KHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.51Å | 1.39Å | |
| C1 | C2 | sing | 1.51Å | 1.39Å | |
| C3 | C2 | doub | 1.31Å | 1.39Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C5 | sing | 1.35Å | 1.42Å | |
| C11 | C10 | doub | 1.37Å | 1.41Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.52Å | |
| C5 | O1 | doub | 1.22Å | 1.22Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| N2 | C12 | sing | 1.37Å | 1.32Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | N4 | sing | 1.38Å | 1.41Å | |
| N4 | C13 | sing | 1.39Å | 1.45Å | |
| C13 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C23 | doub | 1.21Å | 1.21Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | N6 | sing | 1.47Å | 1.39Å | |
| C16 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.54Å | |
| C20 | N7 | sing | 1.47Å | 1.36Å | |
| F2 | C25 | sing | 1.40Å | 1.35Å | |
| C18 | N6 | sing | 1.47Å | 1.26Å | |
| C23 | N7 | sing | 1.35Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| N6 | C22 | sing | 1.47Å | 1.40Å | |
| N7 | C21 | sing | 1.47Å | 1.35Å | |
| C25 | F3 | sing | 1.40Å | 1.36Å | |
| C25 | C24 | sing | 1.53Å | 1.59Å | |
| C25 | F1 | sing | 1.40Å | 1.36Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 59.9° | 51.5° |
| C1 | C3 | C2 | 60.1° | 64.2° |
| C3 | C1 | H1 | 120.0° | 118.4° |
| C3 | C1 | H11 | 120.0° | 118.4° |
| C1 | C3 | H31 | 149.9° | 147.9° |
| C1 | C2 | C3 | 60.0° | 64.2° |
| C1 | C2 | C4 | 149.7° | 147.9° |
| C2 | C1 | H1 | 120.0° | 118.4° |
| C2 | C1 | H11 | 120.0° | 118.5° |
| C3 | C2 | C4 | 150.3° | 147.9° |
| C2 | C3 | H31 | 150.0° | 147.9° |
| C2 | C4 | N1 | 108.7° | 109.5° |
| C2 | C4 | H42 | 109.7° | 109.5° |
| C2 | C4 | H41 | 109.7° | 109.5° |
| C4 | N1 | C5 | 121.3° | 120.0° |
| N1 | C4 | H42 | 109.6° | 109.4° |
| N1 | C4 | H41 | 109.7° | 109.5° |
| C4 | N1 | H12 | 119.3° | 120.0° |
| N1 | C5 | C6 | 118.9° | 120.0° |
| N1 | C5 | O1 | 120.1° | 120.0° |
| C5 | N1 | H12 | 119.4° | 120.0° |
| C10 | C11 | C6 | 120.3° | 120.5° |
| C11 | C10 | C9 | 119.9° | 120.1° |
| C11 | C10 | H101 | 120.0° | 120.0° |
| C10 | C11 | H111 | 119.9° | 119.7° |
| C11 | C6 | C5 | 120.1° | 119.9° |
| C11 | C6 | C7 | 119.6° | 120.2° |
| C6 | C11 | H111 | 119.8° | 119.8° |
| C10 | C9 | N2 | 133.6° | 133.7° |
| C10 | C9 | C8 | 119.7° | 120.2° |
| C9 | C10 | H101 | 120.0° | 119.9° |
| C6 | C5 | O1 | 121.0° | 120.0° |
| C5 | C6 | C7 | 120.3° | 119.9° |
| C6 | C7 | C8 | 120.1° | 119.5° |
| C6 | C7 | H71 | 120.0° | 120.2° |
| N2 | C9 | C8 | 106.8° | 106.1° |
| C9 | N2 | C12 | 108.8° | 107.3° |
| C9 | N2 | H2 | 125.6° | 126.4° |
| C9 | C8 | C7 | 120.4° | 119.5° |
| C9 | C8 | N3 | 106.1° | 107.2° |
| N2 | C12 | N3 | 108.9° | 109.9° |
| N2 | C12 | N4 | 124.9° | 125.0° |
| C12 | N2 | H2 | 125.6° | 126.3° |
| C7 | C8 | N3 | 133.5° | 133.3° |
| C8 | C7 | H71 | 120.0° | 120.2° |
| C8 | N3 | C12 | 109.4° | 109.5° |
| N3 | C12 | N4 | 126.2° | 125.0° |
| C12 | N4 | C13 | 121.8° | 120.0° |
| C12 | N4 | H43 | 119.1° | 120.0° |
| N4 | C13 | N5 | 119.5° | 119.7° |
| N4 | C13 | C17 | 118.6° | 119.7° |
| C13 | N4 | H43 | 119.1° | 120.0° |
| N5 | C13 | C17 | 121.9° | 120.6° |
| C13 | N5 | C14 | 121.0° | 121.6° |
| C13 | C17 | C16 | 119.5° | 119.1° |
| C13 | C17 | H171 | 120.2° | 120.5° |
| N5 | C14 | C15 | 121.3° | 120.8° |
| N5 | C14 | H141 | 119.4° | 119.6° |
| C17 | C16 | C15 | 116.3° | 118.5° |
| C17 | C16 | C18 | 122.3° | 120.7° |
| C16 | C17 | H171 | 120.2° | 120.4° |
| C14 | C15 | C16 | 120.0° | 119.3° |
| C15 | C14 | H141 | 119.4° | 119.6° |
| C14 | C15 | H151 | 120.0° | 120.3° |
| O2 | C23 | N7 | 119.0° | 120.0° |
| O2 | C23 | C24 | 118.0° | 120.0° |
| C20 | C19 | N6 | 113.3° | 109.3° |
| C19 | C20 | N7 | 110.4° | 108.5° |
| C20 | C19 | H192 | 108.5° | 109.5° |
| C20 | C19 | H191 | 108.5° | 109.5° |
| C19 | C20 | H201 | 109.2° | 109.6° |
| C19 | C20 | H202 | 109.2° | 109.6° |
| C19 | N6 | C18 | 112.6° | 111.0° |
| C19 | N6 | C22 | 114.0° | 111.3° |
| N6 | C19 | H192 | 108.5° | 109.5° |
| N6 | C19 | H191 | 108.5° | 109.5° |
| C15 | C16 | C18 | 121.4° | 120.7° |
| C16 | C15 | H151 | 120.0° | 120.4° |
| C16 | C18 | N6 | 111.2° | 109.5° |
| C16 | C18 | H181 | 109.0° | 109.5° |
| C16 | C18 | H182 | 109.1° | 109.5° |
| C20 | N7 | C23 | 122.1° | 120.9° |
| C20 | N7 | C21 | 112.6° | 118.3° |
| N7 | C20 | H201 | 109.3° | 109.6° |
| N7 | C20 | H202 | 109.3° | 109.6° |
| F2 | C25 | F3 | 109.0° | 109.5° |
| F2 | C25 | C24 | 109.5° | 109.5° |
| F2 | C25 | F1 | 109.9° | 109.5° |
| C18 | N6 | C22 | 113.1° | 111.0° |
| N6 | C18 | H181 | 109.1° | 109.4° |
| N6 | C18 | H182 | 109.0° | 109.4° |
| N7 | C23 | C24 | 123.0° | 120.0° |
| C23 | N7 | C21 | 125.4° | 120.8° |
| C23 | C24 | C25 | 109.7° | 109.4° |
| C23 | C24 | H241 | 109.4° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.5° |
| N6 | C22 | C21 | 113.6° | 109.4° |
| N6 | C22 | H222 | 108.4° | 109.5° |
| N6 | C22 | H221 | 108.4° | 109.5° |
| N7 | C21 | C22 | 111.9° | 108.5° |
| N7 | C21 | H212 | 108.9° | 109.7° |
| N7 | C21 | H211 | 108.9° | 109.8° |
| F3 | C25 | C24 | 109.3° | 109.5° |
| F3 | C25 | F1 | 109.6° | 109.5° |
| C24 | C25 | F1 | 109.5° | 109.5° |
| C25 | C24 | H241 | 109.4° | 109.5° |
| C25 | C24 | H242 | 109.4° | 109.5° |
| C22 | C21 | H212 | 108.9° | 109.6° |
| C22 | C21 | H211 | 108.9° | 109.6° |
| C21 | C22 | H222 | 108.4° | 109.5° |
| C21 | C22 | H221 | 108.4° | 109.5° |
| H1 | C1 | H11 | 109.5° | 116.2° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.8° |
| H212 | C21 | H211 | 109.5° | 109.6° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H42 | C4 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 109.4° | 105.1° |
| C3 | C1 | C2 | H11 | 109.4° | 105.1° |
| C1 | C3 | C2 | H31 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 179.2° | 179.9° |
| C3 | C1 | H1 | H11 | 144.8° | 150.3° |
| C1 | C2 | C4 | N1 | 7.5° | 84.9° |
| C2 | C1 | H1 | H11 | 144.8° | 150.4° |
| C1 | C2 | C4 | H42 | 112.4° | 35.1° |
| C1 | C2 | C4 | H41 | 127.3° | 155.0° |
| C3 | C2 | C4 | N1 | 171.2° | 94.9° |
| C3 | C2 | C4 | H42 | 68.9° | 145.1° |
| C3 | C2 | C4 | H41 | 51.3° | 25.1° |
| C2 | C4 | N1 | H42 | 119.9° | 120.0° |
| C2 | C4 | N1 | H41 | 119.9° | 120.1° |
| C2 | C4 | N1 | C5 | 168.0° | 180.0° |
| C4 | C2 | C1 | H1 | 69.8° | 75.0° |
| C4 | C2 | C1 | H11 | 71.3° | 74.8° |
| C4 | C2 | C3 | H31 | 0.8° | 0.1° |
| C2 | C4 | H42 | H41 | 120.3° | 120.0° |
| C2 | C4 | N1 | H12 | 12.0° | 0.0° |
| C4 | N1 | C5 | H12 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 179.6° | 180.0° |
| C4 | N1 | C5 | O1 | 0.1° | 0.0° |
| N1 | C4 | H42 | H41 | 120.3° | 119.9° |
| N1 | C5 | C6 | C11 | 0.7° | 0.0° |
| N1 | C5 | C6 | O1 | 179.7° | 180.0° |
| N1 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | N1 | C4 | H42 | 48.1° | 60.0° |
| C5 | N1 | C4 | H41 | 72.1° | 59.9° |
| C10 | C11 | C6 | H111 | 180.0° | 180.0° |
| C11 | C10 | C9 | H101 | 180.0° | 179.7° |
| C10 | C11 | C6 | C5 | 179.7° | 179.9° |
| C10 | C11 | C6 | C7 | 0.2° | 0.0° |
| C11 | C10 | C9 | N2 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C6 | C5 | C7 | 179.5° | 180.0° |
| C11 | C6 | C5 | O1 | 179.0° | 180.0° |
| C11 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C11 | C10 | H101 | 180.0° | 179.7° |
| C11 | C6 | C7 | H71 | 179.8° | 179.9° |
| C10 | C9 | N2 | C8 | 179.9° | 179.8° |
| C10 | C9 | N2 | C12 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | N3 | 179.9° | 180.0° |
| C9 | C10 | C11 | H111 | 179.9° | 180.0° |
| C10 | C9 | N2 | H2 | 0.1° | 0.0° |
| C5 | C6 | C7 | C8 | 179.8° | 180.0° |
| C5 | C6 | C11 | H111 | 0.2° | 0.0° |
| C5 | C6 | C7 | H71 | 0.2° | 0.0° |
| C6 | C5 | N1 | H12 | 0.4° | 0.0° |
| O1 | C5 | C6 | C7 | 0.6° | 0.0° |
| O1 | C5 | N1 | H12 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H71 | 180.0° | 179.9° |
| C6 | C7 | C8 | N3 | 179.7° | 180.0° |
| C7 | C6 | C11 | H111 | 179.8° | 180.0° |
| C9 | N2 | C12 | H2 | 180.0° | 179.9° |
| N2 | C9 | C8 | C7 | 179.9° | 179.8° |
| N2 | C9 | C8 | N3 | 0.0° | 0.2° |
| C9 | N2 | C12 | N3 | 0.2° | 0.2° |
| C9 | N2 | C12 | N4 | 179.9° | 179.9° |
| N2 | C9 | C10 | H101 | 0.1° | 0.1° |
| C8 | C9 | N2 | C12 | 0.1° | 0.2° |
| C9 | C8 | C7 | N3 | 179.8° | 180.0° |
| C9 | C8 | N3 | C12 | 0.2° | 0.0° |
| C8 | C9 | C10 | H101 | 179.9° | 179.7° |
| C9 | C8 | C7 | H71 | 179.9° | 179.9° |
| C8 | C9 | N2 | H2 | 179.8° | 179.8° |
| N2 | C12 | N3 | C8 | 0.3° | 0.1° |
| N2 | C12 | N3 | N4 | 179.9° | 179.9° |
| N2 | C12 | N4 | C13 | 172.2° | 5.3° |
| N2 | C12 | N4 | H43 | 7.8° | 174.7° |
| C7 | C8 | N3 | C12 | 180.0° | 180.0° |
| C8 | N3 | C12 | N4 | 179.9° | 180.0° |
| N3 | C8 | C7 | H71 | 0.3° | 0.1° |
| N3 | C12 | N4 | C13 | 7.9° | 174.5° |
| N3 | C12 | N2 | H2 | 179.7° | 179.8° |
| N3 | C12 | N4 | H43 | 172.1° | 5.4° |
| C12 | N4 | C13 | H43 | 180.0° | 180.0° |
| C12 | N4 | C13 | N5 | 0.5° | 5.6° |
| C12 | N4 | C13 | C17 | 179.9° | 174.7° |
| N4 | C12 | N2 | H2 | 0.1° | 0.0° |
| N4 | C13 | N5 | C17 | 179.4° | 179.7° |
| N4 | C13 | N5 | C14 | 179.9° | 179.7° |
| N4 | C13 | C17 | C16 | 179.9° | 179.7° |
| N4 | C13 | C17 | H171 | 0.2° | 0.3° |
| N5 | C13 | C17 | C16 | 0.7° | 0.0° |
| C13 | N5 | C14 | C15 | 0.1° | 0.0° |
| C13 | N5 | C14 | H141 | 179.9° | 180.0° |
| N5 | C13 | C17 | H171 | 179.3° | 180.0° |
| N5 | C13 | N4 | H43 | 179.5° | 174.5° |
| C17 | C13 | N5 | C14 | 0.5° | 0.0° |
| C13 | C17 | C16 | H171 | 180.0° | 180.0° |
| C13 | C17 | C16 | C15 | 0.5° | 0.0° |
| C13 | C17 | C16 | C18 | 179.8° | 180.0° |
| C17 | C13 | N4 | H43 | 0.1° | 5.3° |
| N5 | C14 | C15 | H141 | 180.0° | 180.0° |
| N5 | C14 | C15 | C16 | 0.0° | 0.0° |
| N5 | C14 | C15 | H151 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | C18 | 179.6° | 179.9° |
| C17 | C16 | C18 | N6 | 84.7° | 90.0° |
| C17 | C16 | C15 | H151 | 179.8° | 180.0° |
| C17 | C16 | C18 | H181 | 35.6° | 30.0° |
| C17 | C16 | C18 | H182 | 155.0° | 150.1° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C18 | 179.8° | 180.0° |
| O2 | C23 | N7 | C20 | 0.2° | 0.0° |
| O2 | C23 | N7 | C24 | 179.9° | 180.0° |
| O2 | C23 | N7 | C21 | 179.6° | 180.0° |
| O2 | C23 | C24 | C25 | 6.5° | 0.0° |
| O2 | C23 | C24 | H241 | 126.6° | 120.0° |
| O2 | C23 | C24 | H242 | 113.5° | 120.0° |
| C20 | C19 | N6 | H192 | 120.6° | 120.0° |
| C20 | C19 | N6 | H191 | 120.5° | 120.0° |
| C19 | C20 | N7 | H201 | 120.2° | 119.7° |
| C19 | C20 | N7 | H202 | 120.2° | 119.7° |
| C20 | C19 | N6 | C18 | 160.7° | 172.7° |
| C19 | C20 | N7 | C23 | 113.6° | 128.9° |
| C20 | C19 | N6 | C22 | 30.0° | 63.1° |
| C19 | C20 | N7 | C21 | 66.2° | 51.2° |
| C20 | C19 | H192 | H191 | 118.2° | 120.1° |
| C19 | C20 | H201 | H202 | 119.6° | 120.5° |
| C19 | N6 | C18 | C16 | 73.8° | 170.0° |
| N6 | C19 | C20 | N7 | 25.7° | 53.8° |
| C19 | N6 | C18 | C22 | 131.1° | 124.3° |
| C19 | N6 | C22 | C21 | 49.2° | 63.1° |
| C19 | N6 | C18 | H181 | 46.5° | 50.0° |
| C19 | N6 | C18 | H182 | 165.9° | 70.0° |
| N6 | C19 | H192 | H191 | 118.2° | 120.0° |
| N6 | C19 | C20 | H201 | 145.8° | 65.9° |
| N6 | C19 | C20 | H202 | 94.5° | 173.5° |
| C19 | N6 | C22 | H222 | 71.4° | 176.9° |
| C19 | N6 | C22 | H221 | 169.8° | 56.9° |
| C15 | C16 | C18 | N6 | 95.7° | 90.0° |
| C16 | C15 | C14 | H141 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.4° | 180.0° |
| C15 | C16 | C18 | H181 | 144.0° | 150.0° |
| C15 | C16 | C18 | H182 | 24.6° | 30.0° |
| C16 | C18 | N6 | H181 | 120.3° | 120.0° |
| C16 | C18 | N6 | H182 | 120.3° | 120.0° |
| C16 | C18 | N6 | C22 | 155.1° | 65.7° |
| C18 | C16 | C15 | H151 | 0.2° | 0.1° |
| C18 | C16 | C17 | H171 | 0.2° | 0.1° |
| C16 | C18 | H181 | H182 | 119.2° | 120.1° |
| C20 | N7 | C23 | C21 | 179.8° | 179.9° |
| C20 | N7 | C23 | C24 | 179.7° | 180.0° |
| C20 | N7 | C21 | C22 | 46.3° | 51.2° |
| N7 | C20 | C19 | H192 | 146.3° | 66.1° |
| N7 | C20 | C19 | H191 | 94.9° | 173.8° |
| N7 | C20 | H201 | H202 | 119.6° | 120.5° |
| C20 | N7 | C21 | H212 | 166.7° | 170.9° |
| C20 | N7 | C21 | H211 | 74.0° | 68.6° |
| F2 | C25 | C24 | C23 | 33.7° | 60.0° |
| F2 | C25 | F3 | C24 | 119.6° | 120.0° |
| F2 | C25 | F3 | F1 | 120.3° | 120.0° |
| F2 | C25 | C24 | F1 | 120.6° | 120.0° |
| F2 | C25 | C24 | H241 | 153.8° | 180.0° |
| F2 | C25 | C24 | H242 | 86.3° | 60.0° |
| C18 | N6 | C22 | C21 | 179.7° | 172.8° |
| N6 | C18 | H181 | H182 | 119.2° | 119.9° |
| C18 | N6 | C19 | H192 | 40.1° | 67.3° |
| C18 | N6 | C19 | H191 | 78.8° | 52.8° |
| C18 | N6 | C22 | H222 | 59.0° | 52.7° |
| C18 | N6 | C22 | H221 | 59.8° | 67.3° |
| N7 | C23 | C24 | C25 | 173.3° | 180.0° |
| C23 | N7 | C21 | C22 | 133.5° | 128.9° |
| C23 | N7 | C20 | H201 | 6.6° | 111.4° |
| C23 | N7 | C20 | H202 | 126.3° | 9.2° |
| C23 | N7 | C21 | H212 | 13.1° | 9.1° |
| C23 | N7 | C21 | H211 | 106.2° | 111.4° |
| N7 | C23 | C24 | H241 | 53.3° | 60.0° |
| N7 | C23 | C24 | H242 | 66.6° | 60.0° |
| C24 | C23 | N7 | C21 | 0.6° | 0.0° |
| C23 | C24 | C25 | F3 | 85.6° | 60.0° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | C25 | F1 | 154.3° | 180.0° |
| C23 | C24 | H241 | H242 | 119.9° | 120.0° |
| N6 | C22 | C21 | N7 | 11.4° | 53.8° |
| N6 | C22 | C21 | H222 | 120.6° | 120.0° |
| N6 | C22 | C21 | H221 | 120.6° | 119.9° |
| C22 | N6 | C18 | H181 | 84.6° | 174.3° |
| C22 | N6 | C18 | H182 | 34.8° | 54.3° |
| C22 | N6 | C19 | H192 | 90.6° | 56.9° |
| C22 | N6 | C19 | H191 | 150.6° | 176.9° |
| N6 | C22 | C21 | H212 | 108.9° | 173.6° |
| N6 | C22 | C21 | H211 | 131.8° | 66.1° |
| N6 | C22 | H222 | H221 | 118.1° | 120.0° |
| N7 | C21 | C22 | H212 | 120.4° | 119.8° |
| N7 | C21 | C22 | H211 | 120.3° | 119.8° |
| C21 | N7 | C20 | H201 | 173.6° | 68.5° |
| C21 | N7 | C20 | H202 | 54.0° | 170.9° |
| N7 | C21 | H212 | H211 | 118.9° | 120.6° |
| N7 | C21 | C22 | H222 | 109.2° | 173.7° |
| N7 | C21 | C22 | H221 | 132.0° | 66.2° |
| F3 | C25 | C24 | F1 | 120.1° | 120.0° |
| F3 | C25 | C24 | H241 | 34.5° | 60.0° |
| F3 | C25 | C24 | H242 | 154.4° | 180.0° |
| C25 | C24 | H241 | H242 | 119.9° | 120.0° |
| F1 | C25 | C24 | H241 | 85.6° | 60.0° |
| F1 | C25 | C24 | H242 | 34.3° | 60.0° |
| C22 | C21 | H212 | H211 | 118.9° | 120.3° |
| C21 | C22 | H222 | H221 | 118.1° | 120.1° |
| H1 | C1 | C3 | H31 | 70.6° | 74.8° |
| H11 | C1 | C3 | H31 | 70.5° | 74.8° |
| H101 | C10 | C11 | H111 | 0.1° | 0.3° |
| H141 | C14 | C15 | H151 | 0.0° | 0.0° |
| H192 | C19 | C20 | H201 | 93.6° | 174.2° |
| H192 | C19 | C20 | H202 | 26.1° | 53.6° |
| H191 | C19 | C20 | H201 | 25.3° | 54.1° |
| H191 | C19 | C20 | H202 | 145.0° | 66.5° |
| H212 | C21 | C22 | H222 | 130.4° | 66.5° |
| H212 | C21 | C22 | H221 | 11.7° | 53.6° |
| H211 | C21 | C22 | H222 | 11.2° | 53.9° |
| H211 | C21 | C22 | H221 | 107.6° | 174.0° |
| H42 | C4 | N1 | H12 | 131.9° | 120.1° |
| H41 | C4 | N1 | H12 | 107.9° | 120.0° |
