6° |
| C13 | C17 | H172 | H171 | 117.9° | 120.0° |
| C14 | C13 | C12 | H13 | 118.6° | 120.0° |
| C14 | C13 | C17 | N5 | 50.1° | 59.2° |
| C13 | C14 | C15 | H142 | 120.0° | 119.8° |
| C13 | C14 | C15 | H141 | 120.0° | 119.9° |
| C13 | C14 | C15 | C16 | 58.8° | 57.7° |
| C14 | C13 | C12 | H121 | 166.2° | 54.8° |
| C14 | C13 | C12 | H122 | 47.0° | 174.8° |
| C13 | C14 | H142 | H141 | 119.9° | 120.2° |
| C13 | C14 | C15 | H151 | 178.8° | 177.5° |
| C13 | C14 | C15 | H152 | 61.3° | 62.3° |
| C14 | C13 | C17 | H172 | 170.7° | 179.2° |
| C14 | C13 | C17 | H171 | 70.6° | 60.8° |
| C12 | C13 | C17 | N5 | 172.7° | 179.1° |
| C12 | C13 | C14 | C15 | 175.2° | 177.6° |
| C13 | C12 | H121 | H122 | 118.8° | 120.0° |
| C12 | C13 | C14 | H142 | 55.2° | 57.8° |
| C12 | C13 | C14 | H141 | 64.8° | 62.4° |
| C12 | C13 | C17 | H172 | 66.6° | 60.9° |
| C12 | C13 | C17 | H171 | 52.1° | 59.1° |
| C17 | N5 | C16 | C18 | 119.2° | 124.2° |
| C17 | N5 | C16 | C15 | 57.7° | 61.7° |
| C17 | N5 | C18 | C19 | 171.2° | 170.0° |
| N5 | C17 | C13 | H13 | 68.7° | 60.8° |
| C17 | N5 | C16 | H162 | 177.8° | 58.3° |
| C17 | N5 | C16 | H161 | 62.4° | 178.3° |
| N5 | C17 | H172 | H171 | 118.0° | 119.9° |
| C17 | N5 | C18 | H181 | 50.4° | 70.0° |
| C17 | N5 | C18 | H182 | 68.0° | 50.0° |
| N5 | C16 | C15 | C14 | 61.5° | 59.2° |
| N5 | C16 | C15 | H162 | 120.1° | 120.0° |
| N5 | C16 | C15 | H161 | 120.1° | 120.0° |
| C16 | N5 | C18 | C19 | 67.1° | 65.8° |
| N5 | C16 | C15 | H151 | 178.5° | 179.1° |
| N5 | C16 | C15 | H152 | 58.5° | 60.8° |
| N5 | C16 | H162 | H161 | 119.6° | 120.0° |
| C16 | N5 | C17 | H172 | 173.3° | 178.3° |
| C16 | N5 | C17 | H171 | 68.0° | 58.3° |
| C16 | N5 | C18 | H181 | 172.2° | 54.3° |
| C16 | N5 | C18 | H182 | 53.8° | 174.2° |
| C18 | N5 | C16 | C15 | 176.9° | 174.1° |
| N5 | C18 | C19 | H181 | 120.8° | 120.0° |
| N5 | C18 | C19 | H182 | 120.8° | 120.0° |
| N5 | C18 | C19 | C20 | 91.8° | 90.0° |
| C18 | N5 | C16 | H162 | 63.0° | 65.9° |
| C18 | N5 | C16 | H161 | 56.8° | 54.1° |
| C18 | N5 | C17 | H172 | 66.3° | 54.2° |
| C18 | N5 | C17 | H171 | 52.4° | 65.8° |
| N5 | C18 | H181 | H182 | 117.6° | 119.9° |
| O | C11 | H111 | H112 | 121.7° | 122.8° |
| C14 | C15 | C16 | H151 | 120.0° | 119.9° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C15 | C14 | C13 | H13 | 66.2° | 62.3° |
| C15 | C14 | H142 | H141 | 119.9° | 120.2° |
| C14 | C15 | H151 | H152 | 119.8° | 120.1° |
| C14 | C15 | C16 | H162 | 178.4° | 60.8° |
| C14 | C15 | C16 | H161 | 58.7° | 179.2° |
| C16 | C15 | C14 | H142 | 61.2° | 62.2° |
| C16 | C15 | C14 | H141 | 178.8° | 177.6° |
| C16 | C15 | H151 | H152 | 119.9° | 120.1° |
| C15 | C16 | H162 | H161 | 119.5° | 120.0° |
| C18 | C19 | C20 | C21 | 179.5° | 179.9° |
| C19 | C18 | H181 | H182 | 117.5° | 120.0° |
| C18 | C19 | C20 | H20 | 0.5° | 0.0° |
| C18 | C19 | C24 | H24 | 0.7° | 0.2° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H181 | 147.5° | 150.0° |
| C20 | C19 | C18 | H182 | 29.1° | 30.0° |
| C19 | C20 | C21 | H21 | 179.5° | 179.9° |
| C20 | C19 | C24 | H24 | 179.4° | 180.0° |
| C1 | N1 | C | N | 1.0° | 0.1° |
| C1 | N1 | C | H | 179.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| N | C | N1 | H | 180.0° | 179.9° |
| H121 | C12 | C13 | H13 | 75.2° | 174.9° |
| H122 | C12 | C13 | H13 | 165.7° | 65.1° |
| H13 | C13 | C14 | H142 | 173.8° | 177.9° |
| H13 | C13 | C14 | H141 | 53.8° | 57.6° |
| H13 | C13 | C17 | H172 | 51.9° | 59.2° |
| H13 | C13 | C17 | H171 | 170.6° | 179.2° |
| H142 | C14 | C15 | H151 | 58.8° | 57.7° |
| H142 | C14 | C15 | H152 | 178.7° | 177.8° |
| H141 | C14 | C15 | H151 | 61.1° | 62.5° |
| H141 | C14 | C15 | H152 | 58.8° | 57.6° |
| H151 | C15 | C16 | H162 | 58.3° | 59.1° |
| H151 | C15 | C16 | H161 | 61.4° | 60.9° |
| H152 | C15 | C16 | H162 | 61.6° | 179.2° |
| H152 | C15 | C16 | H161 | 178.7° | 59.2° |
| H20 | C20 | C21 | H21 | 0.5° | 0.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
