A1ARH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O5 | sing | 1.45Å | 1.43Å | |
| C27 | C16 | sing | 1.51Å | 1.52Å | |
| O5 | C15 | sing | 1.35Å | 1.45Å | |
| O6 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C | sing | 1.47Å | 1.44Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O4 | C13 | sing | 1.43Å | 1.44Å | |
| 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 | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.34Å | |
| N | C2 | sing | 1.47Å | 1.45Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| 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 | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C4 | sing | 1.46Å | 1.45Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| O2 | C5 | doub | 1.21Å | 1.22Å | |
| C26 | C5 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C7 | C10 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C9 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C10 | sing | 1.34Å | 1.33Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| 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 | |
| C16 | H16 | 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 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | 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 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C16 | C27 | 109.7° | 109.5° |
| C16 | O5 | C15 | 119.0° | 116.9° |
| O5 | C16 | H162 | 109.4° | 109.5° |
| O5 | C16 | H16 | 109.4° | 109.5° |
| C16 | C27 | C28 | 120.2° | 120.0° |
| C16 | C27 | C32 | 119.7° | 120.0° |
| C27 | C16 | H162 | 109.4° | 109.4° |
| C27 | C16 | H16 | 109.4° | 109.5° |
| O5 | C15 | O6 | 118.4° | 120.1° |
| O5 | C15 | N3 | 116.9° | 119.9° |
| O6 | C15 | N3 | 124.7° | 120.0° |
| C15 | N3 | C | 122.9° | 120.0° |
| C15 | N3 | HN3 | 118.5° | 120.0° |
| N3 | C | C13 | 109.3° | 109.4° |
| N3 | C | C1 | 110.0° | 109.5° |
| N3 | C | H0 | 110.1° | 109.5° |
| C | N3 | HN3 | 118.6° | 120.0° |
| C13 | C | C1 | 109.3° | 109.5° |
| C | C13 | C14 | 109.0° | 109.5° |
| C | C13 | O4 | 110.0° | 109.5° |
| C13 | C | H0 | 108.9° | 109.5° |
| C | C13 | H13 | 108.6° | 109.5° |
| C | C1 | O | 120.4° | 120.0° |
| C | C1 | N | 116.6° | 120.0° |
| C1 | C | H0 | 109.3° | 109.5° |
| C14 | C13 | O4 | 110.9° | 109.5° |
| C14 | C13 | H13 | 108.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C13 | O4 | C17 | 117.4° | 114.0° |
| O4 | C13 | H13 | 109.7° | 109.4° |
| O4 | C17 | C18 | 111.0° | 109.5° |
| O4 | C17 | C19 | 111.2° | 109.5° |
| O4 | C17 | C20 | 107.6° | 109.4° |
| C18 | C17 | C19 | 109.6° | 109.5° |
| C18 | C17 | C20 | 108.6° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C19 | C17 | C20 | 108.8° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.4° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.4° | 109.5° |
| O | C1 | N | 123.0° | 120.0° |
| C1 | N | C2 | 120.9° | 120.0° |
| C1 | N | HN | 119.5° | 120.0° |
| N | C2 | C11 | 108.1° | 109.4° |
| N | C2 | C3 | 110.0° | 109.5° |
| C2 | N | HN | 119.6° | 120.0° |
| N | C2 | H2 | 109.6° | 109.5° |
| C11 | C2 | C3 | 111.8° | 109.5° |
| C2 | C11 | C12 | 115.5° | 109.4° |
| C2 | C11 | H111 | 107.9° | 109.4° |
| C2 | C11 | H112 | 107.9° | 109.5° |
| C11 | C2 | H2 | 108.5° | 109.5° |
| C2 | C3 | O1 | 121.3° | 120.0° |
| C2 | C3 | N1 | 117.9° | 120.0° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C11 | C12 | C21 | 109.2° | 109.4° |
| C11 | C12 | C25 | 112.9° | 109.5° |
| C12 | C11 | H111 | 107.9° | 109.5° |
| C12 | C11 | H112 | 107.9° | 109.5° |
| C11 | C12 | H12 | 108.1° | 109.5° |
| C21 | C12 | C25 | 110.0° | 109.5° |
| C12 | C21 | C22 | 114.1° | 109.5° |
| C21 | C12 | H12 | 108.2° | 109.5° |
| C12 | C21 | H211 | 108.3° | 109.5° |
| C12 | C21 | H212 | 108.3° | 109.5° |
| C12 | C25 | C24 | 112.2° | 109.5° |
| C25 | C12 | H12 | 108.2° | 109.5° |
| C12 | C25 | H252 | 108.8° | 109.5° |
| C12 | C25 | H251 | 108.8° | 109.4° |
| C21 | C22 | C23 | 111.6° | 109.5° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C22 | C21 | H212 | 108.3° | 109.4° |
| C21 | C22 | H221 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.9° | 109.5° |
| C22 | C23 | C24 | 111.7° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.5° |
| C23 | C22 | H222 | 108.9° | 109.4° |
| C22 | C23 | H231 | 108.9° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C23 | C24 | C25 | 112.9° | 109.5° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C24 | C23 | H232 | 108.9° | 109.5° |
| C23 | C24 | H241 | 108.6° | 109.5° |
| C23 | C24 | H242 | 108.6° | 109.5° |
| C25 | C24 | H241 | 108.6° | 109.5° |
| C25 | C24 | H242 | 108.6° | 109.5° |
| C24 | C25 | H252 | 108.8° | 109.5° |
| C24 | C25 | H251 | 108.8° | 109.5° |
| O1 | C3 | N1 | 120.8° | 120.0° |
| C3 | N1 | C4 | 120.3° | 120.0° |
| C3 | N1 | HN1 | 119.8° | 120.0° |
| N1 | C4 | C5 | 110.7° | 109.5° |
| N1 | C4 | C6 | 111.5° | 109.5° |
| N1 | C4 | H4 | 109.5° | 109.5° |
| C4 | N1 | HN1 | 119.8° | 120.0° |
| C5 | C4 | C6 | 107.6° | 109.4° |
| C4 | C5 | O2 | 119.7° | 120.0° |
| C4 | C5 | C26 | 117.9° | 120.0° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C4 | C6 | C7 | 110.4° | 109.4° |
| C6 | C4 | H4 | 108.6° | 109.4° |
| C4 | C6 | H62 | 109.3° | 109.5° |
| C4 | C6 | H61 | 109.3° | 109.5° |
| O2 | C5 | C26 | 122.4° | 120.0° |
| C5 | C26 | H261 | 109.5° | 109.5° |
| C5 | C26 | H26 | 109.5° | 109.4° |
| C5 | C26 | H262 | 109.5° | 109.5° |
| C6 | C7 | C8 | 111.7° | 110.5° |
| C6 | C7 | C10 | 110.6° | 110.5° |
| C7 | C6 | H62 | 109.2° | 109.4° |
| C7 | C6 | H61 | 109.2° | 109.5° |
| C6 | C7 | H7 | 110.0° | 110.4° |
| C8 | C7 | C10 | 104.1° | 104.2° |
| C7 | C8 | C9 | 105.5° | 101.7° |
| C8 | C7 | H7 | 110.0° | 110.6° |
| C7 | C8 | H81 | 110.4° | 110.9° |
| C7 | C8 | H82 | 110.5° | 111.0° |
| C7 | C10 | N2 | 111.2° | 110.1° |
| C7 | C10 | O3 | 122.2° | 124.9° |
| C10 | C7 | H7 | 110.3° | 110.5° |
| C8 | C9 | N2 | 104.9° | 105.6° |
| C9 | C8 | H81 | 110.4° | 111.0° |
| C9 | C8 | H82 | 110.4° | 111.0° |
| C8 | C9 | H91 | 110.6° | 110.2° |
| C8 | C9 | H92 | 110.6° | 110.2° |
| C9 | N2 | C10 | 112.5° | 111.3° |
| N2 | C9 | H91 | 110.6° | 110.4° |
| N2 | C9 | H92 | 110.6° | 110.1° |
| C9 | N2 | HN2 | 123.8° | 124.4° |
| N2 | C10 | O3 | 126.6° | 125.0° |
| C10 | N2 | HN2 | 123.7° | 124.3° |
| C28 | C27 | C32 | 120.1° | 120.0° |
| C27 | C28 | C29 | 119.6° | 120.0° |
| C27 | C28 | H28 | 120.2° | 120.0° |
| C27 | C32 | C31 | 119.7° | 120.0° |
| C27 | C32 | H32 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.5° | 120.0° |
| C29 | C28 | H28 | 120.2° | 120.0° |
| C28 | C29 | H29 | 119.8° | 120.0° |
| C29 | C30 | C31 | 119.6° | 120.0° |
| C30 | C29 | H29 | 119.8° | 120.0° |
| C29 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | C32 | 120.5° | 120.0° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | H31 | 119.8° | 120.0° |
| C32 | C31 | H31 | 119.8° | 120.0° |
| C31 | C32 | H32 | 120.2° | 120.0° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H162 | C16 | H16 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H261 | C26 | H26 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H26 | C26 | H262 | 109.4° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 111.0° |
| H91 | C9 | H92 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C16 | C27 | H162 | 120.0° | 120.0° |
| O5 | C16 | C27 | H16 | 120.0° | 120.0° |
| C16 | O5 | C15 | O6 | 3.0° | 0.1° |
| C16 | O5 | C15 | N3 | 177.2° | 180.0° |
| O5 | C16 | C27 | C28 | 100.5° | 90.0° |
| O5 | C16 | C27 | C32 | 79.5° | 90.3° |
| O5 | C16 | H162 | H16 | 119.8° | 120.0° |
| C27 | C16 | O5 | C15 | 80.8° | 180.0° |
| C16 | C27 | C28 | C32 | 180.0° | 179.8° |
| C16 | C27 | C28 | C29 | 180.0° | 180.0° |
| C16 | C27 | C32 | C31 | 179.7° | 179.8° |
| C27 | C16 | H162 | H16 | 119.9° | 120.0° |
| C16 | C27 | C28 | H28 | 0.1° | 0.0° |
| C16 | C27 | C32 | H32 | 0.2° | 0.2° |
| O5 | C15 | O6 | N3 | 179.8° | 179.9° |
| O5 | C15 | N3 | C | 178.3° | 175.5° |
| C15 | O5 | C16 | H162 | 39.2° | 60.0° |
| C15 | O5 | C16 | H16 | 159.1° | 60.0° |
| O5 | C15 | N3 | HN3 | 1.7° | 4.6° |
| O6 | C15 | N3 | C | 1.5° | 4.4° |
| O6 | C15 | N3 | HN3 | 178.5° | 175.5° |
| C15 | N3 | C | HN3 | 180.0° | 179.9° |
| C15 | N3 | C | C13 | 124.0° | 95.4° |
| C15 | N3 | C | C1 | 116.1° | 144.6° |
| C15 | N3 | C | H0 | 4.4° | 24.6° |
| N3 | C | C13 | C1 | 120.3° | 120.0° |
| N3 | C | C13 | H0 | 120.3° | 120.0° |
| N3 | C | C1 | H0 | 121.0° | 120.1° |
| N3 | C | C13 | C14 | 173.9° | 60.1° |
| N3 | C | C13 | O4 | 64.3° | 59.9° |
| N3 | C | C1 | O | 60.2° | 12.8° |
| N3 | C | C1 | N | 119.3° | 167.1° |
| N3 | C | C13 | H13 | 55.8° | 179.8° |
| C13 | C | C1 | H0 | 119.1° | 120.0° |
| C | C13 | C14 | O4 | 121.2° | 120.0° |
| C | C13 | C14 | H13 | 118.1° | 120.1° |
| C | C13 | O4 | H13 | 119.4° | 120.0° |
| C | C13 | O4 | C17 | 126.1° | 144.5° |
| C13 | C | C1 | O | 59.7° | 107.1° |
| C13 | C | C1 | N | 120.8° | 73.0° |
| C | C13 | C14 | H142 | 180.0° | 66.0° |
| C | C13 | C14 | H141 | 60.0° | 173.9° |
| C | C13 | C14 | H143 | 60.0° | 53.9° |
| C13 | C | N3 | HN3 | 56.0° | 84.7° |
| C1 | C | C13 | C14 | 53.5° | 179.9° |
| C1 | C | C13 | O4 | 175.4° | 60.1° |
| C | C1 | O | N | 179.5° | 179.9° |
| C | C1 | N | C2 | 179.2° | 174.9° |
| C | C1 | N | HN | 0.8° | 4.9° |
| C1 | C | C13 | H13 | 64.5° | 59.8° |
| C1 | C | N3 | HN3 | 63.9° | 35.3° |
| C14 | C13 | O4 | H13 | 119.9° | 120.0° |
| C14 | C13 | O4 | C17 | 113.3° | 95.5° |
| C14 | C13 | C | H0 | 65.8° | 59.9° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | O4 | C17 | C18 | 40.6° | 56.2° |
| C13 | O4 | C17 | C19 | 81.6° | 63.9° |
| C13 | O4 | C17 | C20 | 159.3° | 176.1° |
| O4 | C13 | C | H0 | 56.0° | 179.9° |
| O4 | C13 | C14 | H142 | 58.7° | 54.0° |
| O4 | C13 | C14 | H141 | 178.8° | 66.1° |
| O4 | C13 | C14 | H143 | 61.2° | 173.9° |
| O4 | C17 | C18 | C19 | 123.2° | 120.0° |
| O4 | C17 | C18 | C20 | 118.0° | 119.9° |
| O4 | C17 | C19 | C20 | 118.3° | 119.9° |
| C17 | O4 | C13 | H13 | 6.7° | 24.5° |
| O4 | C17 | C18 | H181 | 180.0° | 58.3° |
| O4 | C17 | C18 | H183 | 60.0° | 178.3° |
| O4 | C17 | C18 | H182 | 60.0° | 61.7° |
| O4 | C17 | C19 | H191 | 180.0° | 67.3° |
| O4 | C17 | C19 | H192 | 60.0° | 172.8° |
| O4 | C17 | C19 | H193 | 60.0° | 52.8° |
| O4 | C17 | C20 | H202 | 180.0° | 60.0° |
| O4 | C17 | C20 | H203 | 60.0° | 180.0° |
| O4 | C17 | C20 | H201 | 60.0° | 60.0° |
| C18 | C17 | C19 | C20 | 118.6° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 56.9° | 52.8° |
| C18 | C17 | C19 | H192 | 176.9° | 67.2° |
| C18 | C17 | C19 | H193 | 63.1° | 172.8° |
| C18 | C17 | C20 | H202 | 59.8° | 180.0° |
| C18 | C17 | C20 | H203 | 60.2° | 60.0° |
| C18 | C17 | C20 | H201 | 179.8° | 60.0° |
| C19 | C17 | C18 | H181 | 56.8° | 178.3° |
| C19 | C17 | C18 | H183 | 63.2° | 61.7° |
| C19 | C17 | C18 | H182 | 176.8° | 58.3° |
| C17 | C19 | H191 | H192 | 120.0° | 119.9° |
| C17 | C19 | H191 | H193 | 120.0° | 120.1° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C17 | C20 | H202 | 59.4° | 60.0° |
| C19 | C17 | C20 | H203 | 179.4° | 60.1° |
| C19 | C17 | C20 | H201 | 60.6° | 180.0° |
| C20 | C17 | C18 | H181 | 61.9° | 61.6° |
| C20 | C17 | C18 | H183 | 178.0° | 58.4° |
| C20 | C17 | C18 | H182 | 58.1° | 178.3° |
| C20 | C17 | C19 | H191 | 61.7° | 172.8° |
| C20 | C17 | C19 | H192 | 58.3° | 52.9° |
| C20 | C17 | C19 | H193 | 178.3° | 67.1° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C17 | C20 | H202 | H201 | 120.0° | 120.0° |
| C17 | C20 | H203 | H201 | 120.0° | 120.0° |
| O | C1 | N | C2 | 1.3° | 5.0° |
| O | C1 | N | HN | 178.7° | 175.2° |
| O | C1 | C | H0 | 178.8° | 132.9° |
| C1 | N | C2 | HN | 180.0° | 179.8° |
| C1 | N | C2 | C11 | 172.4° | 83.1° |
| C1 | N | C2 | C3 | 65.3° | 156.9° |
| N | C1 | C | H0 | 1.7° | 47.0° |
| C1 | N | C2 | H2 | 54.2° | 36.9° |
| N | C2 | C11 | C3 | 121.2° | 120.0° |
| N | C2 | C11 | H2 | 118.8° | 120.0° |
| N | C2 | C3 | H2 | 120.0° | 120.0° |
| N | C2 | C11 | C12 | 98.0° | 173.5° |
| N | C2 | C3 | O1 | 37.7° | 22.8° |
| N | C2 | C3 | N1 | 140.8° | 157.2° |
| N | C2 | C11 | H111 | 22.9° | 66.5° |
| N | C2 | C11 | H112 | 141.1° | 53.5° |
| C11 | C2 | C3 | H2 | 119.8° | 120.0° |
| C2 | C11 | C12 | H111 | 120.9° | 119.9° |
| C2 | C11 | C12 | H112 | 120.9° | 120.0° |
| C2 | C11 | C12 | C21 | 158.5° | 174.1° |
| C2 | C11 | C12 | C25 | 35.7° | 65.9° |
| C11 | C2 | C3 | O1 | 82.5° | 97.2° |
| C11 | C2 | C3 | N1 | 99.1° | 82.8° |
| C11 | C2 | N | HN | 7.6° | 96.7° |
| C2 | C11 | H111 | H112 | 117.2° | 120.0° |
| C2 | C11 | C12 | H12 | 84.0° | 54.1° |
| C3 | C2 | C11 | C12 | 140.8° | 66.5° |
| C2 | C3 | O1 | N1 | 178.4° | 180.0° |
| C2 | C3 | N1 | C4 | 169.0° | 176.1° |
| C3 | C2 | N | HN | 114.7° | 23.3° |
| C3 | C2 | C11 | H111 | 98.3° | 53.5° |
| C3 | C2 | C11 | H112 | 19.9° | 173.5° |
| C2 | C3 | N1 | HN1 | 11.0° | 3.9° |
| C11 | C12 | C21 | C25 | 124.5° | 120.0° |
| C11 | C12 | C21 | H12 | 117.5° | 120.0° |
| C11 | C12 | C25 | H12 | 119.7° | 120.1° |
| C11 | C12 | C21 | C22 | 137.0° | 180.0° |
| C11 | C12 | C25 | C24 | 179.0° | 179.9° |
| C12 | C11 | H111 | H112 | 117.2° | 120.1° |
| C12 | C11 | C2 | H2 | 20.8° | 53.5° |
| C11 | C12 | C21 | H211 | 16.3° | 60.0° |
| C11 | C12 | C21 | H212 | 102.3° | 60.0° |
| C11 | C12 | C25 | H252 | 58.6° | 60.0° |
| C11 | C12 | C25 | H251 | 60.6° | 60.0° |
| C21 | C12 | C25 | H12 | 118.0° | 120.0° |
| C12 | C21 | C22 | H211 | 120.7° | 120.1° |
| C12 | C21 | C22 | H212 | 120.7° | 120.0° |
| C12 | C21 | C22 | C23 | 44.4° | 60.0° |
| C21 | C12 | C25 | C24 | 58.7° | 60.0° |
| C21 | C12 | C11 | H111 | 37.6° | 54.2° |
| C21 | C12 | C11 | H112 | 80.6° | 65.9° |
| C12 | C21 | H211 | H212 | 117.9° | 120.1° |
| C12 | C21 | C22 | H221 | 76.0° | 180.0° |
| C12 | C21 | C22 | H222 | 164.7° | 59.9° |
| C21 | C12 | C25 | H252 | 179.1° | 179.9° |
| C21 | C12 | C25 | H251 | 61.7° | 60.0° |
| C25 | C12 | C21 | C22 | 12.6° | 60.0° |
| C12 | C25 | C24 | C23 | 46.2° | 60.0° |
| C12 | C25 | C24 | H252 | 120.4° | 120.0° |
| C12 | C25 | C24 | H251 | 120.4° | 119.9° |
| C25 | C12 | C11 | H111 | 85.2° | 174.1° |
| C25 | C12 | C11 | H112 | 156.6° | 54.0° |
| C25 | C12 | C21 | H211 | 108.2° | 60.0° |
| C25 | C12 | C21 | H212 | 133.2° | 180.0° |
| C12 | C25 | C24 | H241 | 166.7° | 180.0° |
| C12 | C25 | C24 | H242 | 74.3° | 60.0° |
| C12 | C25 | H252 | H251 | 118.7° | 119.9° |
| C21 | C22 | C23 | H221 | 120.3° | 120.0° |
| C21 | C22 | C23 | H222 | 120.4° | 120.0° |
| C21 | C22 | C23 | C24 | 57.3° | 60.0° |
| C22 | C21 | C12 | H12 | 105.5° | 60.0° |
| C22 | C21 | H211 | H212 | 117.9° | 119.9° |
| C21 | C22 | H221 | H222 | 119.0° | 120.0° |
| C21 | C22 | C23 | H231 | 177.6° | 60.1° |
| C21 | C22 | C23 | H232 | 63.0° | 180.0° |
| C22 | C23 | C24 | H231 | 120.3° | 120.0° |
| C22 | C23 | C24 | H232 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 11.7° | 60.0° |
| C23 | C22 | C21 | H211 | 165.1° | 60.1° |
| C23 | C22 | C21 | H212 | 76.3° | 180.0° |
| C23 | C22 | H221 | H222 | 119.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.0° | 120.0° |
| C22 | C23 | C24 | H241 | 108.8° | 180.0° |
| C22 | C23 | C24 | H242 | 132.2° | 60.0° |
| C23 | C24 | C25 | H241 | 120.5° | 120.0° |
| C23 | C24 | C25 | H242 | 120.5° | 120.0° |
| C24 | C23 | C22 | H221 | 63.0° | 180.0° |
| C24 | C23 | C22 | H222 | 177.6° | 60.0° |
| C24 | C23 | H231 | H232 | 119.0° | 120.0° |
| C23 | C24 | H241 | H242 | 118.5° | 120.0° |
| C23 | C24 | C25 | H252 | 166.6° | 180.0° |
| C23 | C24 | C25 | H251 | 74.2° | 59.9° |
| C24 | C25 | C12 | H12 | 59.3° | 60.0° |
| C25 | C24 | C23 | H231 | 132.1° | 60.0° |
| C25 | C24 | C23 | H232 | 108.6° | 180.0° |
| C25 | C24 | H241 | H242 | 118.5° | 120.0° |
| C24 | C25 | H252 | H251 | 118.8° | 120.0° |
| O1 | C3 | N1 | C4 | 12.5° | 3.9° |
| O1 | C3 | C2 | H2 | 157.7° | 142.8° |
| O1 | C3 | N1 | HN1 | 167.5° | 176.1° |
| C3 | N1 | C4 | HN1 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 125.8° | 83.2° |
| C3 | N1 | C4 | C6 | 114.5° | 156.9° |
| N1 | C3 | C2 | H2 | 20.7° | 37.2° |
| C3 | N1 | C4 | H4 | 5.7° | 36.9° |
| N1 | C4 | C5 | C6 | 122.0° | 120.0° |
| N1 | C4 | C5 | H4 | 120.5° | 120.1° |
| N1 | C4 | C6 | H4 | 120.7° | 120.0° |
| N1 | C4 | C5 | O2 | 175.8° | 14.9° |
| N1 | C4 | C5 | C26 | 4.6° | 165.0° |
| N1 | C4 | C6 | C7 | 56.6° | 66.7° |
| N1 | C4 | C6 | H62 | 63.5° | 53.2° |
| N1 | C4 | C6 | H61 | 176.7° | 173.3° |
| C5 | C4 | C6 | H4 | 117.7° | 120.0° |
| C4 | C5 | O2 | C26 | 179.6° | 179.9° |
| C5 | C4 | C6 | C7 | 178.2° | 173.3° |
| C4 | C5 | C26 | H261 | 179.6° | 0.1° |
| C4 | C5 | C26 | H26 | 59.6° | 120.0° |
| C4 | C5 | C26 | H262 | 60.4° | 119.9° |
| C5 | C4 | C6 | H62 | 58.0° | 66.8° |
| C5 | C4 | C6 | H61 | 61.7° | 53.3° |
| C5 | C4 | N1 | HN1 | 54.2° | 96.8° |
| C6 | C4 | C5 | O2 | 62.2° | 105.1° |
| C6 | C4 | C5 | C26 | 117.5° | 75.1° |
| C4 | C6 | C7 | H62 | 120.1° | 120.0° |
| C4 | C6 | C7 | H61 | 120.1° | 120.0° |
| C4 | C6 | C7 | C8 | 69.1° | 63.5° |
| C4 | C6 | C7 | C10 | 175.5° | 178.3° |
| C4 | C6 | H62 | H61 | 119.6° | 120.1° |
| C4 | C6 | C7 | H7 | 53.4° | 59.1° |
| C6 | C4 | N1 | HN1 | 65.5° | 23.1° |
| O2 | C5 | C26 | H261 | 0.0° | 180.0° |
| O2 | C5 | C26 | H26 | 120.0° | 60.1° |
| O2 | C5 | C26 | H262 | 120.0° | 60.0° |
| O2 | C5 | C4 | H4 | 55.3° | 135.0° |
| C5 | C26 | H261 | H26 | 120.0° | 119.9° |
| C5 | C26 | H261 | H262 | 120.0° | 120.1° |
| C5 | C26 | H26 | H262 | 120.0° | 120.1° |
| C26 | C5 | C4 | H4 | 125.1° | 44.9° |
| C6 | C7 | C8 | C10 | 119.3° | 118.6° |
| C6 | C7 | C8 | H7 | 122.5° | 122.5° |
| C6 | C7 | C10 | H7 | 121.9° | 122.5° |
| C6 | C7 | C8 | C9 | 130.5° | 143.4° |
| C6 | C7 | C10 | N2 | 124.8° | 135.2° |
| C6 | C7 | C10 | O3 | 55.9° | 45.2° |
| C7 | C6 | C4 | H4 | 64.1° | 53.3° |
| C7 | C6 | H62 | H61 | 119.6° | 120.0° |
| C6 | C7 | C8 | H81 | 11.1° | 25.4° |
| C6 | C7 | C8 | H82 | 110.1° | 98.4° |
| C8 | C7 | C10 | H7 | 118.0° | 118.9° |
| C7 | C8 | C9 | H81 | 119.4° | 118.0° |
| C7 | C8 | C9 | H82 | 119.4° | 118.1° |
| C7 | C8 | C9 | N2 | 13.6° | 25.2° |
| C8 | C7 | C10 | N2 | 4.8° | 16.5° |
| C8 | C7 | C10 | O3 | 175.9° | 163.8° |
| C8 | C7 | C6 | H62 | 170.8° | 176.5° |
| C8 | C7 | C6 | H61 | 51.1° | 56.5° |
| C7 | C8 | H81 | H82 | 121.8° | 123.8° |
| C7 | C8 | C9 | H91 | 132.9° | 144.4° |
| C7 | C8 | C9 | H92 | 105.7° | 93.7° |
| C10 | C7 | C8 | C9 | 11.2° | 24.8° |
| C7 | C10 | N2 | C9 | 4.3° | 0.0° |
| C7 | C10 | N2 | O3 | 179.3° | 179.6° |
| C10 | C7 | C6 | H62 | 55.4° | 61.7° |
| C10 | C7 | C6 | H61 | 64.3° | 58.3° |
| C10 | C7 | C8 | H81 | 108.2° | 93.3° |
| C10 | C7 | C8 | H82 | 130.6° | 142.9° |
| C7 | C10 | N2 | HN2 | 175.7° | 179.6° |
| C8 | C9 | N2 | H91 | 119.3° | 119.1° |
| C8 | C9 | N2 | H92 | 119.3° | 118.9° |
| C8 | C9 | N2 | C10 | 11.4° | 16.6° |
| C9 | C8 | C7 | H7 | 107.0° | 94.0° |
| C9 | C8 | H81 | H82 | 121.8° | 123.9° |
| C8 | C9 | H91 | H92 | 122.1° | 121.9° |
| C8 | C9 | N2 | HN2 | 168.6° | 163.0° |
| C9 | N2 | C10 | HN2 | 180.0° | 179.6° |
| C9 | N2 | C10 | O3 | 175.0° | 179.7° |
| N2 | C9 | C8 | H81 | 105.8° | 92.8° |
| N2 | C9 | C8 | H82 | 133.0° | 143.3° |
| N2 | C9 | H91 | H92 | 122.1° | 121.9° |
| N2 | C10 | C7 | H7 | 113.2° | 102.3° |
| C10 | N2 | C9 | H91 | 130.7° | 135.7° |
| C10 | N2 | C9 | H92 | 107.9° | 102.3° |
| O3 | C10 | C7 | H7 | 66.1° | 77.3° |
| O3 | C10 | N2 | HN2 | 5.0° | 0.8° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C32 | C31 | 0.3° | 0.4° |
| C28 | C27 | C16 | H162 | 19.5° | 150.0° |
| C28 | C27 | C16 | H16 | 139.4° | 30.0° |
| C27 | C28 | C29 | H29 | 179.9° | 179.9° |
| C28 | C27 | C32 | H32 | 179.7° | 179.9° |
| C32 | C27 | C28 | C29 | 0.1° | 0.2° |
| C27 | C32 | C31 | C30 | 0.6° | 0.4° |
| C27 | C32 | C31 | H32 | 180.0° | 179.6° |
| C32 | C27 | C16 | H162 | 160.5° | 29.7° |
| C32 | C27 | C16 | H16 | 40.6° | 149.8° |
| C32 | C27 | C28 | H28 | 179.9° | 179.8° |
| C27 | C32 | C31 | H31 | 179.4° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C28 | C29 | C30 | H30 | 179.6° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.6° | 0.2° |
| C30 | C29 | C28 | H28 | 179.9° | 180.0° |
| C29 | C30 | C31 | H31 | 179.4° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C31 | C30 | C29 | H29 | 179.6° | 180.0° |
| C30 | C31 | C32 | H32 | 179.4° | 180.0° |
| C32 | C31 | C30 | H30 | 179.4° | 179.9° |
| HN | N | C2 | H2 | 125.8° | 143.3° |
| H0 | C | C13 | H13 | 176.1° | 60.2° |
| H0 | C | N3 | HN3 | 175.6° | 155.3° |
| H111 | C11 | C12 | H12 | 155.1° | 65.8° |
| H111 | C11 | C2 | H2 | 141.7° | 173.5° |
| H112 | C11 | C12 | H12 | 36.9° | 174.1° |
| H112 | C11 | C2 | H2 | 100.1° | 66.5° |
| H12 | C12 | C21 | H211 | 133.8° | 180.0° |
| H12 | C12 | C21 | H212 | 15.2° | 60.0° |
| H12 | C12 | C25 | H252 | 61.1° | 60.1° |
| H12 | C12 | C25 | H251 | 179.7° | 180.0° |
| H13 | C13 | C14 | H142 | 61.9° | 173.9° |
| H13 | C13 | C14 | H141 | 58.1° | 53.9° |
| H13 | C13 | C14 | H143 | 178.1° | 66.1° |
| H142 | C14 | H141 | H143 | 120.0° | 120.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H202 | C20 | H203 | H201 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 44.7° | 59.9° |
| H211 | C21 | C22 | H222 | 74.6° | 180.0° |
| H212 | C21 | C22 | H221 | 163.4° | 60.0° |
| H212 | C21 | C22 | H222 | 44.1° | 60.1° |
| H221 | C22 | C23 | H231 | 57.3° | 59.9° |
| H221 | C22 | C23 | H232 | 176.6° | 60.0° |
| H222 | C22 | C23 | H231 | 62.1° | 180.0° |
| H222 | C22 | C23 | H232 | 57.3° | 60.0° |
| H231 | C23 | C24 | H241 | 11.6° | 59.9° |
| H231 | C23 | C24 | H242 | 107.5° | 180.0° |
| H232 | C23 | C24 | H241 | 130.9° | 60.0° |
| H232 | C23 | C24 | H242 | 11.9° | 60.0° |
| H241 | C24 | C25 | H252 | 72.9° | 60.0° |
| H241 | C24 | C25 | H251 | 46.3° | 60.0° |
| H242 | C24 | C25 | H252 | 46.1° | 60.0° |
| H242 | C24 | C25 | H251 | 165.3° | 179.9° |
| H261 | C26 | H26 | H262 | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.0° |
| H29 | C29 | C30 | H30 | 0.4° | 0.0° |
| H30 | C30 | C31 | H31 | 0.6° | 0.1° |
| H31 | C31 | C32 | H32 | 0.5° | 0.2° |
| H4 | C4 | C6 | H62 | 175.7° | 173.3° |
| H4 | C4 | C6 | H61 | 56.0° | 66.7° |
| H4 | C4 | N1 | HN1 | 174.3° | 143.1° |
| H62 | C6 | C7 | H7 | 66.7° | 60.8° |
| H61 | C6 | C7 | H7 | 173.6° | 179.1° |
| H7 | C7 | C8 | H81 | 133.6° | 147.9° |
| H7 | C7 | C8 | H82 | 12.4° | 24.1° |
| H81 | C8 | C9 | H91 | 13.5° | 26.4° |
| H81 | C8 | C9 | H92 | 135.0° | 148.3° |
| H82 | C8 | C9 | H91 | 107.7° | 97.5° |
| H82 | C8 | C9 | H92 | 13.7° | 24.5° |
| H91 | C9 | N2 | HN2 | 49.3° | 43.9° |
| H92 | C9 | N2 | HN2 | 72.1° | 78.1° |
