A1ARU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C15 | doub | 1.21Å | 1.23Å | |
| N3 | C15 | sing | 1.35Å | 1.33Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C | N3 | sing | 1.46Å | 1.46Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | O4 | sing | 1.43Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| O | C1 | doub | 1.21Å | 1.22Å | |
| N | C1 | sing | 1.35Å | 1.32Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | C12 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| N4 | C5 | doub | 1.28Å | 1.26Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| O3 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N2 | sing | 1.34Å | 1.33Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| F17 | C16 | sing | 1.40Å | 1.33Å | |
| F18 | C16 | sing | 1.40Å | 1.32Å | |
| C16 | F19 | sing | 1.40Å | 1.32Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C | H0 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | 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 | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | 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 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C15 | N3 | 120.9° | 120.0° |
| O6 | C15 | C16 | 121.1° | 120.0° |
| N3 | C15 | C16 | 118.0° | 120.1° |
| C15 | N3 | C | 120.2° | 120.0° |
| C15 | N3 | HN3 | 119.9° | 119.9° |
| C15 | C16 | F17 | 110.4° | 109.5° |
| C15 | C16 | F18 | 110.9° | 109.4° |
| C15 | C16 | F19 | 109.8° | 109.5° |
| N3 | C | C13 | 111.5° | 109.5° |
| N3 | C | C1 | 111.8° | 109.5° |
| N3 | C | H0 | 107.8° | 109.5° |
| C | N3 | HN3 | 119.9° | 120.0° |
| C13 | C | C1 | 111.3° | 109.5° |
| C | C13 | C14 | 109.5° | 109.5° |
| C | C13 | O4 | 108.8° | 109.5° |
| C13 | C | H0 | 106.9° | 109.5° |
| C | C13 | H13 | 108.4° | 109.5° |
| C | C1 | O | 122.6° | 120.0° |
| C | C1 | N | 113.5° | 120.0° |
| C1 | C | H0 | 107.2° | 109.4° |
| C14 | C13 | O4 | 112.1° | 109.5° |
| C14 | C13 | H13 | 108.4° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.4° | 109.5° |
| C13 | O4 | C17 | 116.6° | 114.0° |
| O4 | C13 | H13 | 109.6° | 109.5° |
| O4 | C17 | C18 | 112.5° | 109.5° |
| O4 | C17 | C19 | 108.9° | 109.5° |
| O4 | C17 | C20 | 109.5° | 109.5° |
| C18 | C17 | C19 | 107.6° | 109.5° |
| C18 | C17 | C20 | 109.3° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C19 | C17 | C20 | 109.1° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.5° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.4° |
| C17 | C20 | H202 | 109.4° | 109.5° |
| O | C1 | N | 123.9° | 120.0° |
| C1 | N | C2 | 124.7° | 120.0° |
| C1 | N | HN | 117.7° | 120.0° |
| N | C2 | C11 | 107.7° | 109.5° |
| N | C2 | C3 | 113.7° | 109.5° |
| C2 | N | HN | 117.7° | 120.0° |
| N | C2 | H2 | 109.8° | 109.5° |
| C11 | C2 | C3 | 107.8° | 109.5° |
| C2 | C11 | C12 | 114.9° | 109.5° |
| C2 | C11 | H111 | 108.1° | 109.4° |
| C2 | C11 | H112 | 108.1° | 109.4° |
| C11 | C2 | H2 | 108.7° | 109.4° |
| C2 | C3 | O1 | 120.1° | 120.0° |
| C2 | C3 | N1 | 117.0° | 120.0° |
| C3 | C2 | H2 | 109.0° | 109.4° |
| C11 | C12 | C21 | 107.8° | 109.5° |
| C11 | C12 | C25 | 111.6° | 109.5° |
| C12 | C11 | H111 | 108.1° | 109.5° |
| C12 | C11 | H112 | 108.1° | 109.5° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| C21 | C12 | C25 | 110.3° | 109.5° |
| C12 | C21 | C22 | 114.6° | 109.5° |
| C21 | C12 | H12 | 109.1° | 109.5° |
| C12 | C21 | H212 | 108.2° | 109.4° |
| C12 | C21 | H211 | 108.2° | 109.4° |
| C12 | C25 | C24 | 111.3° | 109.5° |
| C25 | C12 | H12 | 109.0° | 109.4° |
| C12 | C25 | H251 | 109.0° | 109.5° |
| C12 | C25 | H252 | 109.0° | 109.4° |
| C21 | C22 | C23 | 110.1° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| C22 | C21 | H211 | 108.1° | 109.5° |
| C21 | C22 | H221 | 109.3° | 109.4° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | C24 | 108.7° | 109.5° |
| C23 | C22 | H221 | 109.3° | 109.5° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | H231 | 109.7° | 109.5° |
| C22 | C23 | H232 | 109.6° | 109.5° |
| C23 | C24 | C25 | 110.1° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.5° |
| C24 | C23 | H232 | 109.7° | 109.5° |
| C23 | C24 | H241 | 109.3° | 109.4° |
| C23 | C24 | H242 | 109.3° | 109.5° |
| C25 | C24 | H241 | 109.3° | 109.5° |
| C25 | C24 | H242 | 109.3° | 109.5° |
| C24 | C25 | H251 | 109.0° | 109.5° |
| C24 | C25 | H252 | 109.0° | 109.5° |
| O1 | C3 | N1 | 122.9° | 120.0° |
| C3 | N1 | C4 | 123.5° | 120.0° |
| C3 | N1 | HN1 | 118.3° | 120.0° |
| N1 | C4 | C5 | 110.1° | 109.5° |
| N1 | C4 | C6 | 109.3° | 109.4° |
| N1 | C4 | H4 | 109.4° | 109.5° |
| C4 | N1 | HN1 | 118.2° | 120.0° |
| C5 | C4 | C6 | 111.1° | 109.5° |
| C4 | C5 | N4 | 121.3° | 120.0° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C4 | C5 | H5 | 119.3° | 120.0° |
| C4 | C6 | C7 | 108.9° | 109.5° |
| C6 | C4 | H4 | 108.4° | 109.5° |
| C4 | C6 | H62 | 109.6° | 109.5° |
| C4 | C6 | H61 | 109.6° | 109.4° |
| N4 | C5 | H5 | 119.4° | 120.0° |
| C5 | N4 | HN4 | 112.0° | 120.0° |
| C6 | C7 | C10 | 113.5° | 110.5° |
| C6 | C7 | C8 | 110.7° | 110.5° |
| C7 | C6 | H62 | 109.6° | 109.5° |
| C7 | C6 | H61 | 109.6° | 109.4° |
| C6 | C7 | H7 | 109.5° | 110.4° |
| C10 | C7 | C8 | 103.6° | 104.2° |
| C7 | C10 | O3 | 122.6° | 125.0° |
| C7 | C10 | N2 | 111.3° | 110.1° |
| C10 | C7 | H7 | 109.9° | 110.5° |
| C7 | C8 | C9 | 106.3° | 101.8° |
| C8 | C7 | H7 | 109.5° | 110.7° |
| C7 | C8 | H82 | 110.3° | 111.0° |
| C7 | C8 | H81 | 110.3° | 111.0° |
| O3 | C10 | N2 | 126.0° | 124.9° |
| C10 | N2 | C9 | 113.0° | 111.3° |
| C10 | N2 | HN2 | 123.5° | 124.4° |
| C8 | C9 | N2 | 104.9° | 105.4° |
| C9 | C8 | H82 | 110.2° | 111.0° |
| C9 | C8 | H81 | 110.3° | 111.0° |
| C8 | C9 | H92 | 110.6° | 110.3° |
| C8 | C9 | H91 | 110.6° | 110.3° |
| N2 | C9 | H92 | 110.6° | 110.3° |
| N2 | C9 | H91 | 110.6° | 110.3° |
| C9 | N2 | HN2 | 123.5° | 124.3° |
| F17 | C16 | F18 | 108.5° | 109.5° |
| F17 | C16 | F19 | 108.8° | 109.5° |
| F18 | C16 | F19 | 108.3° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H82 | C8 | H81 | 109.5° | 110.8° |
| H92 | C9 | H91 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C15 | N3 | C16 | 179.7° | 179.9° |
| O6 | C15 | N3 | C | 13.0° | 5.0° |
| O6 | C15 | C16 | F17 | 13.3° | 120.0° |
| O6 | C15 | C16 | F18 | 107.1° | 120.0° |
| O6 | C15 | C16 | F19 | 133.3° | 0.0° |
| O6 | C15 | N3 | HN3 | 166.9° | 175.0° |
| C15 | N3 | C | HN3 | 180.0° | 180.0° |
| C15 | N3 | C | C13 | 132.3° | 156.6° |
| C15 | N3 | C | C1 | 102.4° | 83.4° |
| N3 | C15 | C16 | F17 | 166.4° | 60.0° |
| N3 | C15 | C16 | F18 | 73.3° | 60.0° |
| N3 | C15 | C16 | F19 | 46.3° | 180.0° |
| C15 | N3 | C | H0 | 15.2° | 36.6° |
| C16 | C15 | N3 | C | 166.6° | 175.0° |
| C15 | C16 | F17 | F18 | 121.8° | 119.9° |
| C15 | C16 | F17 | F19 | 120.6° | 120.0° |
| C15 | C16 | F18 | F19 | 120.5° | 120.0° |
| C16 | C15 | N3 | HN3 | 13.4° | 5.0° |
| N3 | C | C13 | C1 | 125.5° | 120.0° |
| N3 | C | C13 | H0 | 117.6° | 120.0° |
| N3 | C | C1 | H0 | 118.0° | 120.0° |
| N3 | C | C13 | C14 | 164.3° | 59.5° |
| N3 | C | C13 | O4 | 41.4° | 60.5° |
| N3 | C | C1 | O | 67.8° | 20.0° |
| N3 | C | C1 | N | 110.9° | 160.0° |
| N3 | C | C13 | H13 | 77.7° | 179.5° |
| C13 | C | C1 | H0 | 116.7° | 120.0° |
| C | C13 | C14 | O4 | 120.9° | 120.0° |
| C | C13 | C14 | H13 | 118.1° | 120.0° |
| C | C13 | O4 | H13 | 118.4° | 120.0° |
| C | C13 | O4 | C17 | 150.3° | 140.9° |
| C13 | C | C1 | O | 57.6° | 100.0° |
| C13 | C | C1 | N | 123.7° | 80.0° |
| C | C13 | C14 | H142 | 180.0° | 175.1° |
| C | C13 | C14 | H141 | 60.0° | 55.0° |
| C | C13 | C14 | H143 | 60.0° | 65.0° |
| C13 | C | N3 | HN3 | 47.7° | 23.4° |
| C1 | C | C13 | C14 | 70.2° | 179.5° |
| C1 | C | C13 | O4 | 167.0° | 59.5° |
| C | C1 | O | N | 178.6° | 179.9° |
| C | C1 | N | C2 | 159.9° | 175.4° |
| C | C1 | N | HN | 20.0° | 4.9° |
| C1 | C | C13 | H13 | 47.9° | 60.5° |
| C1 | C | N3 | HN3 | 77.6° | 96.6° |
| C14 | C13 | O4 | H13 | 120.3° | 120.0° |
| C14 | C13 | O4 | C17 | 88.5° | 99.2° |
| C14 | C13 | C | H0 | 46.6° | 60.5° |
| C13 | C14 | H142 | H141 | 120.0° | 120.1° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | O4 | C17 | C18 | 22.9° | 54.7° |
| C13 | O4 | C17 | C19 | 141.9° | 65.3° |
| C13 | O4 | C17 | C20 | 98.8° | 174.8° |
| O4 | C13 | C | H0 | 76.2° | 179.5° |
| O4 | C13 | C14 | H142 | 59.1° | 64.9° |
| O4 | C13 | C14 | H141 | 179.1° | 175.0° |
| O4 | C13 | C14 | H143 | 60.9° | 55.0° |
| O4 | C17 | C18 | C19 | 119.8° | 120.0° |
| O4 | C17 | C18 | C20 | 121.8° | 120.0° |
| O4 | C17 | C19 | C20 | 119.4° | 120.0° |
| C17 | O4 | C13 | H13 | 31.9° | 20.8° |
| O4 | C17 | C18 | H181 | 180.0° | 57.9° |
| O4 | C17 | C18 | H183 | 60.0° | 177.9° |
| O4 | C17 | C18 | H182 | 60.0° | 62.0° |
| O4 | C17 | C19 | H191 | 180.0° | 60.0° |
| O4 | C17 | C19 | H192 | 60.0° | 180.0° |
| O4 | C17 | C19 | H193 | 60.0° | 60.0° |
| O4 | C17 | C20 | H201 | 180.0° | 60.0° |
| O4 | C17 | C20 | H203 | 60.0° | 180.0° |
| O4 | C17 | C20 | H202 | 60.0° | 60.0° |
| C18 | C17 | C19 | C20 | 118.5° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.1° |
| C18 | C17 | C19 | H191 | 57.9° | 60.0° |
| C18 | C17 | C19 | H192 | 177.9° | 60.0° |
| C18 | C17 | C19 | H193 | 62.1° | 180.0° |
| C18 | C17 | C20 | H201 | 56.4° | 180.0° |
| C18 | C17 | C20 | H203 | 63.6° | 60.0° |
| C18 | C17 | C20 | H202 | 176.4° | 60.0° |
| C19 | C17 | C18 | H181 | 60.2° | 177.9° |
| C19 | C17 | C18 | H183 | 59.8° | 62.1° |
| C19 | C17 | C18 | H182 | 179.8° | 58.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C17 | C20 | H201 | 60.9° | 60.0° |
| C19 | C17 | C20 | H203 | 179.0° | 60.0° |
| C19 | C17 | C20 | H202 | 59.0° | 180.0° |
| C20 | C17 | C18 | H181 | 58.2° | 62.1° |
| C20 | C17 | C18 | H183 | 178.2° | 57.9° |
| C20 | C17 | C18 | H182 | 61.8° | 178.0° |
| C20 | C17 | C19 | H191 | 60.5° | 180.0° |
| C20 | C17 | C19 | H192 | 59.4° | 60.0° |
| C20 | C17 | C19 | H193 | 179.4° | 60.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.0° |
| C17 | C20 | H201 | H202 | 120.0° | 120.0° |
| C17 | C20 | H203 | H202 | 120.0° | 120.0° |
| O | C1 | N | C2 | 21.4° | 4.5° |
| O | C1 | N | HN | 158.6° | 175.2° |
| O | C1 | C | H0 | 174.3° | 140.0° |
| C1 | N | C2 | HN | 180.0° | 179.7° |
| C1 | N | C2 | C11 | 161.0° | 87.0° |
| C1 | N | C2 | C3 | 41.7° | 153.0° |
| N | C1 | C | H0 | 7.0° | 40.0° |
| C1 | N | C2 | H2 | 80.8° | 33.0° |
| N | C2 | C11 | C3 | 123.0° | 120.1° |
| N | C2 | C11 | H2 | 118.9° | 120.0° |
| N | C2 | C3 | H2 | 122.9° | 120.0° |
| N | C2 | C11 | C12 | 94.0° | 173.8° |
| N | C2 | C3 | O1 | 51.3° | 25.7° |
| N | C2 | C3 | N1 | 129.6° | 154.3° |
| N | C2 | C11 | H111 | 26.8° | 66.2° |
| N | C2 | C11 | H112 | 145.2° | 53.7° |
| C11 | C2 | C3 | H2 | 117.9° | 119.9° |
| C2 | C11 | C12 | H111 | 120.8° | 119.9° |
| C2 | C11 | C12 | H112 | 120.8° | 120.0° |
| C2 | C11 | C12 | C21 | 146.2° | 174.2° |
| C2 | C11 | C12 | C25 | 25.1° | 65.8° |
| C11 | C2 | C3 | O1 | 67.9° | 94.4° |
| C11 | C2 | C3 | N1 | 111.2° | 85.6° |
| C11 | C2 | N | HN | 19.0° | 92.7° |
| C2 | C11 | H111 | H112 | 117.5° | 119.9° |
| C2 | C11 | C12 | H12 | 95.5° | 54.2° |
| C3 | C2 | C11 | C12 | 143.0° | 66.2° |
| C2 | C3 | O1 | N1 | 179.0° | 180.0° |
| C2 | C3 | N1 | C4 | 166.2° | 175.0° |
| C3 | C2 | N | HN | 138.3° | 27.4° |
| C3 | C2 | C11 | H111 | 96.2° | 53.8° |
| C3 | C2 | C11 | H112 | 22.3° | 173.8° |
| C2 | C3 | N1 | HN1 | 13.8° | 5.0° |
| C11 | C12 | C21 | C25 | 122.0° | 120.0° |
| C11 | C12 | C21 | H12 | 118.3° | 120.0° |
| C11 | C12 | C25 | H12 | 120.5° | 120.0° |
| C11 | C12 | C21 | C22 | 171.9° | 180.0° |
| C11 | C12 | C25 | C24 | 171.9° | 180.0° |
| C12 | C11 | H111 | H112 | 117.5° | 120.1° |
| C12 | C11 | C2 | H2 | 25.0° | 53.8° |
| C11 | C12 | C21 | H212 | 51.2° | 60.0° |
| C11 | C12 | C21 | H211 | 67.3° | 60.0° |
| C11 | C12 | C25 | H251 | 67.8° | 60.0° |
| C11 | C12 | C25 | H252 | 51.6° | 60.0° |
| C21 | C12 | C25 | H12 | 119.7° | 120.0° |
| C12 | C21 | C22 | H212 | 120.8° | 120.0° |
| C12 | C21 | C22 | H211 | 120.8° | 120.0° |
| C12 | C21 | C22 | C23 | 53.7° | 60.0° |
| C21 | C12 | C25 | C24 | 52.2° | 60.0° |
| C21 | C12 | C11 | H111 | 25.4° | 54.3° |
| C21 | C12 | C11 | H112 | 93.0° | 65.8° |
| C12 | C21 | H212 | H211 | 117.7° | 119.9° |
| C12 | C21 | C22 | H221 | 173.8° | 180.0° |
| C12 | C21 | C22 | H222 | 66.4° | 60.0° |
| C21 | C12 | C25 | H251 | 172.4° | 180.0° |
| C21 | C12 | C25 | H252 | 68.1° | 60.0° |
| C25 | C12 | C21 | C22 | 49.9° | 60.0° |
| C12 | C25 | C24 | C23 | 60.1° | 60.0° |
| C12 | C25 | C24 | H251 | 120.3° | 120.0° |
| C12 | C25 | C24 | H252 | 120.3° | 120.0° |
| C25 | C12 | C11 | H111 | 95.8° | 174.3° |
| C25 | C12 | C11 | H112 | 145.8° | 54.2° |
| C25 | C12 | C21 | H212 | 70.8° | 60.0° |
| C25 | C12 | C21 | H211 | 170.7° | 180.0° |
| C12 | C25 | C24 | H241 | 179.9° | 180.0° |
| C12 | C25 | C24 | H242 | 60.0° | 60.1° |
| C12 | C25 | H251 | H252 | 119.1° | 120.0° |
| C21 | C22 | C23 | H221 | 120.1° | 120.0° |
| C21 | C22 | C23 | H222 | 120.1° | 120.0° |
| C21 | C22 | C23 | C24 | 58.4° | 60.0° |
| C22 | C21 | C12 | H12 | 69.8° | 60.0° |
| C22 | C21 | H212 | H211 | 117.6° | 120.1° |
| C21 | C22 | H221 | H222 | 119.7° | 120.0° |
| C21 | C22 | C23 | H231 | 61.4° | 60.0° |
| C21 | C22 | C23 | H232 | 178.3° | 180.0° |
| C22 | C23 | C24 | H231 | 119.9° | 120.0° |
| C22 | C23 | C24 | H232 | 119.9° | 120.0° |
| C22 | C23 | C24 | C25 | 62.6° | 60.0° |
| C23 | C22 | C21 | H212 | 67.1° | 60.0° |
| C23 | C22 | C21 | H211 | 174.4° | 180.0° |
| C23 | C22 | H221 | H222 | 119.7° | 120.0° |
| C22 | C23 | H231 | H232 | 120.3° | 120.0° |
| C22 | C23 | C24 | H241 | 177.4° | 180.0° |
| C22 | C23 | C24 | H242 | 57.5° | 60.0° |
| C23 | C24 | C25 | H241 | 120.1° | 119.9° |
| C23 | C24 | C25 | H242 | 120.1° | 120.1° |
| C24 | C23 | C22 | H221 | 178.5° | 180.0° |
| C24 | C23 | C22 | H222 | 61.7° | 60.0° |
| C24 | C23 | H231 | H232 | 120.4° | 120.0° |
| C23 | C24 | H241 | H242 | 119.7° | 120.0° |
| C23 | C24 | C25 | H251 | 179.7° | 180.0° |
| C23 | C24 | C25 | H252 | 60.2° | 60.0° |
| C24 | C25 | C12 | H12 | 67.6° | 60.0° |
| C25 | C24 | C23 | H231 | 57.3° | 60.0° |
| C25 | C24 | C23 | H232 | 177.6° | 180.0° |
| C25 | C24 | H241 | H242 | 119.7° | 120.0° |
| C24 | C25 | H251 | H252 | 119.2° | 120.0° |
| O1 | C3 | N1 | C4 | 12.8° | 4.9° |
| O1 | C3 | C2 | H2 | 174.3° | 145.7° |
| O1 | C3 | N1 | HN1 | 167.2° | 175.0° |
| C3 | N1 | C4 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C4 | C5 | 124.3° | 85.0° |
| C3 | N1 | C4 | C6 | 113.4° | 155.1° |
| N1 | C3 | C2 | H2 | 6.7° | 34.3° |
| C3 | N1 | C4 | H4 | 5.0° | 35.0° |
| N1 | C4 | C5 | C6 | 121.2° | 120.0° |
| N1 | C4 | C5 | H4 | 119.7° | 120.0° |
| N1 | C4 | C6 | H4 | 119.1° | 120.0° |
| N1 | C4 | C5 | N4 | 174.4° | 0.0° |
| N1 | C4 | C6 | C7 | 59.4° | 65.0° |
| N1 | C4 | C5 | H5 | 5.6° | 180.0° |
| N1 | C4 | C6 | H62 | 60.5° | 55.0° |
| N1 | C4 | C6 | H61 | 179.3° | 175.1° |
| C5 | C4 | C6 | H4 | 119.2° | 120.0° |
| C4 | C5 | N4 | H5 | 180.0° | 180.0° |
| C5 | C4 | C6 | C7 | 178.8° | 175.0° |
| C5 | C4 | C6 | H62 | 61.3° | 65.0° |
| C5 | C4 | C6 | H61 | 58.9° | 55.1° |
| C5 | C4 | N1 | HN1 | 55.7° | 95.0° |
| C4 | C5 | N4 | HN4 | 180.0° | 180.0° |
| C6 | C4 | C5 | N4 | 64.4° | 120.0° |
| C4 | C6 | C7 | H62 | 119.9° | 120.0° |
| C4 | C6 | C7 | H61 | 119.9° | 119.9° |
| C4 | C6 | C7 | C10 | 175.7° | 66.5° |
| C4 | C6 | C7 | C8 | 68.3° | 178.8° |
| C6 | C4 | C5 | H5 | 115.6° | 60.0° |
| C4 | C6 | H62 | H61 | 120.3° | 120.0° |
| C4 | C6 | C7 | H7 | 52.5° | 56.0° |
| C6 | C4 | N1 | HN1 | 66.6° | 25.0° |
| N4 | C5 | C4 | H4 | 54.7° | 120.0° |
| C6 | C7 | C10 | C8 | 120.1° | 118.7° |
| C6 | C7 | C10 | H7 | 123.0° | 122.5° |
| C6 | C7 | C8 | H7 | 120.8° | 122.6° |
| C6 | C7 | C10 | O3 | 53.8° | 77.8° |
| C6 | C7 | C10 | N2 | 127.1° | 102.4° |
| C6 | C7 | C8 | C9 | 131.3° | 93.8° |
| C7 | C6 | C4 | H4 | 59.7° | 55.0° |
| C7 | C6 | H62 | H61 | 120.3° | 120.0° |
| C6 | C7 | C8 | H82 | 11.8° | 24.3° |
| C6 | C7 | C8 | H81 | 109.2° | 148.0° |
| C10 | C7 | C8 | H7 | 117.1° | 118.8° |
| C7 | C10 | O3 | N2 | 179.0° | 179.7° |
| C10 | C7 | C8 | C9 | 9.2° | 24.8° |
| C7 | C10 | N2 | C9 | 1.6° | 0.4° |
| C10 | C7 | C6 | H62 | 55.8° | 53.6° |
| C10 | C7 | C6 | H61 | 64.4° | 173.6° |
| C10 | C7 | C8 | H82 | 110.2° | 142.9° |
| C10 | C7 | C8 | H81 | 128.8° | 93.4° |
| C7 | C10 | N2 | HN2 | 178.4° | 179.6° |
| C8 | C7 | C10 | O3 | 173.9° | 163.5° |
| C8 | C7 | C10 | N2 | 7.0° | 16.2° |
| C7 | C8 | C9 | H82 | 119.5° | 118.1° |
| C7 | C8 | C9 | H81 | 119.5° | 118.2° |
| C7 | C8 | C9 | N2 | 8.5° | 25.4° |
| C8 | C7 | C6 | H62 | 171.8° | 61.2° |
| C8 | C7 | C6 | H61 | 51.6° | 58.8° |
| C7 | C8 | H82 | H81 | 121.5° | 123.7° |
| C7 | C8 | C9 | H92 | 127.8° | 93.6° |
| C7 | C8 | C9 | H91 | 110.7° | 144.5° |
| O3 | C10 | N2 | C9 | 179.3° | 179.9° |
| O3 | C10 | C7 | H7 | 69.2° | 44.6° |
| O3 | C10 | N2 | HN2 | 0.7° | 0.1° |
| C10 | N2 | C9 | C8 | 4.5° | 17.0° |
| C10 | N2 | C9 | HN2 | 180.0° | 180.0° |
| N2 | C10 | C7 | H7 | 109.9° | 135.1° |
| C10 | N2 | C9 | H92 | 123.8° | 102.0° |
| C10 | N2 | C9 | H91 | 114.8° | 136.1° |
| C8 | C9 | N2 | H92 | 119.3° | 119.0° |
| C8 | C9 | N2 | H91 | 119.2° | 119.1° |
| C9 | C8 | C7 | H7 | 107.9° | 143.6° |
| C9 | C8 | H82 | H81 | 121.5° | 123.8° |
| C8 | C9 | H92 | H91 | 122.1° | 122.0° |
| C8 | C9 | N2 | HN2 | 175.5° | 163.0° |
| N2 | C9 | C8 | H82 | 111.0° | 143.6° |
| N2 | C9 | C8 | H81 | 128.0° | 92.7° |
| N2 | C9 | H92 | H91 | 122.2° | 122.0° |
| F17 | C16 | F18 | F19 | 118.0° | 120.1° |
| HN | N | C2 | H2 | 99.3° | 147.4° |
| H0 | C | C13 | H13 | 164.7° | 59.4° |
| H0 | C | N3 | HN3 | 164.8° | 143.4° |
| H111 | C11 | C12 | H12 | 143.7° | 65.8° |
| H111 | C11 | C2 | H2 | 145.8° | 173.8° |
| H112 | C11 | C12 | H12 | 25.3° | 174.2° |
| H112 | C11 | C2 | H2 | 95.8° | 66.3° |
| H12 | C12 | C21 | H212 | 169.5° | 180.0° |
| H12 | C12 | C21 | H211 | 50.9° | 60.0° |
| H12 | C12 | C25 | H251 | 52.7° | 60.0° |
| H12 | C12 | C25 | H252 | 172.2° | 180.0° |
| H13 | C13 | C14 | H142 | 61.9° | 55.1° |
| H13 | C13 | C14 | H141 | 58.1° | 65.0° |
| H13 | C13 | C14 | H143 | 178.0° | 175.1° |
| H142 | C14 | H141 | H143 | 120.0° | 119.9° |
| H181 | C18 | H183 | H182 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H203 | H202 | 120.0° | 120.0° |
| H212 | C21 | C22 | H221 | 53.0° | 60.0° |
| H212 | C21 | C22 | H222 | 172.8° | 180.0° |
| H211 | C21 | C22 | H221 | 65.5° | 60.0° |
| H211 | C21 | C22 | H222 | 54.3° | 60.0° |
| H221 | C22 | C23 | H231 | 58.6° | 60.0° |
| H221 | C22 | C23 | H232 | 61.6° | 60.0° |
| H222 | C22 | C23 | H231 | 178.5° | 180.0° |
| H222 | C22 | C23 | H232 | 58.2° | 60.0° |
| H231 | C23 | C24 | H241 | 62.8° | 60.0° |
| H231 | C23 | C24 | H242 | 177.4° | 180.0° |
| H232 | C23 | C24 | H241 | 57.5° | 60.0° |
| H232 | C23 | C24 | H242 | 62.4° | 59.9° |
| H241 | C24 | C25 | H251 | 59.6° | 60.0° |
| H241 | C24 | C25 | H252 | 59.9° | 60.0° |
| H242 | C24 | C25 | H251 | 60.3° | 60.0° |
| H242 | C24 | C25 | H252 | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 125.3° | 60.0° |
| H4 | C4 | C6 | H62 | 179.6° | 175.0° |
| H4 | C4 | C6 | H61 | 60.2° | 64.9° |
| H4 | C4 | N1 | HN1 | 174.9° | 145.0° |
| H5 | C5 | N4 | HN4 | 0.0° | 0.0° |
| H62 | C6 | C7 | H7 | 67.4° | 176.1° |
| H61 | C6 | C7 | H7 | 172.4° | 63.9° |
| H7 | C7 | C8 | H82 | 132.6° | 98.3° |
| H7 | C7 | C8 | H81 | 11.6° | 25.4° |
| H82 | C8 | C9 | H92 | 8.3° | 24.5° |
| H82 | C8 | C9 | H91 | 129.8° | 97.4° |
| H81 | C8 | C9 | H92 | 112.7° | 148.2° |
| H81 | C8 | C9 | H91 | 8.8° | 26.3° |
| H92 | C9 | N2 | HN2 | 56.2° | 78.0° |
| H91 | C9 | N2 | HN2 | 65.2° | 43.9° |
