A1ARM
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 | 1.53Å | |
| O5 | C15 | sing | 1.35Å | 1.46Å | |
| O6 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N3 | sing | 1.35Å | 1.32Å | |
| N3 | C | sing | 1.47Å | 1.45Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | O4 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| 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 | 1.33Å | |
| N | C2 | sing | 1.47Å | 1.44Å | |
| 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 | 1.52Å | |
| C25 | C12 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| 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 | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| O2 | C5 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.50Å | 1.50Å | |
| C8 | C26 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.33Å | 1.34Å | |
| C9 | N2 | sing | 1.46Å | 1.46Å | |
| C10 | O3 | doub | 1.21Å | 1.21Å | |
| C26 | C9 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | 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 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | 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 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | 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 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | 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 | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C5 | H5 | 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 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | 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) |
| O5 | C16 | C27 | 111.8° | 109.5° |
| C16 | O5 | C15 | 125.6° | 117.0° |
| O5 | C16 | H16 | 108.9° | 109.5° |
| O5 | C16 | H162 | 108.9° | 109.5° |
| C16 | C27 | C28 | 120.5° | 120.0° |
| C16 | C27 | C32 | 121.3° | 120.0° |
| C27 | C16 | H16 | 108.9° | 109.5° |
| C27 | C16 | H162 | 108.9° | 109.4° |
| O5 | C15 | O6 | 122.0° | 120.0° |
| O5 | C15 | N3 | 115.8° | 120.0° |
| O6 | C15 | N3 | 122.2° | 120.0° |
| C15 | N3 | C | 123.4° | 119.9° |
| C15 | N3 | HN3 | 118.3° | 120.1° |
| N3 | C | C13 | 106.5° | 109.5° |
| N3 | C | C1 | 109.5° | 109.4° |
| N3 | C | H0 | 110.3° | 109.5° |
| C | N3 | HN3 | 118.2° | 120.0° |
| C13 | C | C1 | 111.8° | 109.4° |
| C | C13 | C14 | 112.8° | 109.4° |
| C | C13 | O4 | 109.6° | 109.5° |
| C13 | C | H0 | 109.1° | 109.5° |
| C | C13 | H13 | 107.6° | 109.5° |
| C | C1 | O | 121.5° | 120.0° |
| C | C1 | N | 114.7° | 120.0° |
| C1 | C | H0 | 109.6° | 109.5° |
| C14 | C13 | O4 | 110.3° | 109.5° |
| C14 | C13 | H13 | 107.6° | 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 | 113.3° | 114.0° |
| O4 | C13 | H13 | 108.8° | 109.5° |
| O4 | C17 | C18 | 107.0° | 109.5° |
| O4 | C17 | C19 | 112.8° | 109.5° |
| O4 | C17 | C20 | 107.3° | 109.5° |
| C18 | C17 | C19 | 109.9° | 109.4° |
| C18 | C17 | C20 | 110.7° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C19 | C17 | C20 | 109.2° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.5° | 109.4° |
| O | C1 | N | 123.8° | 120.0° |
| C1 | N | C2 | 122.2° | 120.0° |
| C1 | N | HN | 118.9° | 120.0° |
| N | C2 | C11 | 106.4° | 109.5° |
| N | C2 | C3 | 108.9° | 109.4° |
| C2 | N | HN | 118.9° | 120.0° |
| N | C2 | H2 | 110.4° | 109.4° |
| C11 | C2 | C3 | 112.3° | 109.5° |
| C2 | C11 | C12 | 118.3° | 109.4° |
| C2 | C11 | H111 | 107.2° | 109.5° |
| C2 | C11 | H112 | 107.2° | 109.5° |
| C11 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | O1 | 121.0° | 120.1° |
| C2 | C3 | N1 | 118.5° | 120.0° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C11 | C12 | C21 | 107.9° | 109.4° |
| C11 | C12 | C25 | 114.3° | 109.5° |
| C12 | C11 | H111 | 107.2° | 109.5° |
| C12 | C11 | H112 | 107.2° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C21 | C12 | C25 | 107.5° | 109.4° |
| C12 | C21 | C22 | 114.8° | 109.5° |
| C21 | C12 | H12 | 109.1° | 109.4° |
| C12 | C21 | H211 | 108.1° | 109.5° |
| C12 | C21 | H212 | 108.1° | 109.5° |
| C12 | C25 | C24 | 111.8° | 109.4° |
| C25 | C12 | H12 | 109.0° | 109.5° |
| C12 | C25 | H252 | 108.9° | 109.4° |
| C12 | C25 | H251 | 108.9° | 109.5° |
| C21 | C22 | C23 | 108.5° | 109.4° |
| C22 | C21 | H211 | 108.1° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| C21 | C22 | H221 | 109.7° | 109.5° |
| C21 | C22 | H222 | 109.7° | 109.5° |
| C22 | C23 | C24 | 111.7° | 109.5° |
| C23 | C22 | H221 | 109.7° | 109.5° |
| C23 | C22 | H222 | 109.7° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.4° |
| C23 | C24 | C25 | 112.3° | 109.5° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C24 | C23 | H232 | 108.9° | 109.5° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 108.7° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.7° | 109.5° |
| C24 | C25 | H252 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| O1 | C3 | N1 | 120.5° | 120.0° |
| C3 | N1 | C4 | 118.4° | 120.0° |
| C3 | N1 | HN1 | 120.8° | 120.0° |
| N1 | C4 | C5 | 114.4° | 109.5° |
| N1 | C4 | C6 | 113.9° | 109.5° |
| N1 | C4 | H4 | 107.4° | 109.4° |
| C4 | N1 | HN1 | 120.8° | 120.0° |
| C5 | C4 | C6 | 107.5° | 109.5° |
| C4 | C5 | O2 | 106.4° | 109.4° |
| C5 | C4 | H4 | 106.5° | 109.5° |
| C4 | C5 | H | 110.2° | 109.4° |
| C4 | C5 | H5 | 110.2° | 109.5° |
| C4 | C6 | C7 | 119.7° | 109.5° |
| C6 | C4 | H4 | 106.5° | 109.5° |
| C4 | C6 | H62 | 106.8° | 109.5° |
| C4 | C6 | H61 | 106.8° | 109.4° |
| O2 | C5 | H | 110.2° | 109.5° |
| O2 | C5 | H5 | 110.2° | 109.5° |
| C5 | O2 | HO2 | 109.5° | 114.0° |
| C6 | C7 | C8 | 110.9° | 109.4° |
| C6 | C7 | C10 | 105.1° | 109.4° |
| C7 | C6 | H62 | 106.9° | 109.5° |
| C7 | C6 | H61 | 106.9° | 109.5° |
| C6 | C7 | H7 | 110.1° | 109.4° |
| C8 | C7 | C10 | 110.1° | 109.9° |
| C7 | C8 | C26 | 114.8° | 108.4° |
| C8 | C7 | H7 | 110.1° | 109.3° |
| C7 | C8 | H82 | 108.1° | 109.6° |
| C7 | C8 | H81 | 108.1° | 109.6° |
| C7 | C10 | N2 | 122.0° | 123.6° |
| C7 | C10 | O3 | 117.9° | 118.2° |
| C10 | C7 | H7 | 110.4° | 109.4° |
| C8 | C26 | C9 | 111.0° | 108.8° |
| C8 | C26 | H26 | 109.1° | 109.7° |
| C8 | C26 | H261 | 109.1° | 109.5° |
| C26 | C8 | H82 | 108.1° | 109.7° |
| C26 | C8 | H81 | 108.1° | 109.7° |
| C10 | N2 | C9 | 127.1° | 124.1° |
| N2 | C10 | O3 | 120.1° | 118.2° |
| C10 | N2 | HN2 | 116.5° | 118.0° |
| N2 | C9 | C26 | 112.4° | 110.5° |
| N2 | C9 | H9 | 108.7° | 109.3° |
| N2 | C9 | H91 | 108.7° | 109.3° |
| C9 | N2 | HN2 | 116.5° | 118.0° |
| C9 | C26 | H26 | 109.1° | 109.6° |
| C9 | C26 | H261 | 109.1° | 109.6° |
| C26 | C9 | H9 | 108.7° | 109.3° |
| C26 | C9 | H91 | 108.8° | 109.3° |
| C28 | C27 | C32 | 118.1° | 120.0° |
| C27 | C28 | C29 | 122.1° | 120.1° |
| C27 | C28 | H28 | 119.0° | 120.0° |
| C27 | C32 | C31 | 120.2° | 120.0° |
| C27 | C32 | H32 | 119.9° | 119.9° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C29 | C28 | H28 | 119.0° | 119.9° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C29 | C30 | C31 | 119.3° | 120.0° |
| C30 | C29 | H29 | 120.2° | 120.0° |
| C29 | C30 | H30 | 120.3° | 120.0° |
| C30 | C31 | C32 | 120.7° | 120.1° |
| C31 | C30 | H30 | 120.4° | 120.0° |
| C30 | C31 | H31 | 119.6° | 119.9° |
| C32 | C31 | H31 | 119.7° | 120.0° |
| C31 | C32 | H32 | 119.9° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H16 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 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 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H26 | C26 | H261 | 109.5° | 109.5° |
| H | C5 | H5 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.6° |
| H82 | C8 | H81 | 109.5° | 109.7° |
| H9 | C9 | H91 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C16 | C27 | H16 | 120.4° | 120.0° |
| O5 | C16 | C27 | H162 | 120.4° | 120.0° |
| C16 | O5 | C15 | O6 | 10.6° | 0.0° |
| C16 | O5 | C15 | N3 | 168.8° | 180.0° |
| O5 | C16 | C27 | C28 | 70.9° | 90.0° |
| O5 | C16 | C27 | C32 | 110.2° | 90.3° |
| O5 | C16 | H16 | H162 | 118.9° | 120.0° |
| C27 | C16 | O5 | C15 | 111.4° | 180.0° |
| C16 | C27 | C28 | C32 | 178.9° | 179.8° |
| C16 | C27 | C28 | C29 | 179.0° | 180.0° |
| C16 | C27 | C32 | C31 | 179.3° | 179.8° |
| C27 | C16 | H16 | H162 | 118.9° | 120.0° |
| C16 | C27 | C28 | H28 | 1.0° | 0.0° |
| C16 | C27 | C32 | H32 | 0.7° | 0.2° |
| O5 | C15 | O6 | N3 | 179.4° | 180.0° |
| O5 | C15 | N3 | C | 149.8° | 180.0° |
| C15 | O5 | C16 | H16 | 8.9° | 60.0° |
| C15 | O5 | C16 | H162 | 128.2° | 60.1° |
| O5 | C15 | N3 | HN3 | 30.2° | 0.1° |
| O6 | C15 | N3 | C | 30.8° | 0.0° |
| O6 | C15 | N3 | HN3 | 149.2° | 180.0° |
| C15 | N3 | C | HN3 | 180.0° | 180.0° |
| C15 | N3 | C | C13 | 125.5° | 85.1° |
| C15 | N3 | C | C1 | 113.5° | 155.0° |
| C15 | N3 | C | H0 | 7.2° | 35.0° |
| N3 | C | C13 | C1 | 119.6° | 119.9° |
| N3 | C | C13 | H0 | 119.1° | 120.0° |
| N3 | C | C1 | H0 | 121.1° | 120.0° |
| N3 | C | C13 | C14 | 157.5° | 55.0° |
| N3 | C | C13 | O4 | 79.1° | 65.0° |
| N3 | C | C1 | O | 47.5° | 0.1° |
| N3 | C | C1 | N | 132.2° | 180.0° |
| N3 | C | C13 | H13 | 39.0° | 175.0° |
| C13 | C | C1 | H0 | 121.1° | 120.0° |
| C | C13 | C14 | O4 | 123.0° | 120.0° |
| C | C13 | C14 | H13 | 118.5° | 119.9° |
| C | C13 | O4 | H13 | 117.3° | 120.0° |
| C | C13 | O4 | C17 | 120.7° | 143.8° |
| C13 | C | C1 | O | 70.3° | 120.0° |
| C13 | C | C1 | N | 110.0° | 60.0° |
| C | C13 | C14 | H142 | 180.0° | 174.8° |
| C | C13 | C14 | H141 | 60.0° | 54.9° |
| C | C13 | C14 | H143 | 60.0° | 65.2° |
| C13 | C | N3 | HN3 | 54.5° | 95.0° |
| C1 | C | C13 | C14 | 37.9° | 175.0° |
| C1 | C | C13 | O4 | 161.3° | 55.0° |
| C | C1 | O | N | 179.7° | 180.0° |
| C | C1 | N | C2 | 149.5° | 174.6° |
| C | C1 | N | HN | 30.5° | 5.1° |
| C1 | C | C13 | H13 | 80.6° | 65.1° |
| C1 | C | N3 | HN3 | 66.5° | 24.9° |
| C14 | C13 | O4 | H13 | 117.8° | 120.0° |
| C14 | C13 | O4 | C17 | 114.5° | 96.3° |
| C14 | C13 | C | H0 | 83.4° | 65.0° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.1° |
| C13 | O4 | C17 | C18 | 98.0° | 55.1° |
| C13 | O4 | C17 | C19 | 22.9° | 64.8° |
| C13 | O4 | C17 | C20 | 143.1° | 175.2° |
| O4 | C13 | C | H0 | 40.0° | 175.0° |
| O4 | C13 | C14 | H142 | 57.0° | 65.2° |
| O4 | C13 | C14 | H141 | 177.1° | 174.9° |
| O4 | C13 | C14 | H143 | 63.0° | 54.8° |
| O4 | C17 | C18 | C19 | 122.8° | 120.0° |
| O4 | C17 | C18 | C20 | 116.6° | 120.1° |
| O4 | C17 | C19 | C20 | 119.1° | 120.0° |
| C17 | O4 | C13 | H13 | 3.3° | 23.7° |
| O4 | C17 | C18 | H181 | 180.0° | 58.2° |
| O4 | C17 | C18 | H183 | 60.0° | 178.3° |
| O4 | C17 | C18 | H182 | 60.0° | 61.7° |
| O4 | C17 | C19 | H192 | 180.0° | 60.0° |
| O4 | C17 | C19 | H191 | 60.0° | 180.0° |
| O4 | C17 | C19 | H193 | 60.0° | 60.0° |
| 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 | 121.6° | 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 | H192 | 60.7° | 60.0° |
| C18 | C17 | C19 | H191 | 179.3° | 60.0° |
| C18 | C17 | C19 | H193 | 59.3° | 180.0° |
| C18 | C17 | C20 | H202 | 63.6° | 179.9° |
| C18 | C17 | C20 | H203 | 56.4° | 59.9° |
| C18 | C17 | C20 | H201 | 176.4° | 60.0° |
| C19 | C17 | C18 | H181 | 57.2° | 178.2° |
| C19 | C17 | C18 | H183 | 62.8° | 61.7° |
| C19 | C17 | C18 | H182 | 177.2° | 58.3° |
| C17 | C19 | H192 | H191 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C19 | C17 | C20 | H202 | 57.5° | 60.0° |
| C19 | C17 | C20 | H203 | 177.5° | 60.0° |
| C19 | C17 | C20 | H201 | 62.5° | 180.0° |
| C20 | C17 | C18 | H181 | 63.4° | 61.8° |
| C20 | C17 | C18 | H183 | 176.6° | 58.2° |
| C20 | C17 | C18 | H182 | 56.6° | 178.3° |
| C20 | C17 | C19 | H192 | 60.9° | 180.0° |
| C20 | C17 | C19 | H191 | 59.1° | 60.0° |
| C20 | C17 | C19 | H193 | 179.1° | 60.0° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C17 | C20 | H202 | H201 | 120.0° | 120.0° |
| C17 | C20 | H203 | H201 | 120.0° | 119.9° |
| O | C1 | N | C2 | 30.3° | 5.4° |
| O | C1 | N | HN | 149.7° | 174.9° |
| O | C1 | C | H0 | 168.6° | 120.0° |
| C1 | N | C2 | HN | 180.0° | 179.7° |
| C1 | N | C2 | C11 | 135.9° | 81.9° |
| C1 | N | C2 | C3 | 102.8° | 158.1° |
| N | C1 | C | H0 | 11.1° | 60.0° |
| C1 | N | C2 | H2 | 17.5° | 38.2° |
| N | C2 | C11 | C3 | 119.1° | 119.9° |
| N | C2 | C11 | H2 | 119.2° | 120.0° |
| N | C2 | C3 | H2 | 120.8° | 119.9° |
| N | C2 | C11 | C12 | 119.6° | 178.3° |
| N | C2 | C3 | O1 | 74.3° | 18.3° |
| N | C2 | C3 | N1 | 104.6° | 161.7° |
| N | C2 | C11 | H111 | 1.7° | 61.7° |
| N | C2 | C11 | H112 | 119.2° | 58.3° |
| C11 | C2 | C3 | H2 | 121.5° | 120.1° |
| C2 | C11 | C12 | H111 | 121.3° | 120.0° |
| C2 | C11 | C12 | H112 | 121.3° | 120.0° |
| C2 | C11 | C12 | C21 | 146.0° | 173.7° |
| C2 | C11 | C12 | C25 | 26.5° | 66.4° |
| C11 | C2 | C3 | O1 | 43.3° | 101.7° |
| C11 | C2 | C3 | N1 | 137.8° | 78.3° |
| C11 | C2 | N | HN | 44.1° | 97.8° |
| C2 | C11 | H111 | H112 | 116.0° | 120.0° |
| C2 | C11 | C12 | H12 | 95.8° | 53.7° |
| C3 | C2 | C11 | C12 | 121.4° | 61.8° |
| C2 | C3 | O1 | N1 | 178.9° | 180.0° |
| C2 | C3 | N1 | C4 | 159.9° | 174.1° |
| C3 | C2 | N | HN | 77.2° | 22.2° |
| C3 | C2 | C11 | H111 | 117.4° | 58.2° |
| C3 | C2 | C11 | H112 | 0.1° | 178.2° |
| C2 | C3 | N1 | HN1 | 20.1° | 5.9° |
| C11 | C12 | C21 | C25 | 123.8° | 120.0° |
| C11 | C12 | C21 | H12 | 118.2° | 120.0° |
| C11 | C12 | C25 | H12 | 122.2° | 120.1° |
| C11 | C12 | C21 | C22 | 168.1° | 180.0° |
| C11 | C12 | C25 | C24 | 152.2° | 180.0° |
| C12 | C11 | H111 | H112 | 116.0° | 120.0° |
| C12 | C11 | C2 | H2 | 0.3° | 58.3° |
| C11 | C12 | C21 | H211 | 71.2° | 59.9° |
| C11 | C12 | C21 | H212 | 47.3° | 60.0° |
| C11 | C12 | C25 | H252 | 87.5° | 60.1° |
| C11 | C12 | C25 | H251 | 31.8° | 59.9° |
| C21 | C12 | C25 | H12 | 118.1° | 120.0° |
| C12 | C21 | C22 | H211 | 120.8° | 120.1° |
| C12 | C21 | C22 | H212 | 120.8° | 120.0° |
| C12 | C21 | C22 | C23 | 33.6° | 60.0° |
| C21 | C12 | C25 | C24 | 32.5° | 60.0° |
| C21 | C12 | C11 | H111 | 24.7° | 53.7° |
| C21 | C12 | C11 | H112 | 92.8° | 66.3° |
| C12 | C21 | H211 | H212 | 117.6° | 120.0° |
| C12 | C21 | C22 | H221 | 153.5° | 180.0° |
| C12 | C21 | C22 | H222 | 86.2° | 59.9° |
| C21 | C12 | C25 | H252 | 152.8° | 180.0° |
| C21 | C12 | C25 | H251 | 87.9° | 60.0° |
| C25 | C12 | C21 | C22 | 68.2° | 60.0° |
| C12 | C25 | C24 | C23 | 27.8° | 60.1° |
| C12 | C25 | C24 | H252 | 120.3° | 119.9° |
| C12 | C25 | C24 | H251 | 120.4° | 120.0° |
| C25 | C12 | C11 | H111 | 94.8° | 173.6° |
| C25 | C12 | C11 | H112 | 147.7° | 53.6° |
| C25 | C12 | C21 | H211 | 52.6° | 60.0° |
| C25 | C12 | C21 | H212 | 171.0° | 179.9° |
| C12 | C25 | C24 | H241 | 92.6° | 179.9° |
| C12 | C25 | C24 | H242 | 148.2° | 60.0° |
| C12 | C25 | H252 | H251 | 119.0° | 120.0° |
| C21 | C22 | C23 | H221 | 119.9° | 120.0° |
| C21 | C22 | C23 | H222 | 119.8° | 119.9° |
| C21 | C22 | C23 | C24 | 30.2° | 60.0° |
| C22 | C21 | C12 | H12 | 49.9° | 60.0° |
| C22 | C21 | H211 | H212 | 117.6° | 120.0° |
| C21 | C22 | H221 | H222 | 120.4° | 120.0° |
| C21 | C22 | C23 | H231 | 150.5° | 60.1° |
| C21 | C22 | C23 | H232 | 90.2° | 180.0° |
| C22 | C23 | C24 | H231 | 120.4° | 120.1° |
| C22 | C23 | C24 | H232 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 63.7° | 60.1° |
| C23 | C22 | C21 | H211 | 87.2° | 60.0° |
| C23 | C22 | C21 | H212 | 154.4° | 180.0° |
| C23 | C22 | H221 | H222 | 120.5° | 120.0° |
| C22 | C23 | H231 | H232 | 119.0° | 120.0° |
| C22 | C23 | C24 | H241 | 56.8° | 179.9° |
| C22 | C23 | C24 | H242 | 175.9° | 60.0° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | H242 | 120.4° | 120.0° |
| C24 | C23 | C22 | H221 | 89.7° | 180.0° |
| C24 | C23 | C22 | H222 | 150.0° | 60.0° |
| C24 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | C24 | H241 | H242 | 118.7° | 120.0° |
| C23 | C24 | C25 | H252 | 92.5° | 180.0° |
| C23 | C24 | C25 | H251 | 148.2° | 60.0° |
| C24 | C25 | C12 | H12 | 85.7° | 60.0° |
| C25 | C24 | C23 | H231 | 176.0° | 60.0° |
| C25 | C24 | C23 | H232 | 56.7° | 180.0° |
| C25 | C24 | H241 | H242 | 118.7° | 120.0° |
| C24 | C25 | H252 | H251 | 118.9° | 120.0° |
| O1 | C3 | N1 | C4 | 19.0° | 5.9° |
| O1 | C3 | C2 | H2 | 164.8° | 138.2° |
| O1 | C3 | N1 | HN1 | 161.0° | 174.1° |
| C3 | N1 | C4 | HN1 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 115.2° | 87.4° |
| C3 | N1 | C4 | C6 | 120.5° | 152.6° |
| N1 | C3 | C2 | H2 | 16.3° | 41.8° |
| C3 | N1 | C4 | H4 | 2.8° | 32.6° |
| N1 | C4 | C5 | C6 | 127.6° | 120.0° |
| N1 | C4 | C5 | H4 | 118.5° | 120.0° |
| N1 | C4 | C6 | H4 | 118.3° | 120.0° |
| N1 | C4 | C5 | O2 | 142.1° | 65.0° |
| N1 | C4 | C6 | C7 | 52.9° | 65.1° |
| N1 | C4 | C5 | H | 98.4° | 55.0° |
| N1 | C4 | C5 | H5 | 22.5° | 175.0° |
| N1 | C4 | C6 | H62 | 68.5° | 54.9° |
| N1 | C4 | C6 | H61 | 174.4° | 174.9° |
| C5 | C4 | C6 | H4 | 113.9° | 120.0° |
| C4 | C5 | O2 | H | 119.5° | 120.0° |
| C4 | C5 | O2 | H5 | 119.5° | 120.0° |
| C5 | C4 | C6 | C7 | 179.2° | 174.9° |
| C4 | C5 | H | H5 | 121.4° | 120.0° |
| C5 | C4 | C6 | H62 | 59.3° | 65.1° |
| C5 | C4 | C6 | H61 | 57.7° | 54.9° |
| C5 | C4 | N1 | HN1 | 64.8° | 92.5° |
| C4 | C5 | O2 | HO2 | 180.0° | 180.0° |
| C6 | C4 | C5 | O2 | 90.3° | 55.0° |
| C4 | C6 | C7 | H62 | 121.4° | 120.0° |
| C4 | C6 | C7 | H61 | 121.5° | 119.9° |
| C4 | C6 | C7 | C8 | 79.3° | 66.2° |
| C4 | C6 | C7 | C10 | 161.8° | 173.4° |
| C6 | C4 | C5 | H | 29.2° | 175.0° |
| C6 | C4 | C5 | H5 | 150.1° | 65.0° |
| C4 | C6 | H62 | H61 | 115.3° | 120.0° |
| C4 | C6 | C7 | H7 | 42.8° | 53.5° |
| C6 | C4 | N1 | HN1 | 59.4° | 27.5° |
| O2 | C5 | C4 | H4 | 23.5° | 175.0° |
| O2 | C5 | H | H5 | 121.4° | 120.0° |
| C6 | C7 | C8 | C10 | 115.9° | 120.1° |
| C6 | C7 | C8 | H7 | 122.1° | 119.8° |
| C6 | C7 | C10 | H7 | 118.7° | 119.9° |
| C6 | C7 | C8 | C26 | 159.3° | 169.0° |
| C6 | C7 | C10 | N2 | 137.0° | 138.0° |
| C6 | C7 | C10 | O3 | 42.1° | 42.3° |
| C7 | C6 | C4 | H4 | 65.4° | 54.9° |
| C7 | C6 | H62 | H61 | 115.4° | 120.0° |
| C6 | C7 | C8 | H82 | 38.6° | 71.2° |
| C6 | C7 | C8 | H81 | 79.9° | 49.3° |
| C8 | C7 | C10 | H7 | 121.8° | 120.0° |
| C7 | C8 | C26 | H82 | 120.8° | 119.7° |
| C7 | C8 | C26 | H81 | 120.8° | 119.7° |
| C8 | C7 | C10 | N2 | 17.5° | 17.8° |
| C8 | C7 | C10 | O3 | 161.5° | 162.5° |
| C7 | C8 | C26 | C9 | 55.7° | 67.4° |
| C7 | C8 | C26 | H26 | 176.0° | 172.7° |
| C7 | C8 | C26 | H261 | 64.5° | 52.5° |
| C8 | C7 | C6 | H62 | 159.3° | 173.8° |
| C8 | C7 | C6 | H61 | 42.2° | 53.7° |
| C7 | C8 | H82 | H81 | 117.6° | 120.5° |
| C10 | C7 | C8 | C26 | 43.5° | 48.9° |
| C7 | C10 | N2 | O3 | 179.1° | 179.7° |
| C7 | C10 | N2 | C9 | 3.8° | 2.5° |
| C10 | C7 | C6 | H62 | 40.3° | 53.4° |
| C10 | C7 | C6 | H61 | 76.8° | 66.7° |
| C10 | C7 | C8 | H82 | 77.3° | 168.6° |
| C10 | C7 | C8 | H81 | 164.2° | 70.9° |
| C7 | C10 | N2 | HN2 | 176.1° | 177.5° |
| C8 | C26 | C9 | N2 | 38.7° | 50.6° |
| C8 | C26 | C9 | H26 | 120.2° | 120.0° |
| C8 | C26 | C9 | H261 | 120.2° | 119.8° |
| C8 | C26 | H26 | H261 | 119.3° | 120.2° |
| C26 | C8 | C7 | H7 | 78.6° | 71.2° |
| C26 | C8 | H82 | H81 | 117.6° | 120.6° |
| C8 | C26 | C9 | H9 | 159.1° | 69.7° |
| C8 | C26 | C9 | H91 | 81.7° | 170.9° |
| C10 | N2 | C9 | HN2 | 180.0° | 180.0° |
| C10 | N2 | C9 | C26 | 14.8° | 19.1° |
| N2 | C10 | C7 | H7 | 104.3° | 102.2° |
| C10 | N2 | C9 | H9 | 135.2° | 101.2° |
| C10 | N2 | C9 | H91 | 105.7° | 139.4° |
| C9 | N2 | C10 | O3 | 175.2° | 177.8° |
| N2 | C9 | C26 | H9 | 120.4° | 120.3° |
| N2 | C9 | C26 | H91 | 120.4° | 120.3° |
| N2 | C9 | C26 | H26 | 158.9° | 170.6° |
| N2 | C9 | C26 | H261 | 81.5° | 69.2° |
| N2 | C9 | H9 | H91 | 118.6° | 119.4° |
| O3 | C10 | C7 | H7 | 76.6° | 77.6° |
| O3 | C10 | N2 | HN2 | 4.8° | 2.2° |
| C9 | C26 | H26 | H261 | 119.3° | 120.3° |
| C9 | C26 | C8 | H82 | 65.0° | 172.9° |
| C9 | C26 | C8 | H81 | 176.5° | 52.4° |
| C26 | C9 | H9 | H91 | 118.7° | 119.5° |
| C26 | C9 | N2 | HN2 | 165.2° | 160.9° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.3° | 0.0° |
| C28 | C27 | C32 | C31 | 0.4° | 0.4° |
| C28 | C27 | C16 | H16 | 49.4° | 150.0° |
| C28 | C27 | C16 | H162 | 168.7° | 30.0° |
| C27 | C28 | C29 | H29 | 179.7° | 180.0° |
| C28 | C27 | C32 | H32 | 179.6° | 179.9° |
| C32 | C27 | C28 | C29 | 0.1° | 0.2° |
| C27 | C32 | C31 | C30 | 0.4° | 0.4° |
| C27 | C32 | C31 | H32 | 180.0° | 179.6° |
| C32 | C27 | C16 | H16 | 129.4° | 29.7° |
| C32 | C27 | C16 | H162 | 10.2° | 149.7° |
| C32 | C27 | C28 | H28 | 180.0° | 179.8° |
| C27 | C32 | C31 | H31 | 179.6° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C28 | C29 | C30 | H30 | 179.8° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.2° |
| C30 | C29 | C28 | H28 | 179.7° | 180.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C31 | C30 | C29 | H29 | 179.7° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 180.0° |
| C32 | C31 | C30 | H30 | 179.9° | 179.8° |
| HN | N | C2 | H2 | 162.5° | 142.1° |
| H0 | C | C13 | H13 | 158.1° | 55.0° |
| H0 | C | N3 | HN3 | 172.8° | 145.0° |
| H111 | C11 | C12 | H12 | 143.0° | 66.3° |
| H111 | C11 | C2 | H2 | 120.9° | 178.3° |
| H112 | C11 | C12 | H12 | 25.5° | 173.7° |
| H112 | C11 | C2 | H2 | 121.6° | 61.7° |
| H12 | C12 | C21 | H211 | 170.7° | 179.9° |
| H12 | C12 | C21 | H212 | 70.9° | 60.0° |
| H12 | C12 | C25 | H252 | 34.7° | 60.0° |
| H12 | C12 | C25 | H251 | 154.0° | 180.0° |
| H13 | C13 | C14 | H142 | 61.5° | 54.8° |
| H13 | C13 | C14 | H141 | 58.5° | 65.1° |
| H13 | C13 | C14 | H143 | 178.5° | 174.8° |
| H142 | C14 | H141 | H143 | 120.0° | 120.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H192 | C19 | H191 | H193 | 120.0° | 120.0° |
| H202 | C20 | H203 | H201 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 32.7° | 59.9° |
| H211 | C21 | C22 | H222 | 153.0° | 180.0° |
| H212 | C21 | C22 | H221 | 85.7° | 60.0° |
| H212 | C21 | C22 | H222 | 34.5° | 60.1° |
| H221 | C22 | C23 | H231 | 30.7° | 59.9° |
| H221 | C22 | C23 | H232 | 150.0° | 60.0° |
| H222 | C22 | C23 | H231 | 89.6° | 180.0° |
| H222 | C22 | C23 | H232 | 29.7° | 60.0° |
| H231 | C23 | C24 | H241 | 63.6° | 60.0° |
| H231 | C23 | C24 | H242 | 55.6° | 179.9° |
| H232 | C23 | C24 | H241 | 177.1° | 60.0° |
| H232 | C23 | C24 | H242 | 63.7° | 60.0° |
| H241 | C24 | C25 | H252 | 147.0° | 60.0° |
| H241 | C24 | C25 | H251 | 27.7° | 60.0° |
| H242 | C24 | C25 | H252 | 27.9° | 59.9° |
| H242 | C24 | C25 | H251 | 91.4° | 180.0° |
| H26 | C26 | C8 | H82 | 55.2° | 53.0° |
| H26 | C26 | C8 | H81 | 63.3° | 67.6° |
| H26 | C26 | C9 | H9 | 80.7° | 50.2° |
| H26 | C26 | C9 | H91 | 38.5° | 69.1° |
| H261 | C26 | C8 | H82 | 174.8° | 67.2° |
| H261 | C26 | C8 | H81 | 56.3° | 172.2° |
| H261 | C26 | C9 | H9 | 38.9° | 170.5° |
| H261 | C26 | C9 | H91 | 158.0° | 51.1° |
| H28 | C28 | C29 | H29 | 0.3° | 0.0° |
| H29 | C29 | C30 | H30 | 0.2° | 0.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.1° |
| H31 | C31 | C32 | H32 | 0.4° | 0.1° |
| H4 | C4 | C5 | H | 143.0° | 65.0° |
| H4 | C4 | C5 | H5 | 96.0° | 55.0° |
| H4 | C4 | C6 | H62 | 173.2° | 174.9° |
| H4 | C4 | C6 | H61 | 56.1° | 65.1° |
| H4 | C4 | N1 | HN1 | 177.2° | 147.5° |
| H | C5 | O2 | HO2 | 60.5° | 60.1° |
| H5 | C5 | O2 | HO2 | 60.5° | 60.0° |
| H62 | C6 | C7 | H7 | 78.6° | 66.4° |
| H61 | C6 | C7 | H7 | 164.3° | 173.5° |
| H7 | C7 | C8 | H82 | 160.7° | 48.6° |
| H7 | C7 | C8 | H81 | 42.2° | 169.1° |
| H9 | C9 | N2 | HN2 | 44.7° | 78.8° |
| H91 | C9 | N2 | HN2 | 74.4° | 40.6° |
