A1A1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N6 | sing | 1.47Å | 1.48Å | |
| C22 | N6 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| N6 | C23 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C21 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| N5 | C18 | sing | 1.40Å | 1.42Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | N4 | sing | 1.40Å | 1.41Å | |
| N4 | C | sing | 1.39Å | 1.37Å | |
| C | N | doub | 1.32Å | 1.33Å | Aromatic |
| C | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| N | C3 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| N1 | C1 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | N2 | sing | 1.38Å | 1.41Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | C4 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.41Å | 1.43Å | |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| N3 | C5 | sing | 1.48Å | 1.47Å | |
| N3 | C6 | sing | 1.35Å | 1.38Å | |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| CL | C13 | sing | 1.74Å | 1.71Å | |
| CL1 | C9 | sing | 1.74Å | 1.72Å | |
| C8 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.08Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| C4 | H4_2 | sing | 1.09Å | 1.10Å | |
| C4 | H4_1 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C7 | H7_2 | sing | 1.09Å | 1.10Å | |
| C7 | H7_1 | sing | 1.09Å | 1.10Å | |
| C7 | H7_3 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C20 | HC20 | sing | 1.08Å | 1.08Å | |
| C19 | HC19 | sing | 1.08Å | 1.08Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N6 | C22 | 113.0° | 111.0° |
| C25 | N6 | C23 | 111.7° | 111.0° |
| N6 | C25 | H251 | 109.5° | 109.5° |
| N6 | C25 | H253 | 109.5° | 109.5° |
| N6 | C25 | H252 | 109.5° | 109.4° |
| N6 | C22 | C21 | 113.7° | 109.4° |
| C22 | N6 | C23 | 112.3° | 110.9° |
| N6 | C22 | H221 | 108.4° | 109.5° |
| N6 | C22 | H222 | 108.4° | 109.5° |
| C22 | C21 | N5 | 110.7° | 109.3° |
| C21 | C22 | H221 | 108.4° | 109.5° |
| C21 | C22 | H222 | 108.4° | 109.4° |
| C22 | C21 | H212 | 109.1° | 109.5° |
| C22 | C21 | H211 | 109.2° | 109.5° |
| N6 | C23 | C24 | 109.9° | 109.4° |
| N6 | C23 | H232 | 109.3° | 109.5° |
| N6 | C23 | H231 | 109.3° | 109.5° |
| C23 | C24 | N5 | 108.9° | 109.3° |
| C23 | C24 | H242 | 109.6° | 109.6° |
| C23 | C24 | H241 | 109.6° | 109.5° |
| C24 | C23 | H232 | 109.4° | 109.5° |
| C24 | C23 | H231 | 109.4° | 109.5° |
| C21 | N5 | C24 | 118.9° | 110.9° |
| C21 | N5 | C18 | 116.0° | 111.0° |
| N5 | C21 | H212 | 109.2° | 109.5° |
| N5 | C21 | H211 | 109.1° | 109.5° |
| C24 | N5 | C18 | 116.4° | 111.0° |
| N5 | C24 | H242 | 109.6° | 109.5° |
| N5 | C24 | H241 | 109.6° | 109.5° |
| N5 | C18 | C19 | 120.3° | 120.0° |
| N5 | C18 | C17 | 120.6° | 120.0° |
| C19 | C18 | C17 | 119.2° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | HC19 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C18 | C17 | HC17 | 119.9° | 120.0° |
| C19 | C20 | C15 | 120.4° | 120.0° |
| C19 | C20 | HC20 | 119.8° | 120.0° |
| C20 | C19 | HC19 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | HC16 | 119.9° | 120.0° |
| C16 | C17 | HC17 | 119.8° | 120.0° |
| C20 | C15 | C16 | 119.4° | 120.1° |
| C20 | C15 | N4 | 118.5° | 120.0° |
| C15 | C20 | HC20 | 119.8° | 120.0° |
| C16 | C15 | N4 | 122.0° | 120.0° |
| C15 | C16 | HC16 | 119.9° | 120.1° |
| C15 | N4 | C | 132.5° | 120.0° |
| C15 | N4 | HN4 | 113.8° | 120.0° |
| N4 | C | N | 117.0° | 119.0° |
| N4 | C | N1 | 114.9° | 119.0° |
| C | N4 | HN4 | 113.8° | 120.0° |
| N | C | N1 | 128.1° | 122.0° |
| C | N | C3 | 116.5° | 120.7° |
| C | N1 | C1 | 114.4° | 120.8° |
| N | C3 | N2 | 117.6° | 119.6° |
| N | C3 | C2 | 121.2° | 118.5° |
| C14 | N2 | C3 | 116.5° | 110.9° |
| C14 | N2 | C4 | 120.3° | 111.0° |
| N2 | C14 | H141 | 109.5° | 109.5° |
| N2 | C14 | H143 | 109.5° | 109.4° |
| N2 | C14 | H142 | 109.4° | 109.5° |
| N1 | C1 | C2 | 122.4° | 118.9° |
| N1 | C1 | HC1 | 118.8° | 120.5° |
| N2 | C3 | C2 | 121.1° | 121.9° |
| C3 | N2 | C4 | 115.8° | 113.1° |
| C3 | C2 | C1 | 117.0° | 119.1° |
| C3 | C2 | N3 | 120.3° | 120.5° |
| N2 | C4 | C5 | 111.3° | 109.3° |
| N2 | C4 | H4_2 | 109.0° | 109.5° |
| N2 | C4 | H4_1 | 109.0° | 109.6° |
| C1 | C2 | N3 | 122.6° | 120.4° |
| C2 | C1 | HC1 | 118.8° | 120.6° |
| C2 | N3 | C5 | 116.3° | 117.3° |
| C2 | N3 | C6 | 122.5° | 121.4° |
| C4 | C5 | N3 | 105.0° | 107.2° |
| C4 | C5 | C8 | 114.6° | 109.9° |
| C4 | C5 | HC5 | 103.9° | 110.0° |
| C5 | C4 | H4_2 | 109.0° | 109.5° |
| C5 | C4 | H4_1 | 109.0° | 109.5° |
| C5 | N3 | C6 | 120.6° | 121.3° |
| N3 | C5 | C8 | 122.3° | 109.9° |
| N3 | C5 | HC5 | 104.8° | 109.9° |
| N3 | C6 | C7 | 118.3° | 120.0° |
| N3 | C6 | O | 122.9° | 120.0° |
| C5 | C8 | C13 | 119.5° | 120.0° |
| C5 | C8 | C9 | 121.3° | 120.1° |
| C8 | C5 | HC5 | 104.2° | 109.9° |
| C7 | C6 | O | 118.8° | 120.0° |
| C6 | C7 | H7_2 | 109.5° | 109.5° |
| C6 | C7 | H7_1 | 109.5° | 109.5° |
| C6 | C7 | H7_3 | 109.5° | 109.5° |
| CL | C13 | C8 | 120.4° | 120.0° |
| CL | C13 | C12 | 119.4° | 120.0° |
| CL1 | C9 | C8 | 121.3° | 120.0° |
| CL1 | C9 | C10 | 118.9° | 120.0° |
| C13 | C8 | C9 | 119.2° | 120.0° |
| C8 | C13 | C12 | 120.2° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | HC12 | 119.7° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | HC10 | 119.9° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | HC11 | 120.0° | 120.0° |
| C11 | C12 | HC12 | 119.7° | 120.0° |
| C10 | C11 | HC11 | 119.9° | 120.0° |
| C11 | C10 | HC10 | 120.0° | 119.9° |
| H4_2 | C4 | H4_1 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.4° |
| H7_2 | C7 | H7_1 | 109.5° | 109.5° |
| H7_2 | C7 | H7_3 | 109.5° | 109.5° |
| H7_1 | C7 | H7_3 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N6 | C22 | C23 | 127.5° | 123.8° |
| C25 | N6 | C22 | C21 | 178.6° | 176.8° |
| C25 | N6 | C23 | C24 | 172.9° | 176.8° |
| C25 | N6 | C23 | H232 | 52.8° | 63.2° |
| C25 | N6 | C23 | H231 | 67.0° | 56.8° |
| N6 | C25 | H251 | H253 | 120.0° | 120.0° |
| N6 | C25 | H251 | H252 | 120.0° | 120.0° |
| N6 | C25 | H253 | H252 | 120.0° | 120.0° |
| C25 | N6 | C22 | H221 | 58.0° | 63.2° |
| C25 | N6 | C22 | H222 | 60.7° | 56.9° |
| N6 | C22 | C21 | H221 | 120.6° | 120.0° |
| N6 | C22 | C21 | H222 | 120.6° | 119.9° |
| C22 | N6 | C23 | C24 | 58.9° | 59.3° |
| N6 | C22 | C21 | N5 | 41.7° | 58.5° |
| C22 | N6 | C23 | H232 | 179.0° | 60.6° |
| C22 | N6 | C23 | H231 | 61.2° | 179.3° |
| C22 | N6 | C25 | H251 | 180.0° | 176.2° |
| C22 | N6 | C25 | H253 | 60.0° | 56.2° |
| C22 | N6 | C25 | H252 | 60.0° | 63.8° |
| N6 | C22 | H221 | H222 | 118.0° | 120.1° |
| N6 | C22 | C21 | H212 | 161.9° | 61.5° |
| N6 | C22 | C21 | H211 | 78.5° | 178.4° |
| C21 | C22 | N6 | C23 | 51.2° | 59.4° |
| C22 | C21 | N5 | H212 | 120.2° | 120.0° |
| C22 | C21 | N5 | H211 | 120.2° | 119.9° |
| C22 | C21 | N5 | C24 | 45.0° | 59.4° |
| C22 | C21 | N5 | C18 | 168.4° | 176.8° |
| C21 | C22 | H221 | H222 | 118.1° | 120.0° |
| C22 | C21 | H212 | H211 | 119.4° | 120.1° |
| N6 | C23 | C24 | H232 | 120.1° | 120.0° |
| N6 | C23 | C24 | H231 | 120.1° | 120.0° |
| N6 | C23 | C24 | N5 | 57.7° | 58.4° |
| N6 | C23 | C24 | H242 | 62.2° | 178.4° |
| N6 | C23 | C24 | H241 | 177.6° | 61.5° |
| N6 | C23 | H232 | H231 | 119.7° | 120.1° |
| C23 | N6 | C25 | H251 | 52.2° | 60.0° |
| C23 | N6 | C25 | H253 | 172.2° | 180.0° |
| C23 | N6 | C25 | H252 | 67.8° | 60.0° |
| C23 | N6 | C22 | H221 | 69.5° | 60.6° |
| C23 | N6 | C22 | H222 | 171.8° | 179.3° |
| C23 | C24 | N5 | C21 | 53.3° | 59.3° |
| C23 | C24 | N5 | H242 | 119.9° | 120.0° |
| C23 | C24 | N5 | H241 | 119.9° | 119.9° |
| C23 | C24 | N5 | C18 | 160.3° | 176.8° |
| C23 | C24 | H242 | H241 | 120.2° | 120.1° |
| C24 | C23 | H232 | H231 | 119.8° | 120.0° |
| C21 | N5 | C24 | C18 | 146.4° | 123.8° |
| C21 | N5 | C18 | C19 | 37.3° | 56.2° |
| C21 | N5 | C18 | C17 | 144.2° | 124.0° |
| C21 | N5 | C24 | H242 | 66.6° | 179.4° |
| C21 | N5 | C24 | H241 | 173.2° | 60.6° |
| N5 | C21 | C22 | H221 | 78.9° | 61.6° |
| N5 | C21 | C22 | H222 | 162.3° | 178.4° |
| N5 | C21 | H212 | H211 | 119.4° | 120.1° |
| C24 | N5 | C18 | C19 | 175.3° | 180.0° |
| C24 | N5 | C18 | C17 | 3.2° | 0.3° |
| N5 | C24 | H242 | H241 | 120.3° | 120.0° |
| N5 | C24 | C23 | H232 | 177.7° | 61.6° |
| N5 | C24 | C23 | H231 | 62.4° | 178.4° |
| C24 | N5 | C21 | H212 | 165.2° | 60.6° |
| C24 | N5 | C21 | H211 | 75.2° | 179.3° |
| N5 | C18 | C19 | C17 | 178.5° | 179.7° |
| N5 | C18 | C19 | C20 | 177.6° | 180.0° |
| N5 | C18 | C17 | C16 | 178.2° | 179.9° |
| N5 | C18 | C19 | HC19 | 2.4° | 0.0° |
| N5 | C18 | C17 | HC17 | 1.8° | 0.2° |
| C18 | N5 | C24 | H242 | 79.8° | 56.8° |
| C18 | N5 | C24 | H241 | 40.4° | 63.2° |
| C18 | N5 | C21 | H212 | 48.3° | 63.2° |
| C18 | N5 | C21 | H211 | 71.4° | 56.9° |
| C18 | C19 | C20 | HC19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.4° |
| C18 | C19 | C20 | C15 | 0.8° | 0.0° |
| C18 | C19 | C20 | HC20 | 179.2° | 180.0° |
| C19 | C18 | C17 | HC17 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.3° |
| C18 | C17 | C16 | HC17 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | HC16 | 179.7° | 180.0° |
| C17 | C18 | C19 | HC19 | 179.1° | 179.7° |
| C19 | C20 | C15 | HC20 | 180.0° | 180.0° |
| C19 | C20 | C15 | C16 | 0.2° | 0.3° |
| C19 | C20 | C15 | N4 | 178.4° | 180.0° |
| C17 | C16 | C15 | C20 | 0.4° | 0.2° |
| C17 | C16 | C15 | HC16 | 180.0° | 179.9° |
| C17 | C16 | C15 | N4 | 177.7° | 179.9° |
| C20 | C15 | C16 | N4 | 178.1° | 179.7° |
| C20 | C15 | N4 | C | 170.3° | 29.6° |
| C20 | C15 | C16 | HC16 | 179.7° | 179.7° |
| C20 | C15 | N4 | HN4 | 9.7° | 150.4° |
| C15 | C20 | C19 | HC19 | 179.2° | 179.9° |
| C16 | C15 | N4 | C | 11.5° | 150.7° |
| C16 | C15 | N4 | HN4 | 168.5° | 29.3° |
| C16 | C15 | C20 | HC20 | 179.8° | 179.7° |
| C15 | C16 | C17 | HC17 | 179.7° | 179.8° |
| C15 | N4 | C | HN4 | 180.0° | 179.9° |
| C15 | N4 | C | N | 7.4° | 173.3° |
| C15 | N4 | C | N1 | 173.7° | 7.0° |
| N4 | C15 | C16 | HC16 | 2.2° | 0.0° |
| N4 | C15 | C20 | HC20 | 1.7° | 0.0° |
| N4 | C | N | N1 | 178.8° | 179.7° |
| N4 | C | N | C3 | 175.6° | 179.9° |
| N4 | C | N1 | C1 | 172.9° | 179.8° |
| N | C | N1 | C1 | 8.3° | 0.2° |
| C | N | C3 | N2 | 178.5° | 179.7° |
| C | N | C3 | C2 | 1.0° | 0.4° |
| N | C | N4 | HN4 | 172.6° | 6.8° |
| N1 | C | N | C3 | 5.6° | 0.4° |
| C | N1 | C1 | C2 | 4.5° | 0.0° |
| C | N1 | C1 | HC1 | 175.4° | 179.8° |
| N1 | C | N4 | HN4 | 6.4° | 172.9° |
| N | C3 | N2 | C14 | 16.3° | 32.0° |
| N | C3 | N2 | C2 | 179.5° | 179.3° |
| N | C3 | N2 | C4 | 166.3° | 157.4° |
| N | C3 | C2 | C1 | 3.9° | 0.2° |
| N | C3 | C2 | N3 | 178.1° | 180.0° |
| C14 | N2 | C3 | C4 | 149.9° | 125.4° |
| C14 | N2 | C3 | C2 | 164.1° | 148.7° |
| C14 | N2 | C4 | C5 | 167.0° | 179.2° |
| C14 | N2 | C4 | H4_2 | 46.7° | 59.2° |
| C14 | N2 | C4 | H4_1 | 72.7° | 60.8° |
| N2 | C14 | H141 | H143 | 120.0° | 120.0° |
| N2 | C14 | H141 | H142 | 120.0° | 120.1° |
| N2 | C14 | H143 | H142 | 120.0° | 120.0° |
| N1 | C1 | C2 | C3 | 0.9° | 0.0° |
| N1 | C1 | C2 | HC1 | 180.0° | 179.8° |
| N1 | C1 | C2 | N3 | 178.8° | 179.7° |
| N2 | C3 | C2 | C1 | 175.6° | 179.5° |
| N2 | C3 | C2 | N3 | 2.3° | 0.8° |
| C3 | N2 | C4 | C5 | 44.3° | 53.8° |
| C3 | N2 | C4 | H4_2 | 164.6° | 66.2° |
| C3 | N2 | C4 | H4_1 | 76.0° | 173.7° |
| C3 | N2 | C14 | H141 | 180.0° | 63.9° |
| C3 | N2 | C14 | H143 | 60.0° | 176.0° |
| C3 | N2 | C14 | H142 | 60.0° | 56.1° |
| C2 | C3 | N2 | C4 | 14.2° | 23.3° |
| C3 | C2 | C1 | N3 | 177.9° | 179.7° |
| C3 | C2 | N3 | C5 | 23.6° | 11.3° |
| C3 | C2 | N3 | C6 | 147.7° | 168.7° |
| C3 | C2 | C1 | HC1 | 179.1° | 179.8° |
| N2 | C4 | C5 | H4_2 | 120.3° | 120.0° |
| N2 | C4 | C5 | H4_1 | 120.3° | 120.0° |
| N2 | C4 | C5 | N3 | 61.0° | 61.6° |
| N2 | C4 | C5 | C8 | 162.0° | 179.0° |
| N2 | C4 | C5 | HC5 | 48.9° | 57.8° |
| N2 | C4 | H4_2 | H4_1 | 119.1° | 120.1° |
| C4 | N2 | C14 | H141 | 31.5° | 62.7° |
| C4 | N2 | C14 | H143 | 151.5° | 57.4° |
| C4 | N2 | C14 | H142 | 88.5° | 177.3° |
| C1 | C2 | N3 | C5 | 154.2° | 169.0° |
| C1 | C2 | N3 | C6 | 34.5° | 11.0° |
| C2 | N3 | C5 | C4 | 50.3° | 40.6° |
| C2 | N3 | C5 | C6 | 171.5° | 179.9° |
| C2 | N3 | C5 | C8 | 176.8° | 160.1° |
| C2 | N3 | C6 | C7 | 10.7° | 157.2° |
| C2 | N3 | C6 | O | 171.4° | 22.8° |
| N3 | C2 | C1 | HC1 | 1.2° | 0.5° |
| C2 | N3 | C5 | HC5 | 58.8° | 78.8° |
| C4 | C5 | N3 | C8 | 132.9° | 119.4° |
| C4 | C5 | N3 | HC5 | 109.2° | 119.5° |
| C4 | C5 | N3 | C6 | 121.1° | 139.3° |
| C4 | C5 | C8 | HC5 | 112.9° | 121.2° |
| C4 | C5 | C8 | C13 | 135.8° | 119.4° |
| C4 | C5 | C8 | C9 | 44.5° | 60.9° |
| C5 | C4 | H4_2 | H4_1 | 119.2° | 120.0° |
| N3 | C5 | C8 | HC5 | 118.2° | 121.1° |
| C5 | N3 | C6 | C7 | 160.2° | 22.9° |
| C5 | N3 | C6 | O | 17.7° | 157.1° |
| N3 | C5 | C8 | C13 | 95.3° | 122.9° |
| N3 | C5 | C8 | C9 | 84.3° | 56.8° |
| N3 | C5 | C4 | H4_2 | 178.8° | 58.4° |
| N3 | C5 | C4 | H4_1 | 59.3° | 178.4° |
| C6 | N3 | C5 | C8 | 11.8° | 19.9° |
| N3 | C6 | C7 | O | 178.0° | 180.0° |
| C6 | N3 | C5 | HC5 | 129.7° | 101.2° |
| N3 | C6 | C7 | H7_2 | 178.0° | 53.3° |
| N3 | C6 | C7 | H7_1 | 58.0° | 66.7° |
| N3 | C6 | C7 | H7_3 | 62.0° | 173.3° |
| C5 | C8 | C13 | CL | 4.1° | 0.0° |
| C5 | C8 | C9 | CL1 | 4.3° | 0.0° |
| C5 | C8 | C13 | C9 | 179.7° | 179.7° |
| C5 | C8 | C13 | C12 | 177.2° | 180.0° |
| C5 | C8 | C9 | C10 | 177.8° | 180.0° |
| C8 | C5 | C4 | H4_2 | 41.7° | 61.0° |
| C8 | C5 | C4 | H4_1 | 77.8° | 58.9° |
| C6 | C7 | H7_2 | H7_1 | 120.0° | 120.0° |
| C6 | C7 | H7_2 | H7_3 | 120.0° | 120.0° |
| C6 | C7 | H7_1 | H7_3 | 120.0° | 120.0° |
| O | C6 | C7 | H7_2 | 0.0° | 126.7° |
| O | C6 | C7 | H7_1 | 120.0° | 113.3° |
| O | C6 | C7 | H7_3 | 120.0° | 6.7° |
| CL | C13 | C8 | C12 | 178.7° | 180.0° |
| CL | C13 | C8 | C9 | 175.6° | 179.7° |
| CL | C13 | C12 | C11 | 177.1° | 180.0° |
| CL | C13 | C12 | HC12 | 2.9° | 0.1° |
| CL1 | C9 | C8 | C13 | 175.3° | 179.7° |
| CL1 | C9 | C8 | C10 | 177.9° | 180.0° |
| CL1 | C9 | C10 | C11 | 177.4° | 180.0° |
| CL1 | C9 | C10 | HC10 | 2.6° | 0.0° |
| C13 | C8 | C9 | C10 | 2.6° | 0.3° |
| C8 | C13 | C12 | C11 | 1.7° | 0.0° |
| C13 | C8 | C5 | HC5 | 22.9° | 1.8° |
| C8 | C13 | C12 | HC12 | 178.3° | 179.9° |
| C9 | C8 | C13 | C12 | 3.1° | 0.3° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | C8 | C5 | HC5 | 157.4° | 177.9° |
| C8 | C9 | C10 | HC10 | 179.4° | 180.0° |
| C13 | C12 | C11 | HC12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.3° | 0.3° |
| C13 | C12 | C11 | HC11 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.9° | 0.3° |
| C9 | C10 | C11 | HC10 | 180.0° | 180.0° |
| C9 | C10 | C11 | HC11 | 179.1° | 180.0° |
| C12 | C11 | C10 | HC11 | 180.0° | 179.7° |
| C12 | C11 | C10 | HC10 | 179.1° | 179.7° |
| C10 | C11 | C12 | HC12 | 179.6° | 179.8° |
| HC5 | C5 | C4 | H4_2 | 71.4° | 177.8° |
| HC5 | C5 | C4 | H4_1 | 169.2° | 62.2° |
| HC11 | C11 | C12 | HC12 | 0.4° | 0.1° |
| HC11 | C11 | C10 | HC10 | 0.9° | 0.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| HC16 | C16 | C17 | HC17 | 0.3° | 0.3° |
| H7_2 | C7 | H7_1 | H7_3 | 120.0° | 120.0° |
| HC20 | C20 | C19 | HC19 | 0.8° | 0.0° |
| H242 | C24 | C23 | H232 | 57.8° | 58.4° |
| H242 | C24 | C23 | H231 | 177.7° | 61.6° |
| H241 | C24 | C23 | H232 | 62.4° | 178.5° |
| H241 | C24 | C23 | H231 | 57.5° | 58.5° |
| H251 | C25 | H253 | H252 | 120.0° | 120.0° |
| H221 | C22 | C21 | H212 | 41.3° | 178.5° |
| H221 | C22 | C21 | H211 | 160.9° | 58.4° |
| H222 | C22 | C21 | H212 | 77.5° | 58.4° |
| H222 | C22 | C21 | H211 | 42.2° | 61.7° |
