A1ARG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C15 | doub | 1.22Å | 1.22Å | |
| O5 | C15 | sing | 1.35Å | 1.44Å | |
| C15 | N3 | sing | 1.35Å | 1.31Å | |
| C16 | O5 | sing | 1.45Å | 1.42Å | |
| C26 | C16 | sing | 1.53Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N3 | C | sing | 1.46Å | 1.43Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| O4 | C13 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | O4 | sing | 1.43Å | 1.44Å | |
| C20 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | C2 | sing | 1.46Å | 1.45Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C25 | sing | 1.53Å | 1.52Å | |
| C21 | C12 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| N2 | C10 | sing | 1.34Å | 1.33Å | |
| C9 | N2 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| 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 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | 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 | 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 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | 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 | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | 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 | 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 | 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) |
| O6 | C15 | O5 | 119.2° | 120.0° |
| O6 | C15 | N3 | 124.6° | 120.0° |
| O5 | C15 | N3 | 116.2° | 120.0° |
| C15 | O5 | C16 | 115.7° | 117.0° |
| C15 | N3 | C | 118.1° | 120.0° |
| C15 | N3 | HN3 | 120.9° | 120.0° |
| O5 | C16 | C26 | 105.5° | 109.5° |
| O5 | C16 | H161 | 110.4° | 109.5° |
| O5 | C16 | H162 | 110.4° | 109.5° |
| C16 | C26 | C28 | 104.3° | 117.5° |
| C16 | C26 | C27 | 111.2° | 117.5° |
| C26 | C16 | H161 | 110.5° | 109.4° |
| C26 | C16 | H162 | 110.4° | 109.5° |
| C16 | C26 | H26 | 121.8° | 115.5° |
| C28 | C26 | C27 | 60.3° | 60.0° |
| C26 | C28 | C27 | 59.8° | 60.0° |
| C28 | C26 | H26 | 121.5° | 117.5° |
| C26 | C28 | H282 | 120.0° | 117.5° |
| C26 | C28 | H281 | 120.0° | 117.5° |
| C26 | C27 | C28 | 60.0° | 60.0° |
| C27 | C26 | H26 | 121.6° | 117.5° |
| C26 | C27 | H271 | 120.0° | 117.5° |
| C26 | C27 | H272 | 120.0° | 117.5° |
| C28 | C27 | H271 | 120.0° | 117.5° |
| C28 | C27 | H272 | 120.0° | 117.5° |
| C27 | C28 | H282 | 120.0° | 117.6° |
| C27 | C28 | H281 | 120.0° | 117.5° |
| N3 | C | C13 | 110.0° | 109.5° |
| N3 | C | C1 | 105.2° | 109.5° |
| N3 | C | H0 | 109.2° | 109.5° |
| C | N3 | HN3 | 121.0° | 120.0° |
| C13 | C | C1 | 116.2° | 109.4° |
| C | C13 | O4 | 107.9° | 109.4° |
| C | C13 | C14 | 109.7° | 109.4° |
| C13 | C | H0 | 107.9° | 109.4° |
| C | C13 | H13 | 109.4° | 109.5° |
| C | C1 | O | 122.1° | 120.0° |
| C | C1 | N | 113.9° | 120.0° |
| C1 | C | H0 | 108.3° | 109.5° |
| O4 | C13 | C14 | 109.9° | 109.5° |
| C13 | O4 | C17 | 118.3° | 114.0° |
| O4 | C13 | H13 | 110.6° | 109.5° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| O4 | C17 | C20 | 108.4° | 109.5° |
| O4 | C17 | C19 | 109.8° | 109.5° |
| O4 | C17 | C18 | 112.4° | 109.5° |
| C20 | C17 | C19 | 109.5° | 109.5° |
| C20 | C17 | C18 | 107.3° | 109.4° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.4° | 109.4° |
| C19 | C17 | C18 | 109.3° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| O | C1 | N | 124.0° | 120.0° |
| C1 | N | C2 | 121.6° | 120.0° |
| C1 | N | HN | 119.2° | 120.0° |
| N | C2 | C11 | 108.0° | 109.5° |
| N | C2 | C3 | 109.3° | 109.5° |
| C2 | N | HN | 119.2° | 120.0° |
| N | C2 | H2 | 110.7° | 109.5° |
| C11 | C2 | C3 | 109.1° | 109.4° |
| C2 | C11 | C12 | 113.9° | 109.5° |
| C2 | C11 | H111 | 108.3° | 109.5° |
| C2 | C11 | H112 | 108.3° | 109.5° |
| C11 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | O1 | 120.6° | 120.0° |
| C2 | C3 | N1 | 118.4° | 120.0° |
| C3 | C2 | H2 | 110.0° | 109.5° |
| C11 | C12 | C25 | 112.0° | 109.4° |
| C11 | C12 | C21 | 109.2° | 109.5° |
| C12 | C11 | H111 | 108.3° | 109.5° |
| C12 | C11 | H112 | 108.3° | 109.5° |
| C11 | C12 | H12 | 108.4° | 109.4° |
| C25 | C12 | C21 | 110.3° | 109.5° |
| C12 | C25 | C24 | 111.6° | 109.4° |
| C25 | C12 | H12 | 108.4° | 109.5° |
| C12 | C25 | H252 | 109.0° | 109.5° |
| C12 | C25 | H251 | 108.9° | 109.4° |
| C12 | C21 | C22 | 111.0° | 109.4° |
| C21 | C12 | H12 | 108.4° | 109.5° |
| C12 | C21 | H212 | 109.1° | 109.5° |
| C12 | C21 | H211 | 109.1° | 109.5° |
| C25 | C24 | C23 | 109.6° | 109.5° |
| C25 | C24 | H242 | 109.5° | 109.5° |
| C25 | C24 | H241 | 109.4° | 109.5° |
| C24 | C25 | H252 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| C24 | C23 | C22 | 112.6° | 109.5° |
| C24 | C23 | H232 | 108.7° | 109.5° |
| C24 | C23 | H231 | 108.7° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C22 | C21 | 109.7° | 109.5° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C23 | C22 | H221 | 109.4° | 109.5° |
| C22 | C23 | H232 | 108.7° | 109.5° |
| C22 | C23 | H231 | 108.7° | 109.5° |
| C22 | C21 | H212 | 109.1° | 109.5° |
| C22 | C21 | H211 | 109.1° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| O1 | C3 | N1 | 121.0° | 120.0° |
| C3 | N1 | C4 | 117.4° | 120.0° |
| C3 | N1 | HN1 | 121.3° | 120.0° |
| N1 | C4 | C5 | 108.2° | 109.5° |
| N1 | C4 | C6 | 108.7° | 109.5° |
| N1 | C4 | H4 | 110.1° | 109.5° |
| C4 | N1 | HN1 | 121.3° | 119.9° |
| C5 | C4 | C6 | 111.6° | 109.5° |
| C4 | C5 | O2 | 113.0° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.4° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| C4 | C5 | H | 108.6° | 109.5° |
| C4 | C6 | C7 | 110.6° | 109.4° |
| C6 | C4 | H4 | 109.1° | 109.5° |
| C4 | C6 | H62 | 109.2° | 109.5° |
| C4 | C6 | H61 | 109.2° | 109.4° |
| O2 | C5 | H5 | 108.6° | 109.4° |
| O2 | C5 | H | 108.6° | 109.5° |
| C5 | O2 | HO2 | 109.5° | 114.0° |
| C6 | C7 | C10 | 112.4° | 110.5° |
| C6 | C7 | C8 | 112.6° | 110.5° |
| C7 | C6 | H62 | 109.2° | 109.5° |
| C7 | C6 | H61 | 109.2° | 109.5° |
| C6 | C7 | H7 | 109.4° | 110.4° |
| C10 | C7 | C8 | 103.2° | 104.2° |
| C7 | C10 | O3 | 123.0° | 124.9° |
| C7 | C10 | N2 | 111.3° | 110.1° |
| C10 | C7 | H7 | 109.7° | 110.5° |
| C7 | C8 | C9 | 104.5° | 101.7° |
| C8 | C7 | H7 | 109.4° | 110.6° |
| C7 | C8 | H81 | 110.7° | 111.0° |
| C7 | C8 | H82 | 110.7° | 111.0° |
| O3 | C10 | N2 | 125.7° | 125.0° |
| C10 | N2 | C9 | 111.6° | 111.3° |
| C10 | N2 | HN2 | 124.2° | 124.3° |
| N2 | C9 | C8 | 104.7° | 105.5° |
| N2 | C9 | H92 | 110.7° | 110.4° |
| N2 | C9 | H91 | 110.6° | 110.0° |
| C9 | N2 | HN2 | 124.2° | 124.4° |
| C9 | C8 | H81 | 110.7° | 111.0° |
| C9 | C8 | H82 | 110.7° | 111.0° |
| C8 | C9 | H92 | 110.6° | 110.3° |
| C8 | C9 | H91 | 110.7° | 110.3° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H203 | C20 | H202 | 109.4° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.4° |
| H242 | C24 | H241 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 115.6° |
| H282 | C28 | H281 | 109.5° | 115.5° |
| H5 | C5 | H | 109.4° | 109.5° |
| H62 | C6 | H61 | 109.4° | 109.5° |
| H81 | C8 | H82 | 109.5° | 110.9° |
| H92 | C9 | H91 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C15 | O5 | N3 | 179.6° | 180.0° |
| O6 | C15 | O5 | C16 | 15.1° | 0.0° |
| O6 | C15 | N3 | C | 0.6° | 0.0° |
| O6 | C15 | N3 | HN3 | 179.4° | 180.0° |
| C15 | O5 | C16 | C26 | 157.7° | 180.0° |
| O5 | C15 | N3 | C | 178.9° | 180.0° |
| C15 | O5 | C16 | H161 | 82.9° | 60.0° |
| C15 | O5 | C16 | H162 | 38.4° | 60.0° |
| O5 | C15 | N3 | HN3 | 1.1° | 0.0° |
| N3 | C15 | O5 | C16 | 164.5° | 180.0° |
| C15 | N3 | C | HN3 | 180.0° | 180.0° |
| C15 | N3 | C | C13 | 125.2° | 85.0° |
| C15 | N3 | C | C1 | 109.0° | 155.0° |
| C15 | N3 | C | H0 | 7.1° | 34.9° |
| O5 | C16 | C26 | H161 | 119.4° | 120.0° |
| O5 | C16 | C26 | H162 | 119.4° | 120.1° |
| O5 | C16 | C26 | C28 | 77.0° | 175.0° |
| O5 | C16 | C26 | C27 | 13.8° | 116.4° |
| O5 | C16 | H161 | H162 | 121.8° | 120.0° |
| O5 | C16 | C26 | H26 | 140.5° | 29.4° |
| C16 | C26 | C28 | C27 | 106.4° | 107.5° |
| C16 | C26 | C28 | H26 | 142.6° | 144.9° |
| C16 | C26 | C27 | H26 | 154.3° | 145.1° |
| C26 | C16 | H161 | H162 | 121.8° | 120.0° |
| C16 | C26 | C27 | H271 | 14.6° | 0.0° |
| C16 | C26 | C27 | H272 | 155.7° | 145.0° |
| C16 | C26 | C28 | H282 | 144.2° | 144.9° |
| C16 | C26 | C28 | H281 | 3.0° | 0.0° |
| C28 | C26 | C27 | H26 | 110.8° | 107.4° |
| C26 | C28 | C27 | H282 | 109.4° | 107.5° |
| C26 | C28 | C27 | H281 | 109.4° | 107.5° |
| C28 | C26 | C16 | H161 | 163.6° | 65.0° |
| C28 | C26 | C16 | H162 | 42.3° | 54.9° |
| C28 | C26 | C27 | H271 | 109.5° | 107.5° |
| C28 | C26 | C27 | H272 | 109.5° | 107.5° |
| C26 | C28 | H282 | H281 | 144.9° | 145.6° |
| C27 | C26 | C16 | H161 | 133.1° | 3.6° |
| C27 | C26 | C16 | H162 | 105.6° | 123.6° |
| C26 | C27 | H271 | H272 | 144.7° | 145.7° |
| C28 | C27 | H271 | H272 | 144.8° | 145.7° |
| C27 | C28 | H282 | H281 | 144.9° | 145.7° |
| N3 | C | C13 | C1 | 119.3° | 120.0° |
| N3 | C | C13 | H0 | 118.9° | 120.0° |
| N3 | C | C1 | H0 | 116.6° | 120.1° |
| N3 | C | C13 | O4 | 66.1° | 65.0° |
| N3 | C | C13 | C14 | 174.2° | 55.0° |
| N3 | C | C1 | O | 67.1° | 0.1° |
| N3 | C | C1 | N | 110.3° | 180.0° |
| N3 | C | C13 | H13 | 54.2° | 175.0° |
| C13 | C | C1 | H0 | 121.5° | 119.9° |
| C | C13 | O4 | C14 | 119.5° | 119.9° |
| C | C13 | O4 | H13 | 119.5° | 120.0° |
| C | C13 | C14 | H13 | 119.9° | 120.0° |
| C | C13 | O4 | C17 | 131.2° | 141.0° |
| C13 | C | C1 | O | 54.8° | 120.1° |
| C13 | C | C1 | N | 127.8° | 60.0° |
| C | C13 | C14 | H142 | 180.0° | 60.5° |
| C | C13 | C14 | H143 | 60.0° | 179.5° |
| C | C13 | C14 | H141 | 60.0° | 59.5° |
| C13 | C | N3 | HN3 | 54.8° | 95.0° |
| C1 | C | C13 | O4 | 174.6° | 55.0° |
| C1 | C | C13 | C14 | 54.9° | 175.0° |
| C | C1 | O | N | 177.1° | 179.9° |
| C | C1 | N | C2 | 166.6° | 180.0° |
| C | C1 | N | HN | 13.4° | 0.2° |
| C1 | C | C13 | H13 | 65.1° | 65.0° |
| C1 | C | N3 | HN3 | 71.0° | 24.9° |
| O4 | C13 | C14 | H13 | 121.6° | 120.1° |
| C13 | O4 | C17 | C20 | 167.4° | 174.4° |
| C13 | O4 | C17 | C19 | 73.1° | 65.6° |
| C13 | O4 | C17 | C18 | 48.9° | 54.4° |
| O4 | C13 | C | H0 | 52.9° | 175.0° |
| O4 | C13 | C14 | H142 | 61.5° | 59.4° |
| O4 | C13 | C14 | H143 | 178.4° | 60.6° |
| O4 | C13 | C14 | H141 | 58.4° | 179.4° |
| C14 | C13 | O4 | C17 | 109.2° | 99.1° |
| C14 | C13 | C | H0 | 66.9° | 65.1° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H143 | H141 | 120.0° | 120.0° |
| O4 | C17 | C20 | C19 | 119.8° | 120.0° |
| O4 | C17 | C20 | C18 | 121.7° | 120.0° |
| O4 | C17 | C19 | C18 | 123.8° | 120.0° |
| C17 | O4 | C13 | H13 | 11.7° | 20.9° |
| O4 | C17 | C18 | H182 | 180.0° | 54.6° |
| O4 | C17 | C18 | H183 | 60.0° | 174.7° |
| O4 | C17 | C18 | H181 | 60.0° | 65.4° |
| O4 | C17 | C19 | H192 | 180.0° | 60.1° |
| O4 | C17 | C19 | H191 | 60.0° | 180.0° |
| O4 | C17 | C19 | H193 | 60.0° | 60.0° |
| O4 | C17 | C20 | H203 | 180.0° | 59.9° |
| O4 | C17 | C20 | H202 | 60.0° | 180.0° |
| O4 | C17 | C20 | H201 | 60.0° | 59.9° |
| C20 | C17 | C19 | C18 | 117.3° | 120.0° |
| C20 | C17 | C18 | H182 | 60.9° | 65.4° |
| C20 | C17 | C18 | H183 | 179.1° | 54.6° |
| C20 | C17 | C18 | H181 | 59.1° | 174.6° |
| C20 | C17 | C19 | H192 | 61.1° | 179.9° |
| C20 | C17 | C19 | H191 | 58.9° | 60.0° |
| C20 | C17 | C19 | H193 | 178.9° | 60.0° |
| C17 | C20 | H203 | H202 | 120.0° | 120.1° |
| C17 | C20 | H203 | H201 | 120.0° | 119.9° |
| C17 | C20 | H202 | H201 | 120.0° | 120.0° |
| C19 | C17 | C18 | H182 | 57.8° | 174.6° |
| C19 | C17 | C18 | H183 | 62.2° | 65.4° |
| C19 | C17 | C18 | H181 | 177.7° | 54.6° |
| C17 | C19 | H192 | H191 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.1° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C19 | C17 | C20 | H203 | 60.2° | 60.1° |
| C19 | C17 | C20 | H202 | 179.8° | 60.0° |
| C19 | C17 | C20 | H201 | 59.8° | 179.9° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 119.9° |
| C18 | C17 | C19 | H192 | 56.2° | 59.9° |
| C18 | C17 | C19 | H191 | 176.2° | 60.0° |
| C18 | C17 | C19 | H193 | 63.8° | 180.0° |
| C18 | C17 | C20 | H203 | 58.3° | 180.0° |
| C18 | C17 | C20 | H202 | 61.7° | 60.0° |
| C18 | C17 | C20 | H201 | 178.3° | 60.1° |
| O | C1 | N | C2 | 16.1° | 0.0° |
| O | C1 | N | HN | 163.9° | 179.7° |
| O | C1 | C | H0 | 176.2° | 120.1° |
| C1 | N | C2 | HN | 180.0° | 179.8° |
| C1 | N | C2 | C11 | 176.2° | 84.8° |
| C1 | N | C2 | C3 | 57.6° | 155.3° |
| N | C1 | C | H0 | 6.4° | 59.9° |
| C1 | N | C2 | H2 | 63.8° | 35.3° |
| N | C2 | C11 | C3 | 118.7° | 120.0° |
| N | C2 | C11 | H2 | 120.7° | 120.1° |
| N | C2 | C3 | H2 | 121.8° | 120.0° |
| N | C2 | C11 | C12 | 99.8° | 65.0° |
| N | C2 | C3 | O1 | 50.7° | 0.0° |
| N | C2 | C3 | N1 | 128.7° | 180.0° |
| N | C2 | C11 | H111 | 20.9° | 175.0° |
| N | C2 | C11 | H112 | 139.6° | 55.0° |
| C11 | C2 | C3 | H2 | 120.3° | 120.0° |
| C2 | C11 | C12 | H111 | 120.6° | 120.0° |
| C2 | C11 | C12 | H112 | 120.6° | 120.0° |
| C2 | C11 | C12 | C25 | 21.6° | 175.0° |
| C2 | C11 | C12 | C21 | 144.1° | 65.0° |
| C11 | C2 | C3 | O1 | 67.1° | 120.0° |
| C11 | C2 | C3 | N1 | 113.5° | 60.0° |
| C11 | C2 | N | HN | 3.8° | 95.0° |
| C2 | C11 | H111 | H112 | 118.0° | 120.0° |
| C2 | C11 | C12 | H12 | 98.0° | 55.0° |
| C3 | C2 | C11 | C12 | 141.5° | 175.0° |
| C2 | C3 | O1 | N1 | 179.4° | 180.0° |
| C2 | C3 | N1 | C4 | 174.1° | 180.0° |
| C3 | C2 | N | HN | 122.4° | 25.0° |
| C3 | C2 | C11 | H111 | 97.9° | 55.0° |
| C3 | C2 | C11 | H112 | 20.8° | 65.0° |
| C2 | C3 | N1 | HN1 | 5.9° | 0.0° |
| C11 | C12 | C25 | C21 | 121.9° | 120.0° |
| C11 | C12 | C25 | H12 | 119.6° | 120.0° |
| C11 | C12 | C21 | H12 | 117.9° | 119.9° |
| C11 | C12 | C25 | C24 | 178.8° | 180.0° |
| C11 | C12 | C21 | C22 | 179.5° | 180.0° |
| C12 | C11 | H111 | H112 | 118.0° | 120.0° |
| C12 | C11 | C2 | H2 | 20.9° | 55.0° |
| C11 | C12 | C21 | H212 | 60.3° | 60.0° |
| C11 | C12 | C21 | H211 | 59.2° | 59.9° |
| C11 | C12 | C25 | H252 | 60.8° | 60.0° |
| C11 | C12 | C25 | H251 | 58.5° | 60.0° |
| C25 | C12 | C21 | H12 | 118.6° | 120.1° |
| C12 | C25 | C24 | H252 | 120.3° | 120.0° |
| C12 | C25 | C24 | H251 | 120.3° | 119.9° |
| C12 | C25 | C24 | C23 | 55.9° | 60.0° |
| C25 | C12 | C21 | C22 | 57.0° | 60.0° |
| C25 | C12 | C11 | H111 | 99.0° | 65.0° |
| C25 | C12 | C11 | H112 | 142.3° | 55.0° |
| C25 | C12 | C21 | H212 | 63.2° | 60.0° |
| C25 | C12 | C21 | H211 | 177.2° | 179.9° |
| C12 | C25 | C24 | H242 | 64.1° | 180.0° |
| C12 | C25 | C24 | H241 | 176.0° | 60.0° |
| C12 | C25 | H252 | H251 | 119.0° | 120.0° |
| C21 | C12 | C25 | C24 | 57.0° | 60.0° |
| C12 | C21 | C22 | C23 | 56.4° | 60.0° |
| C12 | C21 | C22 | H212 | 120.2° | 120.0° |
| C12 | C21 | C22 | H211 | 120.2° | 120.0° |
| C21 | C12 | C11 | H111 | 23.5° | 55.0° |
| C21 | C12 | C11 | H112 | 95.2° | 175.0° |
| C12 | C21 | H212 | H211 | 119.3° | 119.9° |
| C12 | C21 | C22 | H222 | 63.6° | 180.0° |
| C12 | C21 | C22 | H221 | 176.5° | 60.0° |
| C21 | C12 | C25 | H252 | 177.3° | 180.0° |
| C21 | C12 | C25 | H251 | 63.3° | 59.9° |
| C25 | C24 | C23 | H242 | 120.0° | 120.0° |
| C25 | C24 | C23 | H241 | 120.0° | 120.0° |
| C25 | C24 | C23 | C22 | 56.3° | 60.0° |
| C24 | C25 | C12 | H12 | 61.6° | 60.0° |
| C25 | C24 | C23 | H232 | 176.8° | 60.0° |
| C25 | C24 | C23 | H231 | 64.2° | 180.0° |
| C25 | C24 | H242 | H241 | 120.0° | 120.0° |
| C24 | C25 | H252 | H251 | 119.0° | 120.0° |
| C24 | C23 | C22 | H232 | 120.5° | 120.0° |
| C24 | C23 | C22 | H231 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 56.8° | 60.0° |
| C24 | C23 | C22 | H222 | 63.2° | 180.0° |
| C24 | C23 | C22 | H221 | 176.8° | 60.0° |
| C24 | C23 | H232 | H231 | 118.5° | 120.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H252 | 176.3° | 180.0° |
| C23 | C24 | C25 | H251 | 64.4° | 59.9° |
| C23 | C22 | C21 | H222 | 120.0° | 120.0° |
| C23 | C22 | C21 | H221 | 120.0° | 120.0° |
| C23 | C22 | C21 | H212 | 63.8° | 60.0° |
| C23 | C22 | C21 | H211 | 176.7° | 180.0° |
| C23 | C22 | H222 | H221 | 119.9° | 120.0° |
| C22 | C23 | H232 | H231 | 118.6° | 120.0° |
| C22 | C23 | C24 | H242 | 63.7° | 180.0° |
| C22 | C23 | C24 | H241 | 176.3° | 60.0° |
| C22 | C21 | C12 | H12 | 61.6° | 60.1° |
| C22 | C21 | H212 | H211 | 119.3° | 120.1° |
| C21 | C22 | H222 | H221 | 119.9° | 120.0° |
| C21 | C22 | C23 | H232 | 177.3° | 60.0° |
| C21 | C22 | C23 | H231 | 63.7° | 180.0° |
| O1 | C3 | N1 | C4 | 6.5° | 0.0° |
| O1 | C3 | C2 | H2 | 172.6° | 120.0° |
| O1 | C3 | N1 | HN1 | 173.5° | 179.9° |
| C3 | N1 | C4 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C4 | C5 | 117.4° | 83.2° |
| C3 | N1 | C4 | C6 | 121.2° | 156.8° |
| N1 | C3 | C2 | H2 | 6.8° | 60.0° |
| C3 | N1 | C4 | H4 | 1.7° | 36.7° |
| N1 | C4 | C5 | C6 | 119.6° | 120.0° |
| N1 | C4 | C5 | H4 | 119.8° | 119.9° |
| N1 | C4 | C6 | H4 | 120.1° | 120.0° |
| N1 | C4 | C5 | O2 | 178.3° | 65.0° |
| N1 | C4 | C6 | C7 | 62.2° | 65.5° |
| N1 | C4 | C5 | H5 | 61.1° | 55.0° |
| N1 | C4 | C5 | H | 57.8° | 175.0° |
| N1 | C4 | C6 | H62 | 58.0° | 54.6° |
| N1 | C4 | C6 | H61 | 177.6° | 174.6° |
| C5 | C4 | C6 | H4 | 120.6° | 120.0° |
| C4 | C5 | O2 | H5 | 120.5° | 120.0° |
| C4 | C5 | O2 | H | 120.6° | 120.0° |
| C5 | C4 | C6 | C7 | 178.5° | 174.5° |
| C4 | C5 | H5 | H | 118.4° | 120.0° |
| C5 | C4 | C6 | H62 | 61.3° | 65.4° |
| C5 | C4 | C6 | H61 | 58.3° | 54.6° |
| C5 | C4 | N1 | HN1 | 62.6° | 96.9° |
| C4 | C5 | O2 | HO2 | 180.0° | 180.0° |
| C6 | C4 | C5 | O2 | 62.1° | 55.0° |
| C4 | C6 | C7 | H62 | 120.2° | 120.0° |
| C4 | C6 | C7 | H61 | 120.2° | 119.9° |
| C4 | C6 | C7 | C10 | 175.1° | 175.4° |
| C4 | C6 | C7 | C8 | 68.8° | 69.8° |
| C6 | C4 | C5 | H5 | 58.4° | 175.0° |
| C6 | C4 | C5 | H | 177.3° | 65.0° |
| C4 | C6 | H62 | H61 | 119.5° | 120.0° |
| C4 | C6 | C7 | H7 | 53.1° | 52.9° |
| C6 | C4 | N1 | HN1 | 58.8° | 23.1° |
| O2 | C5 | C4 | H4 | 58.6° | 175.0° |
| O2 | C5 | H5 | H | 118.4° | 120.0° |
| C6 | C7 | C10 | C8 | 121.6° | 118.7° |
| C6 | C7 | C10 | H7 | 121.9° | 122.5° |
| C6 | C7 | C8 | H7 | 121.8° | 122.6° |
| C6 | C7 | C10 | O3 | 51.0° | 45.0° |
| C6 | C7 | C10 | N2 | 130.0° | 135.2° |
| C6 | C7 | C8 | C9 | 139.7° | 143.5° |
| C7 | C6 | C4 | H4 | 57.9° | 54.6° |
| C7 | C6 | H62 | H61 | 119.5° | 120.0° |
| C6 | C7 | C8 | H81 | 20.4° | 25.4° |
| C6 | C7 | C8 | H82 | 101.1° | 98.4° |
| C10 | C7 | C8 | H7 | 116.7° | 118.7° |
| C7 | C10 | O3 | N2 | 178.8° | 179.8° |
| C7 | C10 | N2 | C9 | 5.9° | 0.1° |
| C10 | C7 | C8 | C9 | 18.2° | 24.8° |
| C10 | C7 | C6 | H62 | 54.9° | 55.4° |
| C10 | C7 | C6 | H61 | 64.7° | 64.7° |
| C10 | C7 | C8 | H81 | 101.0° | 93.3° |
| C10 | C7 | C8 | H82 | 137.4° | 142.9° |
| C7 | C10 | N2 | HN2 | 174.1° | 179.6° |
| C8 | C7 | C10 | O3 | 172.7° | 163.7° |
| C8 | C7 | C10 | N2 | 8.4° | 16.5° |
| C7 | C8 | C9 | N2 | 21.8° | 25.2° |
| C7 | C8 | C9 | H81 | 119.2° | 118.1° |
| C7 | C8 | C9 | H82 | 119.2° | 118.1° |
| C8 | C7 | C6 | H62 | 171.0° | 170.2° |
| C8 | C7 | C6 | H61 | 51.4° | 50.2° |
| C7 | C8 | H81 | H82 | 122.3° | 123.8° |
| C7 | C8 | C9 | H92 | 97.5° | 144.4° |
| C7 | C8 | C9 | H91 | 141.0° | 93.5° |
| O3 | C10 | N2 | C9 | 173.0° | 179.7° |
| O3 | C10 | C7 | H7 | 70.8° | 77.5° |
| O3 | C10 | N2 | HN2 | 7.0° | 0.6° |
| C10 | N2 | C9 | HN2 | 180.0° | 179.6° |
| C10 | N2 | C9 | C8 | 17.7° | 16.7° |
| N2 | C10 | C7 | H7 | 108.1° | 102.3° |
| C10 | N2 | C9 | H92 | 101.6° | 135.8° |
| C10 | N2 | C9 | H91 | 136.9° | 102.3° |
| N2 | C9 | C8 | H92 | 119.3° | 119.2° |
| N2 | C9 | C8 | H91 | 119.2° | 118.8° |
| N2 | C9 | C8 | H81 | 97.5° | 92.9° |
| N2 | C9 | C8 | H82 | 140.9° | 143.3° |
| N2 | C9 | H92 | H91 | 122.2° | 121.8° |
| C9 | C8 | C7 | H7 | 98.5° | 93.9° |
| C9 | C8 | H81 | H82 | 122.3° | 123.8° |
| C8 | C9 | H92 | H91 | 122.2° | 122.0° |
| C8 | C9 | N2 | HN2 | 162.3° | 163.0° |
| HN | N | C2 | H2 | 116.2° | 145.0° |
| H0 | C | C13 | H13 | 173.2° | 54.9° |
| H0 | C | N3 | HN3 | 172.9° | 145.0° |
| H111 | C11 | C12 | H12 | 141.4° | 174.9° |
| H111 | C11 | C2 | H2 | 141.6° | 64.9° |
| H112 | C11 | C12 | H12 | 22.6° | 65.0° |
| H112 | C11 | C2 | H2 | 99.7° | 175.0° |
| H12 | C12 | C21 | H212 | 178.2° | 179.9° |
| H12 | C12 | C21 | H211 | 58.6° | 60.0° |
| H12 | C12 | C25 | H252 | 58.7° | 60.0° |
| H12 | C12 | C25 | H251 | 178.1° | 180.0° |
| H13 | C13 | C14 | H142 | 60.1° | 179.5° |
| H13 | C13 | C14 | H143 | 59.9° | 59.5° |
| H13 | C13 | C14 | H141 | 179.9° | 60.5° |
| H142 | C14 | H143 | H141 | 120.0° | 120.0° |
| H161 | C16 | C26 | H26 | 21.1° | 149.4° |
| H162 | C16 | C26 | H26 | 100.1° | 90.6° |
| H182 | C18 | H183 | H181 | 120.0° | 120.0° |
| H192 | C19 | H191 | H193 | 120.0° | 120.0° |
| H203 | C20 | H202 | H201 | 120.0° | 119.9° |
| H212 | C21 | C22 | H222 | 176.2° | 60.0° |
| H212 | C21 | C22 | H221 | 56.2° | 180.0° |
| H211 | C21 | C22 | H222 | 56.6° | 60.0° |
| H211 | C21 | C22 | H221 | 63.3° | 60.0° |
| H222 | C22 | C23 | H232 | 57.3° | 60.0° |
| H222 | C22 | C23 | H231 | 176.3° | 60.0° |
| H221 | C22 | C23 | H232 | 62.7° | 180.0° |
| H221 | C22 | C23 | H231 | 56.3° | 60.0° |
| H232 | C23 | C24 | H242 | 56.8° | 60.0° |
| H232 | C23 | C24 | H241 | 63.2° | 180.0° |
| H231 | C23 | C24 | H242 | 175.8° | 60.0° |
| H231 | C23 | C24 | H241 | 55.9° | 60.0° |
| H242 | C24 | C25 | H252 | 56.3° | 60.0° |
| H242 | C24 | C25 | H251 | 175.6° | 60.0° |
| H241 | C24 | C25 | H252 | 63.7° | 60.0° |
| H241 | C24 | C25 | H251 | 55.7° | 180.0° |
| H26 | C26 | C27 | H271 | 139.7° | 145.1° |
| H26 | C26 | C27 | H272 | 1.3° | 0.0° |
| H26 | C26 | C28 | H282 | 1.6° | 0.0° |
| H26 | C26 | C28 | H281 | 139.7° | 144.9° |
| H271 | C27 | C28 | H282 | 141.1° | 145.0° |
| H271 | C27 | C28 | H281 | 0.0° | 0.1° |
| H272 | C27 | C28 | H282 | 0.1° | 0.0° |
| H272 | C27 | C28 | H281 | 141.1° | 145.1° |
| H4 | C4 | C5 | H5 | 179.1° | 65.0° |
| H4 | C4 | C5 | H | 62.0° | 55.1° |
| H4 | C4 | C6 | H62 | 178.0° | 174.6° |
| H4 | C4 | C6 | H61 | 62.3° | 65.4° |
| H4 | C4 | N1 | HN1 | 178.3° | 143.2° |
| H5 | C5 | O2 | HO2 | 59.5° | 60.0° |
| H | C5 | O2 | HO2 | 59.4° | 60.0° |
| H62 | C6 | C7 | H7 | 67.1° | 67.1° |
| H61 | C6 | C7 | H7 | 173.2° | 172.8° |
| H7 | C7 | C8 | H81 | 142.3° | 147.9° |
| H7 | C7 | C8 | H82 | 20.7° | 24.2° |
| H81 | C8 | C9 | H92 | 143.3° | 26.3° |
| H81 | C8 | C9 | H91 | 21.8° | 148.3° |
| H82 | C8 | C9 | H92 | 21.7° | 97.5° |
| H82 | C8 | C9 | H91 | 99.8° | 24.6° |
| H92 | C9 | N2 | HN2 | 78.4° | 43.9° |
| H91 | C9 | N2 | HN2 | 43.0° | 78.1° |
