A1ARI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N2 | sing | 1.34Å | 1.33Å | |
| C10 | C7 | sing | 1.51Å | 1.50Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| N1 | C3 | sing | 1.35Å | 1.32Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C12 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| O | C1 | doub | 1.21Å | 1.24Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C | N3 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | O4 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| C15 | O6 | doub | 1.22Å | 1.22Å | |
| O5 | C15 | sing | 1.35Å | 1.45Å | |
| C16 | O5 | sing | 1.45Å | 1.43Å | |
| C26 | C16 | sing | 1.53Å | 1.52Å | |
| C27 | C16 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | 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 | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | 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 | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | N2 | 125.2° | 125.0° |
| O3 | C10 | C7 | 123.6° | 124.9° |
| N2 | C10 | C7 | 111.2° | 110.1° |
| C10 | N2 | C9 | 112.9° | 111.3° |
| C10 | N2 | HN2 | 123.5° | 124.4° |
| C10 | C7 | C8 | 102.7° | 104.2° |
| C10 | C7 | C6 | 112.6° | 110.5° |
| C10 | C7 | H7 | 110.0° | 110.5° |
| N2 | C9 | C8 | 104.3° | 105.5° |
| N2 | C9 | H92 | 110.8° | 110.3° |
| N2 | C9 | H91 | 110.8° | 110.4° |
| C9 | N2 | HN2 | 123.6° | 124.3° |
| C9 | C8 | C7 | 105.3° | 101.7° |
| C9 | C8 | H82 | 110.5° | 110.9° |
| C9 | C8 | H81 | 110.5° | 111.0° |
| C8 | C9 | H92 | 110.7° | 110.2° |
| C8 | C9 | H91 | 110.7° | 110.2° |
| C8 | C7 | C6 | 112.4° | 110.5° |
| C8 | C7 | H7 | 109.5° | 110.6° |
| C7 | C8 | H82 | 110.5° | 111.0° |
| C7 | C8 | H81 | 110.5° | 111.0° |
| C7 | C6 | C4 | 111.5° | 109.5° |
| C7 | C6 | H61 | 108.9° | 109.4° |
| C7 | C6 | H62 | 109.0° | 109.5° |
| C6 | C7 | H7 | 109.5° | 110.4° |
| C6 | C4 | C5 | 115.0° | 109.4° |
| C6 | C4 | N1 | 109.8° | 109.5° |
| C6 | C4 | H4 | 107.8° | 109.5° |
| C4 | C6 | H61 | 109.0° | 109.5° |
| C4 | C6 | H62 | 109.0° | 109.5° |
| C5 | C4 | N1 | 107.4° | 109.5° |
| C4 | C5 | O2 | 112.9° | 109.5° |
| C5 | C4 | H4 | 107.8° | 109.4° |
| C4 | C5 | H5 | 108.6° | 109.4° |
| C4 | C5 | H | 108.6° | 109.5° |
| C4 | N1 | C3 | 115.1° | 120.0° |
| N1 | C4 | H4 | 108.9° | 109.5° |
| C4 | N1 | HN1 | 122.4° | 120.0° |
| O2 | C5 | H5 | 108.6° | 109.5° |
| O2 | C5 | H | 108.6° | 109.5° |
| C5 | O2 | HO2 | 109.5° | 113.9° |
| N1 | C3 | O1 | 120.1° | 120.0° |
| N1 | C3 | C2 | 118.4° | 119.9° |
| C3 | N1 | HN1 | 122.5° | 120.0° |
| O1 | C3 | C2 | 121.4° | 120.0° |
| C3 | C2 | C11 | 111.6° | 109.5° |
| C3 | C2 | N | 109.4° | 109.4° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C11 | C2 | N | 108.8° | 109.4° |
| C2 | C11 | C12 | 114.9° | 109.4° |
| C2 | C11 | H111 | 108.1° | 109.5° |
| C2 | C11 | H112 | 108.1° | 109.5° |
| C11 | C2 | H2 | 108.5° | 109.5° |
| C2 | N | C1 | 119.7° | 120.0° |
| C2 | N | HN | 120.2° | 120.0° |
| N | C2 | H2 | 109.6° | 109.5° |
| C11 | C12 | C21 | 109.1° | 109.4° |
| C11 | C12 | C25 | 111.3° | 109.5° |
| C12 | C11 | H111 | 108.1° | 109.5° |
| C12 | C11 | H112 | 108.1° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.5° |
| C21 | C12 | C25 | 110.5° | 109.5° |
| C12 | C21 | C22 | 114.9° | 109.4° |
| C21 | C12 | H12 | 108.6° | 109.5° |
| C12 | C21 | H212 | 108.1° | 109.5° |
| C12 | C21 | H211 | 108.1° | 109.5° |
| C12 | C25 | C24 | 114.0° | 109.5° |
| C25 | C12 | H12 | 108.6° | 109.5° |
| C12 | C25 | H251 | 108.3° | 109.4° |
| C12 | C25 | H252 | 108.3° | 109.5° |
| C21 | C22 | C23 | 112.3° | 109.5° |
| C22 | C21 | H212 | 108.1° | 109.5° |
| C22 | C21 | H211 | 108.1° | 109.4° |
| C21 | C22 | H221 | 108.8° | 109.4° |
| C21 | C22 | H222 | 108.8° | 109.5° |
| C22 | C23 | C24 | 110.0° | 109.4° |
| C23 | C22 | H221 | 108.8° | 109.4° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C22 | C23 | H231 | 109.4° | 109.5° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| C23 | C24 | C25 | 110.9° | 109.5° |
| C24 | C23 | H231 | 109.3° | 109.4° |
| C24 | C23 | H232 | 109.3° | 109.4° |
| C23 | C24 | H241 | 109.1° | 109.5° |
| C23 | C24 | H242 | 109.1° | 109.4° |
| C25 | C24 | H241 | 109.1° | 109.5° |
| C25 | C24 | H242 | 109.1° | 109.5° |
| C24 | C25 | H251 | 108.3° | 109.5° |
| C24 | C25 | H252 | 108.3° | 109.5° |
| N | C1 | O | 122.5° | 120.0° |
| N | C1 | C | 115.0° | 120.0° |
| C1 | N | HN | 120.2° | 120.0° |
| O | C1 | C | 122.6° | 120.0° |
| C1 | C | C13 | 110.2° | 109.5° |
| C1 | C | N3 | 108.7° | 109.5° |
| C1 | C | H0 | 108.6° | 109.5° |
| C13 | C | N3 | 111.6° | 109.4° |
| C | C13 | C14 | 111.0° | 109.4° |
| C | C13 | O4 | 110.7° | 109.5° |
| C13 | C | H0 | 108.2° | 109.4° |
| C | C13 | H13 | 108.7° | 109.5° |
| C | N3 | C15 | 124.5° | 120.0° |
| N3 | C | H0 | 109.4° | 109.5° |
| C | N3 | HN3 | 117.8° | 120.0° |
| C14 | C13 | O4 | 107.8° | 109.5° |
| C14 | C13 | H13 | 108.6° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.4° | 109.5° |
| C13 | O4 | C17 | 118.1° | 114.0° |
| O4 | C13 | H13 | 110.1° | 109.5° |
| O4 | C17 | C18 | 108.6° | 109.5° |
| O4 | C17 | C19 | 108.0° | 109.5° |
| O4 | C17 | C20 | 113.6° | 109.5° |
| C18 | C17 | C19 | 110.1° | 109.5° |
| C18 | C17 | C20 | 109.6° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C19 | C17 | C20 | 107.0° | 109.4° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.5° | 109.4° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.4° | 109.4° |
| N3 | C15 | O6 | 124.7° | 120.0° |
| N3 | C15 | O5 | 116.3° | 120.0° |
| C15 | N3 | HN3 | 117.7° | 120.0° |
| O6 | C15 | O5 | 119.0° | 120.0° |
| C15 | O5 | C16 | 115.9° | 117.0° |
| O5 | C16 | C26 | 110.7° | 109.5° |
| O5 | C16 | C27 | 107.1° | 109.5° |
| O5 | C16 | H162 | 111.0° | 109.5° |
| C26 | C16 | C27 | 108.7° | 109.5° |
| C26 | C16 | H162 | 109.7° | 109.4° |
| C16 | C26 | H26 | 109.5° | 109.5° |
| C16 | C26 | H261 | 109.5° | 109.4° |
| C16 | C26 | H262 | 109.5° | 109.4° |
| C27 | C16 | H162 | 109.7° | 109.5° |
| C16 | C27 | H271 | 109.5° | 109.4° |
| C16 | C27 | H27 | 109.5° | 109.5° |
| C16 | C27 | H272 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.6° |
| 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° |
| H26 | C26 | H261 | 109.5° | 109.5° |
| H26 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H27 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H27 | C27 | H272 | 109.4° | 109.5° |
| H5 | C5 | H | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.4° | 109.4° |
| H82 | C8 | H81 | 109.5° | 110.9° |
| H92 | C9 | H91 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | N2 | C7 | 179.9° | 179.8° |
| O3 | C10 | N2 | C9 | 179.3° | 179.8° |
| O3 | C10 | C7 | C8 | 167.8° | 163.5° |
| O3 | C10 | C7 | C6 | 46.8° | 77.8° |
| O3 | C10 | C7 | H7 | 75.7° | 44.7° |
| O3 | C10 | N2 | HN2 | 0.8° | 0.3° |
| C10 | N2 | C9 | HN2 | 180.0° | 179.9° |
| C10 | N2 | C9 | C8 | 11.1° | 17.0° |
| N2 | C10 | C7 | C8 | 12.2° | 16.3° |
| N2 | C10 | C7 | C6 | 133.3° | 102.4° |
| N2 | C10 | C7 | H7 | 104.3° | 135.1° |
| C10 | N2 | C9 | H92 | 108.1° | 102.0° |
| C10 | N2 | C9 | H91 | 130.3° | 136.0° |
| C7 | C10 | N2 | C9 | 0.8° | 0.4° |
| C10 | C7 | C8 | C9 | 18.0° | 24.8° |
| C10 | C7 | C8 | C6 | 121.2° | 118.7° |
| C10 | C7 | C8 | H7 | 116.8° | 118.8° |
| C10 | C7 | C6 | H7 | 122.7° | 122.6° |
| C10 | C7 | C6 | C4 | 177.7° | 66.5° |
| C10 | C7 | C6 | H61 | 61.9° | 53.6° |
| C10 | C7 | C6 | H62 | 57.4° | 173.5° |
| C10 | C7 | C8 | H82 | 137.4° | 142.9° |
| C10 | C7 | C8 | H81 | 101.3° | 93.3° |
| C7 | C10 | N2 | HN2 | 179.2° | 179.5° |
| N2 | C9 | C8 | H92 | 119.2° | 119.0° |
| N2 | C9 | C8 | H91 | 119.2° | 119.1° |
| N2 | C9 | C8 | C7 | 18.0° | 25.4° |
| N2 | C9 | C8 | H82 | 137.3° | 143.5° |
| N2 | C9 | C8 | H81 | 101.4° | 92.7° |
| N2 | C9 | H92 | H91 | 122.4° | 122.1° |
| C9 | C8 | C7 | H82 | 119.3° | 118.1° |
| C9 | C8 | C7 | H81 | 119.3° | 118.1° |
| C9 | C8 | C7 | C6 | 139.2° | 93.9° |
| C9 | C8 | C7 | H7 | 98.8° | 143.6° |
| C9 | C8 | H82 | H81 | 122.0° | 123.8° |
| C8 | C9 | H92 | H91 | 122.3° | 121.9° |
| C8 | C9 | N2 | HN2 | 168.9° | 162.9° |
| C8 | C7 | C6 | H7 | 122.0° | 122.6° |
| C8 | C7 | C6 | C4 | 66.9° | 178.7° |
| C8 | C7 | C6 | H61 | 53.4° | 61.2° |
| C8 | C7 | C6 | H62 | 172.8° | 58.7° |
| C7 | C8 | H82 | H81 | 121.9° | 123.9° |
| C7 | C8 | C9 | H92 | 101.2° | 93.6° |
| C7 | C8 | C9 | H91 | 137.2° | 144.5° |
| C7 | C6 | C4 | H61 | 120.3° | 120.0° |
| C7 | C6 | C4 | H62 | 120.3° | 120.0° |
| C7 | C6 | C4 | C5 | 174.6° | 175.0° |
| C7 | C6 | C4 | N1 | 64.2° | 65.0° |
| C7 | C6 | C4 | H4 | 54.3° | 55.1° |
| C7 | C6 | H61 | H62 | 119.1° | 120.0° |
| C6 | C7 | C8 | H82 | 101.4° | 24.2° |
| C6 | C7 | C8 | H81 | 19.9° | 148.0° |
| C6 | C4 | C5 | N1 | 122.5° | 120.0° |
| C6 | C4 | C5 | H4 | 120.3° | 120.0° |
| C6 | C4 | N1 | H4 | 117.8° | 120.1° |
| C6 | C4 | C5 | O2 | 52.1° | 55.0° |
| C6 | C4 | N1 | C3 | 115.1° | 155.0° |
| C6 | C4 | C5 | H5 | 68.4° | 175.0° |
| C6 | C4 | C5 | H | 172.6° | 65.0° |
| C4 | C6 | H61 | H62 | 119.1° | 120.0° |
| C4 | C6 | C7 | H7 | 55.1° | 56.1° |
| C6 | C4 | N1 | HN1 | 64.8° | 25.0° |
| C5 | C4 | N1 | H4 | 116.5° | 120.0° |
| C4 | C5 | O2 | H5 | 120.5° | 120.0° |
| C4 | C5 | O2 | H | 120.5° | 120.1° |
| C5 | C4 | N1 | C3 | 119.1° | 85.0° |
| C4 | C5 | H5 | H | 118.5° | 120.0° |
| C5 | C4 | C6 | H61 | 54.3° | 65.0° |
| C5 | C4 | C6 | H62 | 65.1° | 55.0° |
| C5 | C4 | N1 | HN1 | 60.9° | 95.0° |
| C4 | C5 | O2 | HO2 | 180.0° | 180.0° |
| N1 | C4 | C5 | O2 | 174.7° | 65.0° |
| C4 | N1 | C3 | HN1 | 180.0° | 179.9° |
| C4 | N1 | C3 | O1 | 8.1° | 6.1° |
| C4 | N1 | C3 | C2 | 172.7° | 173.9° |
| N1 | C4 | C5 | H5 | 54.2° | 55.0° |
| N1 | C4 | C5 | H | 64.8° | 175.0° |
| N1 | C4 | C6 | H61 | 175.5° | 55.0° |
| N1 | C4 | C6 | H62 | 56.1° | 175.0° |
| O2 | C5 | C4 | H4 | 68.2° | 175.0° |
| O2 | C5 | H5 | H | 118.4° | 120.0° |
| N1 | C3 | O1 | C2 | 179.1° | 179.9° |
| N1 | C3 | C2 | C11 | 103.1° | 77.3° |
| N1 | C3 | C2 | N | 136.4° | 162.8° |
| N1 | C3 | C2 | H2 | 16.6° | 42.8° |
| C3 | N1 | C4 | H4 | 2.7° | 34.9° |
| O1 | C3 | C2 | C11 | 77.7° | 102.7° |
| O1 | C3 | C2 | N | 42.8° | 17.3° |
| O1 | C3 | C2 | H2 | 162.5° | 137.3° |
| O1 | C3 | N1 | HN1 | 171.9° | 173.9° |
| C3 | C2 | C11 | N | 120.8° | 120.0° |
| C3 | C2 | C11 | H2 | 119.9° | 120.0° |
| C3 | C2 | N | H2 | 119.3° | 120.0° |
| C3 | C2 | C11 | C12 | 136.0° | 61.1° |
| C3 | C2 | N | C1 | 65.6° | 154.1° |
| C3 | C2 | N | HN | 114.4° | 26.1° |
| C3 | C2 | C11 | H111 | 103.3° | 58.8° |
| C3 | C2 | C11 | H112 | 15.2° | 178.9° |
| C2 | C3 | N1 | HN1 | 7.3° | 6.0° |
| C11 | C2 | N | H2 | 118.5° | 120.0° |
| C2 | C11 | C12 | H111 | 120.8° | 120.0° |
| C2 | C11 | C12 | H112 | 120.8° | 120.0° |
| C2 | C11 | C12 | C21 | 142.3° | 174.0° |
| C2 | C11 | C12 | C25 | 20.1° | 66.1° |
| C11 | C2 | N | C1 | 172.3° | 85.8° |
| C11 | C2 | N | HN | 7.7° | 93.9° |
| C2 | C11 | H111 | H112 | 117.5° | 120.0° |
| C2 | C11 | C12 | H12 | 99.5° | 54.0° |
| N | C2 | C11 | C12 | 103.2° | 178.9° |
| C2 | N | C1 | HN | 180.0° | 179.8° |
| C2 | N | C1 | O | 1.6° | 4.7° |
| C2 | N | C1 | C | 178.7° | 175.3° |
| N | C2 | C11 | H111 | 17.6° | 61.1° |
| N | C2 | C11 | H112 | 136.0° | 59.0° |
| C11 | C12 | C21 | C25 | 122.7° | 120.0° |
| C11 | C12 | C21 | H12 | 118.2° | 120.0° |
| C11 | C12 | C25 | H12 | 119.5° | 120.0° |
| C11 | C12 | C21 | C22 | 178.9° | 180.0° |
| C11 | C12 | C25 | C24 | 145.3° | 180.0° |
| C12 | C11 | H111 | H112 | 117.5° | 120.0° |
| C12 | C11 | C2 | H2 | 16.0° | 58.9° |
| C11 | C12 | C21 | H212 | 58.1° | 60.0° |
| C11 | C12 | C21 | H211 | 60.3° | 60.0° |
| C11 | C12 | C25 | H251 | 94.0° | 60.0° |
| C11 | C12 | C25 | H252 | 24.7° | 59.9° |
| C21 | C12 | C25 | H12 | 119.1° | 120.0° |
| C12 | C21 | C22 | H212 | 120.8° | 120.1° |
| C12 | C21 | C22 | H211 | 120.8° | 120.0° |
| C12 | C21 | C22 | C23 | 25.6° | 60.1° |
| C21 | C12 | C25 | C24 | 24.0° | 60.1° |
| C21 | C12 | C11 | H111 | 21.5° | 54.0° |
| C21 | C12 | C11 | H112 | 97.0° | 66.1° |
| C12 | C21 | H212 | H211 | 117.5° | 120.1° |
| C12 | C21 | C22 | H221 | 146.0° | 180.0° |
| C12 | C21 | C22 | H222 | 94.8° | 60.0° |
| C21 | C12 | C25 | H251 | 144.6° | 180.0° |
| C21 | C12 | C25 | H252 | 96.7° | 60.0° |
| C25 | C12 | C21 | C22 | 56.2° | 60.0° |
| C12 | C25 | C24 | C23 | 34.4° | 60.0° |
| C12 | C25 | C24 | H251 | 120.7° | 119.9° |
| C12 | C25 | C24 | H252 | 120.7° | 120.1° |
| C25 | C12 | C11 | H111 | 100.7° | 174.0° |
| C25 | C12 | C11 | H112 | 140.9° | 53.9° |
| C25 | C12 | C21 | H212 | 64.5° | 60.0° |
| C25 | C12 | C21 | H211 | 177.1° | 180.0° |
| C12 | C25 | C24 | H241 | 85.8° | 180.0° |
| C12 | C25 | C24 | H242 | 154.6° | 60.0° |
| C12 | C25 | H251 | H252 | 117.9° | 120.0° |
| C21 | C22 | C23 | H221 | 120.4° | 119.9° |
| C21 | C22 | C23 | H222 | 120.4° | 120.0° |
| C21 | C22 | C23 | C24 | 34.1° | 60.0° |
| C22 | C21 | C12 | H12 | 62.8° | 60.0° |
| C22 | C21 | H212 | H211 | 117.5° | 119.9° |
| C21 | C22 | H221 | H222 | 118.7° | 120.0° |
| C21 | C22 | C23 | H231 | 154.2° | 59.9° |
| C21 | C22 | C23 | H232 | 86.0° | 180.0° |
| C22 | C23 | C24 | H231 | 120.1° | 120.0° |
| C22 | C23 | C24 | H232 | 120.1° | 120.0° |
| C22 | C23 | C24 | C25 | 66.0° | 60.0° |
| C23 | C22 | C21 | H212 | 95.2° | 60.0° |
| C23 | C22 | C21 | H211 | 146.4° | 180.0° |
| C23 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C23 | H231 | H232 | 119.8° | 120.1° |
| C22 | C23 | C24 | H241 | 54.2° | 180.0° |
| C22 | C23 | C24 | H242 | 173.8° | 60.0° |
| C23 | C24 | C25 | H241 | 120.2° | 120.0° |
| C23 | C24 | C25 | H242 | 120.2° | 120.0° |
| C24 | C23 | C22 | H221 | 86.3° | 179.9° |
| C24 | C23 | C22 | H222 | 154.6° | 60.0° |
| C24 | C23 | H231 | H232 | 119.7° | 119.9° |
| C23 | C24 | H241 | H242 | 119.3° | 119.9° |
| C23 | C24 | C25 | H251 | 86.3° | 180.0° |
| C23 | C24 | C25 | H252 | 155.1° | 60.0° |
| C24 | C25 | C12 | H12 | 95.1° | 60.0° |
| C25 | C24 | C23 | H231 | 173.9° | 60.0° |
| C25 | C24 | C23 | H232 | 54.1° | 180.0° |
| C25 | C24 | H241 | H242 | 119.3° | 120.1° |
| C24 | C25 | H251 | H252 | 118.0° | 120.0° |
| N | C1 | O | C | 179.7° | 180.0° |
| N | C1 | C | C13 | 118.0° | 60.0° |
| N | C1 | C | N3 | 119.4° | 180.0° |
| N | C1 | C | H0 | 0.5° | 59.9° |
| C1 | N | C2 | H2 | 53.7° | 34.2° |
| O | C1 | C | C13 | 62.3° | 120.0° |
| O | C1 | C | N3 | 60.3° | 0.0° |
| O | C1 | N | HN | 178.5° | 175.1° |
| O | C1 | C | H0 | 179.2° | 120.1° |
| C1 | C | C13 | N3 | 120.9° | 120.0° |
| C1 | C | C13 | H0 | 118.7° | 120.0° |
| C1 | C | N3 | H0 | 118.4° | 120.0° |
| C1 | C | C13 | C14 | 49.1° | 175.0° |
| C1 | C | C13 | O4 | 168.7° | 55.0° |
| C1 | C | N3 | C15 | 102.7° | 155.0° |
| C | C1 | N | HN | 1.2° | 4.9° |
| C1 | C | C13 | H13 | 70.3° | 65.0° |
| C1 | C | N3 | HN3 | 77.3° | 25.0° |
| C13 | C | N3 | H0 | 119.7° | 120.0° |
| C | C13 | C14 | O4 | 121.3° | 120.0° |
| C | C13 | C14 | H13 | 119.4° | 119.9° |
| C | C13 | O4 | H13 | 120.2° | 120.0° |
| C | C13 | O4 | C17 | 128.1° | 143.3° |
| C13 | C | N3 | C15 | 135.4° | 85.0° |
| C | C13 | C14 | H142 | 180.0° | 65.3° |
| C | C13 | C14 | H141 | 60.0° | 174.7° |
| C | C13 | C14 | H143 | 60.0° | 54.7° |
| C13 | C | N3 | HN3 | 44.6° | 95.0° |
| N3 | C | C13 | C14 | 170.0° | 55.0° |
| N3 | C | C13 | O4 | 70.4° | 65.0° |
| C | N3 | C15 | HN3 | 180.0° | 180.0° |
| C | N3 | C15 | O6 | 7.4° | 0.0° |
| C | N3 | C15 | O5 | 172.0° | 180.0° |
| N3 | C | C13 | H13 | 50.6° | 175.0° |
| C14 | C13 | O4 | H13 | 118.3° | 120.0° |
| C14 | C13 | O4 | C17 | 110.4° | 96.7° |
| C14 | C13 | C | H0 | 69.6° | 65.0° |
| C13 | C14 | H142 | H141 | 120.0° | 119.9° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | O4 | C17 | C18 | 76.9° | 55.2° |
| C13 | O4 | C17 | C19 | 163.8° | 64.8° |
| C13 | O4 | C17 | C20 | 45.3° | 175.2° |
| O4 | C13 | C | H0 | 50.0° | 175.0° |
| O4 | C13 | C14 | H142 | 58.7° | 54.6° |
| O4 | C13 | C14 | H141 | 178.7° | 65.3° |
| O4 | C13 | C14 | H143 | 61.3° | 174.7° |
| O4 | C17 | C18 | C19 | 118.0° | 120.0° |
| O4 | C17 | C18 | C20 | 124.6° | 120.0° |
| O4 | C17 | C19 | C20 | 122.6° | 120.0° |
| C17 | O4 | C13 | H13 | 8.0° | 23.3° |
| O4 | C17 | C18 | H182 | 180.0° | 57.4° |
| O4 | C17 | C18 | H183 | 60.0° | 177.4° |
| O4 | C17 | C18 | H181 | 60.0° | 62.7° |
| O4 | C17 | C19 | H191 | 180.0° | 60.1° |
| O4 | C17 | C19 | H192 | 60.0° | 180.0° |
| O4 | C17 | C19 | H193 | 60.0° | 60.0° |
| O4 | C17 | C20 | H201 | 180.0° | 59.9° |
| O4 | C17 | C20 | H203 | 60.0° | 180.0° |
| O4 | C17 | C20 | H202 | 60.0° | 60.0° |
| C18 | C17 | C19 | C20 | 119.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.1° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 61.6° | 60.0° |
| C18 | C17 | C19 | H192 | 178.4° | 60.0° |
| C18 | C17 | C19 | H193 | 58.4° | 180.0° |
| C18 | C17 | C20 | H201 | 58.4° | 180.0° |
| C18 | C17 | C20 | H203 | 61.6° | 60.0° |
| C18 | C17 | C20 | H202 | 178.4° | 60.0° |
| C19 | C17 | C18 | H182 | 62.0° | 177.4° |
| C19 | C17 | C18 | H183 | 58.0° | 62.6° |
| C19 | C17 | C18 | H181 | 178.0° | 57.3° |
| C17 | C19 | H191 | H192 | 120.0° | 119.9° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C17 | C20 | H201 | 61.0° | 60.0° |
| C19 | C17 | C20 | H203 | 179.0° | 60.0° |
| C19 | C17 | C20 | H202 | 59.0° | 179.9° |
| C20 | C17 | C18 | H182 | 55.4° | 62.6° |
| C20 | C17 | C18 | H183 | 175.4° | 57.3° |
| C20 | C17 | C18 | H181 | 64.6° | 177.3° |
| C20 | C17 | C19 | H191 | 57.4° | 180.0° |
| C20 | C17 | C19 | H192 | 62.6° | 60.0° |
| C20 | C17 | C19 | H193 | 177.4° | 60.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.0° |
| C17 | C20 | H201 | H202 | 120.0° | 119.9° |
| C17 | C20 | H203 | H202 | 120.0° | 120.0° |
| N3 | C15 | O6 | O5 | 179.4° | 180.0° |
| N3 | C15 | O5 | C16 | 163.4° | 180.0° |
| C15 | N3 | C | H0 | 15.7° | 35.0° |
| O6 | C15 | O5 | C16 | 17.1° | 0.0° |
| O6 | C15 | N3 | HN3 | 172.6° | 180.0° |
| C15 | O5 | C16 | C26 | 98.0° | 90.0° |
| C15 | O5 | C16 | C27 | 143.8° | 150.0° |
| C15 | O5 | C16 | H162 | 24.0° | 30.0° |
| O5 | C15 | N3 | HN3 | 8.0° | 0.0° |
| O5 | C16 | C26 | C27 | 117.3° | 120.0° |
| O5 | C16 | C26 | H162 | 122.8° | 120.0° |
| O5 | C16 | C27 | H162 | 120.6° | 120.0° |
| O5 | C16 | C26 | H26 | 180.0° | 180.0° |
| O5 | C16 | C26 | H261 | 60.0° | 60.0° |
| O5 | C16 | C26 | H262 | 60.0° | 60.0° |
| O5 | C16 | C27 | H271 | 180.0° | 60.0° |
| O5 | C16 | C27 | H27 | 60.0° | 180.0° |
| O5 | C16 | C27 | H272 | 60.0° | 60.0° |
| C26 | C16 | C27 | H162 | 119.9° | 120.0° |
| C16 | C26 | H26 | H261 | 120.0° | 120.0° |
| C16 | C26 | H26 | H262 | 120.0° | 120.0° |
| C16 | C26 | H261 | H262 | 120.0° | 120.0° |
| C26 | C16 | C27 | H271 | 60.4° | 180.0° |
| C26 | C16 | C27 | H27 | 179.5° | 60.0° |
| C26 | C16 | C27 | H272 | 59.6° | 60.0° |
| C27 | C16 | C26 | H26 | 62.7° | 60.0° |
| C27 | C16 | C26 | H261 | 57.3° | 180.0° |
| C27 | C16 | C26 | H262 | 177.3° | 60.0° |
| C16 | C27 | H271 | H27 | 120.0° | 120.0° |
| C16 | C27 | H271 | H272 | 120.0° | 120.0° |
| C16 | C27 | H27 | H272 | 120.0° | 120.0° |
| HN | N | C2 | H2 | 126.3° | 146.0° |
| H0 | C | C13 | H13 | 171.0° | 54.9° |
| H0 | C | N3 | HN3 | 164.3° | 145.0° |
| H111 | C11 | C12 | H12 | 139.7° | 66.0° |
| H111 | C11 | C2 | H2 | 136.8° | 178.9° |
| H112 | C11 | C12 | H12 | 21.3° | 174.0° |
| H112 | C11 | C2 | H2 | 104.8° | 61.1° |
| H12 | C12 | C21 | H212 | 176.4° | 180.0° |
| H12 | C12 | C21 | H211 | 58.0° | 59.9° |
| H12 | C12 | C25 | H251 | 25.5° | 60.0° |
| H12 | C12 | C25 | H252 | 144.2° | 180.0° |
| H13 | C13 | C14 | H142 | 60.6° | 174.7° |
| H13 | C13 | C14 | H141 | 59.4° | 54.8° |
| H13 | C13 | C14 | H143 | 179.4° | 65.2° |
| H142 | C14 | H141 | H143 | 120.0° | 120.1° |
| H162 | C16 | C26 | H26 | 57.2° | 60.0° |
| H162 | C16 | C26 | H261 | 177.2° | 60.0° |
| H162 | C16 | C26 | H262 | 62.8° | 180.0° |
| H162 | C16 | C27 | H271 | 59.4° | 60.0° |
| H162 | C16 | C27 | H27 | 60.6° | 60.0° |
| H162 | C16 | C27 | H272 | 179.5° | 180.0° |
| H182 | C18 | H183 | H181 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H201 | C20 | H203 | H202 | 120.0° | 120.0° |
| H212 | C21 | C22 | H221 | 25.2° | 59.9° |
| H212 | C21 | C22 | H222 | 144.4° | 180.0° |
| H211 | C21 | C22 | H221 | 93.2° | 60.1° |
| H211 | C21 | C22 | H222 | 26.0° | 60.0° |
| H221 | C22 | C23 | H231 | 33.8° | 60.0° |
| H221 | C22 | C23 | H232 | 153.6° | 60.1° |
| H222 | C22 | C23 | H231 | 85.4° | 180.0° |
| H222 | C22 | C23 | H232 | 34.5° | 60.0° |
| H231 | C23 | C24 | H241 | 65.9° | 60.0° |
| H231 | C23 | C24 | H242 | 53.7° | 180.0° |
| H232 | C23 | C24 | H241 | 174.3° | 59.9° |
| H232 | C23 | C24 | H242 | 66.1° | 60.0° |
| H241 | C24 | C25 | H251 | 153.5° | 60.0° |
| H241 | C24 | C25 | H252 | 34.9° | 60.0° |
| H242 | C24 | C25 | H251 | 34.0° | 60.0° |
| H242 | C24 | C25 | H252 | 84.7° | 180.0° |
| H26 | C26 | H261 | H262 | 120.0° | 120.0° |
| H271 | C27 | H27 | H272 | 120.0° | 120.1° |
| H4 | C4 | C5 | H5 | 171.4° | 65.0° |
| H4 | C4 | C5 | H | 52.4° | 55.0° |
| H4 | C4 | C6 | H61 | 66.0° | 175.1° |
| H4 | C4 | C6 | H62 | 174.6° | 64.9° |
| H4 | C4 | N1 | HN1 | 177.3° | 145.0° |
| H5 | C5 | O2 | HO2 | 59.5° | 60.0° |
| H | C5 | O2 | HO2 | 59.5° | 60.0° |
| H61 | C6 | C7 | H7 | 175.4° | 176.1° |
| H62 | C6 | C7 | H7 | 65.2° | 63.9° |
| H7 | C7 | C8 | H82 | 20.6° | 98.4° |
| H7 | C7 | C8 | H81 | 141.9° | 25.5° |
| H82 | C8 | C9 | H92 | 18.1° | 24.5° |
| H82 | C8 | C9 | H91 | 103.5° | 97.4° |
| H81 | C8 | C9 | H92 | 139.5° | 148.3° |
| H81 | C8 | C9 | H91 | 17.8° | 26.4° |
| H92 | C9 | N2 | HN2 | 71.9° | 78.1° |
| H91 | C9 | N2 | HN2 | 49.7° | 43.9° |
