A1ARK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C15 | doub | 1.21Å | 1.23Å | |
| O5 | C15 | sing | 1.35Å | 1.45Å | |
| C15 | N3 | sing | 1.35Å | 1.32Å | |
| C16 | O5 | sing | 1.45Å | 1.44Å | |
| C27 | C16 | sing | 1.53Å | 1.54Å | |
| F1 | C27 | sing | 1.40Å | 1.33Å | |
| F2 | C27 | sing | 1.40Å | 1.34Å | |
| F3 | C27 | sing | 1.40Å | 1.33Å | |
| N3 | C | sing | 1.47Å | 1.45Å | |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| O4 | C13 | sing | 1.43Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C17 | O4 | sing | 1.43Å | 1.43Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| 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 | 1.47Å | 1.45Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C21 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C4 | sing | 1.46Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| N2 | C10 | sing | 1.34Å | 1.32Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | N2 | sing | 1.47Å | 1.45Å | |
| 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 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | 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 | 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 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | 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 | 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 | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C15 | O5 | 119.7° | 120.0° |
| O6 | C15 | N3 | 123.3° | 120.0° |
| O5 | C15 | N3 | 117.0° | 120.0° |
| C15 | O5 | C16 | 121.4° | 117.0° |
| C15 | N3 | C | 122.5° | 120.0° |
| C15 | N3 | HN3 | 118.7° | 120.0° |
| O5 | C16 | C27 | 109.9° | 109.5° |
| O5 | C16 | H162 | 109.4° | 109.4° |
| O5 | C16 | H16 | 109.4° | 109.5° |
| C16 | C27 | F1 | 110.6° | 109.4° |
| C16 | C27 | F2 | 107.0° | 109.5° |
| C16 | C27 | F3 | 111.2° | 109.5° |
| C27 | C16 | H162 | 109.4° | 109.4° |
| C27 | C16 | H16 | 109.4° | 109.5° |
| F1 | C27 | F2 | 111.7° | 109.5° |
| F1 | C27 | F3 | 105.2° | 109.4° |
| F2 | C27 | F3 | 111.1° | 109.5° |
| N3 | C | C13 | 110.3° | 109.5° |
| N3 | C | C1 | 111.2° | 109.5° |
| N3 | C | H0 | 110.5° | 109.5° |
| C | N3 | HN3 | 118.7° | 120.0° |
| C13 | C | C1 | 105.6° | 109.5° |
| C | C13 | O4 | 108.2° | 109.5° |
| C | C13 | C14 | 110.4° | 109.5° |
| C13 | C | H0 | 109.3° | 109.5° |
| C | C13 | H13 | 104.6° | 109.5° |
| C | C1 | O | 121.1° | 120.0° |
| C | C1 | N | 115.3° | 120.0° |
| C1 | C | H0 | 109.8° | 109.4° |
| O4 | C13 | C14 | 122.1° | 109.5° |
| C13 | O4 | C17 | 126.9° | 114.0° |
| O4 | C13 | H13 | 105.5° | 109.4° |
| C14 | C13 | H13 | 104.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| O4 | C17 | C20 | 109.0° | 109.5° |
| O4 | C17 | C19 | 104.3° | 109.5° |
| O4 | C17 | C18 | 114.5° | 109.5° |
| C20 | C17 | C19 | 110.9° | 109.5° |
| C20 | C17 | C18 | 113.2° | 109.5° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.4° |
| C17 | C20 | H201 | 109.5° | 109.4° |
| C19 | C17 | C18 | 104.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| O | C1 | N | 123.5° | 120.0° |
| C1 | N | C2 | 120.5° | 120.0° |
| C1 | N | HN | 119.7° | 120.0° |
| N | C2 | C11 | 107.5° | 109.4° |
| N | C2 | C3 | 110.7° | 109.5° |
| C2 | N | HN | 119.8° | 120.0° |
| N | C2 | H2 | 110.2° | 109.5° |
| C11 | C2 | C3 | 109.9° | 109.5° |
| C2 | C11 | C12 | 117.3° | 109.5° |
| C2 | C11 | H111 | 107.5° | 109.5° |
| C2 | C11 | H112 | 107.5° | 109.5° |
| C11 | C2 | H2 | 109.1° | 109.4° |
| C2 | C3 | O1 | 122.4° | 120.0° |
| C2 | C3 | N1 | 117.8° | 120.0° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C11 | C12 | C25 | 113.4° | 109.5° |
| C11 | C12 | C21 | 106.8° | 109.5° |
| C12 | C11 | H111 | 107.5° | 109.4° |
| C12 | C11 | H112 | 107.5° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C25 | C12 | C21 | 110.4° | 109.5° |
| C12 | C25 | C24 | 112.5° | 109.5° |
| C25 | C12 | H12 | 108.7° | 109.4° |
| C12 | C25 | H251 | 108.7° | 109.5° |
| C12 | C25 | H252 | 108.7° | 109.4° |
| C12 | C21 | C22 | 114.0° | 109.5° |
| C21 | C12 | H12 | 108.7° | 109.5° |
| C12 | C21 | H211 | 108.3° | 109.5° |
| C12 | C21 | H212 | 108.3° | 109.5° |
| C25 | C24 | C23 | 111.7° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.5° |
| C25 | C24 | H241 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.7° | 109.5° |
| C24 | C25 | H252 | 108.7° | 109.5° |
| C24 | C23 | C22 | 109.0° | 109.5° |
| C24 | C23 | H232 | 109.6° | 109.5° |
| C24 | C23 | H231 | 109.6° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.4° |
| C23 | C24 | H241 | 108.9° | 109.4° |
| C23 | C22 | C21 | 111.3° | 109.4° |
| C23 | C22 | H222 | 109.0° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.4° |
| C22 | C23 | H232 | 109.6° | 109.5° |
| C22 | C23 | H231 | 109.6° | 109.5° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C22 | C21 | H212 | 108.3° | 109.4° |
| C21 | C22 | H222 | 109.0° | 109.5° |
| C21 | C22 | H221 | 109.0° | 109.5° |
| O1 | C3 | N1 | 119.8° | 120.0° |
| C3 | N1 | C4 | 119.3° | 120.0° |
| C3 | N1 | HN1 | 120.4° | 120.0° |
| N1 | C4 | C5 | 108.8° | 109.5° |
| N1 | C4 | C6 | 113.0° | 109.4° |
| N1 | C4 | H4 | 110.2° | 109.5° |
| C4 | N1 | HN1 | 120.3° | 120.0° |
| C5 | C4 | C6 | 106.3° | 109.5° |
| C4 | C5 | O2 | 111.2° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C4 | C5 | H | 109.1° | 109.5° |
| C4 | C6 | C7 | 114.0° | 109.5° |
| C6 | C4 | H4 | 109.2° | 109.5° |
| C4 | C6 | H62 | 108.3° | 109.5° |
| C4 | C6 | H61 | 108.3° | 109.5° |
| O2 | C5 | H5 | 109.0° | 109.4° |
| O2 | C5 | H | 109.0° | 109.5° |
| C5 | O2 | HO2 | 109.5° | 114.1° |
| C6 | C7 | C10 | 108.5° | 110.5° |
| C6 | C7 | C8 | 110.4° | 110.5° |
| C7 | C6 | H62 | 108.3° | 109.5° |
| C7 | C6 | H61 | 108.3° | 109.4° |
| C6 | C7 | H7 | 111.2° | 110.4° |
| C10 | C7 | C8 | 104.2° | 104.2° |
| C7 | C10 | O3 | 123.4° | 124.9° |
| C7 | C10 | N2 | 110.7° | 110.2° |
| C10 | C7 | H7 | 111.3° | 110.5° |
| C7 | C8 | C9 | 105.2° | 101.7° |
| C8 | C7 | H7 | 111.1° | 110.6° |
| C7 | C8 | H81 | 110.5° | 110.9° |
| C7 | C8 | H82 | 110.5° | 110.9° |
| O3 | C10 | N2 | 125.9° | 124.9° |
| C10 | N2 | C9 | 111.8° | 111.3° |
| C10 | N2 | HN2 | 124.0° | 124.4° |
| C8 | C9 | N2 | 104.9° | 105.6° |
| C9 | C8 | H81 | 110.5° | 111.0° |
| C9 | C8 | H82 | 110.5° | 111.0° |
| C8 | C9 | H91 | 110.6° | 110.2° |
| C8 | C9 | H92 | 110.6° | 110.3° |
| N2 | C9 | H91 | 110.6° | 110.4° |
| N2 | C9 | H92 | 110.6° | 110.1° |
| C9 | N2 | HN2 | 124.1° | 124.3° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.4° | 109.6° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H162 | C16 | H16 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.4° | 109.5° |
| H193 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.6° |
| H202 | C20 | H201 | 109.4° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H5 | C5 | H | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.4° |
| 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) |
| O6 | C15 | O5 | N3 | 179.2° | 179.9° |
| O6 | C15 | O5 | C16 | 31.3° | 0.1° |
| O6 | C15 | N3 | C | 78.4° | 0.0° |
| O6 | C15 | N3 | HN3 | 101.6° | 180.0° |
| C15 | O5 | C16 | C27 | 78.9° | 180.0° |
| O5 | C15 | N3 | C | 100.7° | 180.0° |
| C15 | O5 | C16 | H162 | 41.2° | 60.1° |
| C15 | O5 | C16 | H16 | 161.0° | 59.9° |
| O5 | C15 | N3 | HN3 | 79.3° | 0.0° |
| N3 | C15 | O5 | C16 | 149.5° | 180.0° |
| C15 | N3 | C | HN3 | 180.0° | 180.0° |
| C15 | N3 | C | C13 | 126.2° | 85.0° |
| C15 | N3 | C | C1 | 116.9° | 155.0° |
| C15 | N3 | C | H0 | 5.2° | 35.0° |
| O5 | C16 | C27 | H162 | 120.1° | 120.0° |
| O5 | C16 | C27 | H16 | 120.1° | 120.1° |
| O5 | C16 | C27 | F1 | 132.6° | 60.0° |
| O5 | C16 | C27 | F2 | 105.5° | 180.0° |
| O5 | C16 | C27 | F3 | 16.0° | 59.9° |
| O5 | C16 | H162 | H16 | 119.8° | 120.1° |
| C16 | C27 | F1 | F2 | 119.1° | 120.0° |
| C16 | C27 | F1 | F3 | 120.3° | 120.0° |
| C16 | C27 | F2 | F3 | 121.6° | 120.0° |
| C27 | C16 | H162 | H16 | 119.8° | 119.9° |
| F1 | C27 | F2 | F3 | 117.1° | 120.0° |
| F1 | C27 | C16 | H162 | 107.3° | 180.0° |
| F1 | C27 | C16 | H16 | 12.5° | 60.1° |
| F2 | C27 | C16 | H162 | 14.5° | 60.0° |
| F2 | C27 | C16 | H16 | 134.4° | 59.9° |
| F3 | C27 | C16 | H162 | 136.1° | 60.0° |
| F3 | C27 | C16 | H16 | 104.1° | 180.0° |
| N3 | C | C13 | C1 | 120.3° | 120.0° |
| N3 | C | C13 | H0 | 121.7° | 120.0° |
| N3 | C | C1 | H0 | 122.6° | 120.0° |
| N3 | C | C13 | O4 | 40.7° | 65.0° |
| N3 | C | C13 | C14 | 176.7° | 55.0° |
| N3 | C | C1 | O | 68.5° | 0.0° |
| N3 | C | C1 | N | 112.8° | 180.0° |
| N3 | C | C13 | H13 | 71.4° | 175.0° |
| C13 | C | C1 | H0 | 117.8° | 120.0° |
| C | C13 | O4 | C14 | 129.8° | 120.0° |
| C | C13 | O4 | H13 | 111.5° | 120.0° |
| C | C13 | C14 | H13 | 112.0° | 120.0° |
| C | C13 | O4 | C17 | 131.1° | 143.6° |
| C13 | C | C1 | O | 51.2° | 119.9° |
| C13 | C | C1 | N | 127.5° | 60.0° |
| C | C13 | C14 | H142 | 180.0° | 174.8° |
| C | C13 | C14 | H143 | 60.0° | 54.8° |
| C | C13 | C14 | H141 | 60.0° | 65.1° |
| C13 | C | N3 | HN3 | 53.8° | 95.0° |
| C1 | C | C13 | O4 | 161.0° | 55.0° |
| C1 | C | C13 | C14 | 63.0° | 175.0° |
| C | C1 | O | N | 178.6° | 179.9° |
| C | C1 | N | C2 | 171.4° | 174.7° |
| C | C1 | N | HN | 8.6° | 5.0° |
| C1 | C | C13 | H13 | 48.9° | 64.9° |
| C1 | C | N3 | HN3 | 63.0° | 25.0° |
| O4 | C13 | C14 | H13 | 119.2° | 120.0° |
| C13 | O4 | C17 | C20 | 69.5° | 175.2° |
| C13 | O4 | C17 | C19 | 171.9° | 64.8° |
| C13 | O4 | C17 | C18 | 58.4° | 55.2° |
| O4 | C13 | C | H0 | 80.9° | 175.0° |
| O4 | C13 | C14 | H142 | 51.2° | 65.2° |
| O4 | C13 | C14 | H143 | 171.2° | 174.8° |
| O4 | C13 | C14 | H141 | 68.8° | 54.9° |
| C14 | C13 | O4 | C17 | 1.4° | 96.3° |
| C14 | C13 | C | H0 | 55.0° | 65.1° |
| C13 | C14 | H142 | H143 | 120.0° | 119.9° |
| C13 | C14 | H142 | H141 | 120.0° | 120.1° |
| C13 | C14 | H143 | H141 | 120.0° | 120.0° |
| O4 | C17 | C20 | C19 | 114.3° | 120.0° |
| O4 | C17 | C20 | C18 | 128.6° | 120.0° |
| O4 | C17 | C19 | C18 | 120.5° | 120.0° |
| C17 | O4 | C13 | H13 | 117.4° | 23.7° |
| O4 | C17 | C18 | H183 | 180.0° | 58.2° |
| O4 | C17 | C18 | H182 | 60.0° | 178.2° |
| O4 | C17 | C18 | H181 | 60.0° | 61.9° |
| O4 | C17 | C19 | H193 | 180.0° | 60.0° |
| O4 | C17 | C19 | H191 | 60.0° | 180.0° |
| O4 | C17 | C19 | H192 | 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° |
| C20 | C17 | C19 | C18 | 122.3° | 120.0° |
| C20 | C17 | C18 | H183 | 54.3° | 61.8° |
| C20 | C17 | C18 | H182 | 174.3° | 58.2° |
| C20 | C17 | C18 | H181 | 65.7° | 178.2° |
| C20 | C17 | C19 | H193 | 62.8° | 180.0° |
| C20 | C17 | C19 | H191 | 57.2° | 60.0° |
| C20 | C17 | C19 | H192 | 177.2° | 60.0° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C17 | C20 | H202 | H201 | 120.0° | 119.9° |
| C17 | C20 | H203 | H201 | 120.0° | 119.9° |
| C19 | C17 | C18 | H183 | 66.6° | 178.3° |
| C19 | C17 | C18 | H182 | 53.4° | 61.8° |
| C19 | C17 | C18 | H181 | 173.5° | 58.2° |
| C17 | C19 | H193 | H191 | 120.0° | 120.0° |
| C17 | C19 | H193 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | C17 | C20 | H202 | 65.7° | 60.1° |
| C19 | C17 | C20 | H203 | 174.3° | 60.0° |
| C19 | C17 | C20 | H201 | 54.2° | 180.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 120.1° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | C17 | C19 | H193 | 59.5° | 60.0° |
| C18 | C17 | C19 | H191 | 179.5° | 60.0° |
| C18 | C17 | C19 | H192 | 60.5° | 180.0° |
| C18 | C17 | C20 | H202 | 51.4° | 179.9° |
| C18 | C17 | C20 | H203 | 68.6° | 60.0° |
| C18 | C17 | C20 | H201 | 171.3° | 60.0° |
| O | C1 | N | C2 | 7.3° | 5.4° |
| O | C1 | N | HN | 172.7° | 174.9° |
| O | C1 | C | H0 | 168.9° | 120.0° |
| C1 | N | C2 | HN | 180.0° | 179.7° |
| C1 | N | C2 | C11 | 179.0° | 81.8° |
| C1 | N | C2 | C3 | 58.9° | 158.1° |
| N | C1 | C | H0 | 9.8° | 60.0° |
| C1 | N | C2 | H2 | 62.3° | 38.1° |
| N | C2 | C11 | C3 | 120.6° | 120.0° |
| N | C2 | C11 | H2 | 119.5° | 120.0° |
| N | C2 | C3 | H2 | 121.6° | 120.0° |
| N | C2 | C11 | C12 | 95.5° | 178.4° |
| N | C2 | C3 | O1 | 36.6° | 18.3° |
| N | C2 | C3 | N1 | 142.3° | 161.7° |
| N | C2 | C11 | H111 | 25.6° | 61.7° |
| N | C2 | C11 | H112 | 143.3° | 58.3° |
| C11 | C2 | C3 | H2 | 119.7° | 120.0° |
| C2 | C11 | C12 | H111 | 121.1° | 120.0° |
| C2 | C11 | C12 | H112 | 121.1° | 120.1° |
| C2 | C11 | C12 | C25 | 24.0° | 66.3° |
| C2 | C11 | C12 | C21 | 145.9° | 173.7° |
| C11 | C2 | C3 | O1 | 82.0° | 101.7° |
| C11 | C2 | C3 | N1 | 99.0° | 78.3° |
| C11 | C2 | N | HN | 1.0° | 97.9° |
| C2 | C11 | H111 | H112 | 116.4° | 120.1° |
| C2 | C11 | C12 | H12 | 97.0° | 53.6° |
| C3 | C2 | C11 | C12 | 143.9° | 61.6° |
| C2 | C3 | O1 | N1 | 178.9° | 180.0° |
| C2 | C3 | N1 | C4 | 176.0° | 174.1° |
| C3 | C2 | N | HN | 121.1° | 22.1° |
| C3 | C2 | C11 | H111 | 95.0° | 58.4° |
| C3 | C2 | C11 | H112 | 22.8° | 178.4° |
| C2 | C3 | N1 | HN1 | 3.9° | 5.9° |
| C11 | C12 | C25 | C21 | 119.9° | 120.0° |
| C11 | C12 | C25 | H12 | 121.0° | 120.0° |
| C11 | C12 | C21 | H12 | 117.1° | 120.1° |
| C11 | C12 | C25 | C24 | 170.2° | 180.0° |
| C11 | C12 | C21 | C22 | 173.8° | 180.0° |
| C12 | C11 | H111 | H112 | 116.4° | 120.0° |
| C12 | C11 | C2 | H2 | 24.0° | 58.4° |
| C11 | C12 | C21 | H211 | 53.1° | 60.0° |
| C11 | C12 | C21 | H212 | 65.5° | 60.0° |
| C11 | C12 | C25 | H251 | 69.3° | 59.9° |
| C11 | C12 | C25 | H252 | 49.8° | 60.0° |
| C25 | C12 | C21 | H12 | 119.2° | 119.9° |
| C12 | C25 | C24 | H251 | 120.5° | 120.0° |
| C12 | C25 | C24 | H252 | 120.5° | 119.9° |
| C12 | C25 | C24 | C23 | 56.3° | 60.0° |
| C25 | C12 | C21 | C22 | 50.0° | 60.0° |
| C25 | C12 | C11 | H111 | 97.1° | 173.7° |
| C25 | C12 | C11 | H112 | 145.1° | 53.8° |
| C25 | C12 | C21 | H211 | 70.6° | 60.0° |
| C25 | C12 | C21 | H212 | 170.7° | 180.0° |
| C12 | C25 | C24 | H242 | 64.0° | 180.0° |
| C12 | C25 | C24 | H241 | 176.6° | 60.0° |
| C12 | C25 | H251 | H252 | 118.6° | 119.9° |
| C21 | C12 | C25 | C24 | 50.4° | 60.0° |
| C12 | C21 | C22 | C23 | 54.6° | 60.0° |
| C12 | C21 | C22 | H211 | 120.7° | 120.0° |
| C12 | C21 | C22 | H212 | 120.7° | 120.0° |
| C21 | C12 | C11 | H111 | 24.8° | 53.7° |
| C21 | C12 | C11 | H112 | 93.0° | 66.3° |
| C12 | C21 | H211 | H212 | 117.9° | 120.0° |
| C12 | C21 | C22 | H222 | 65.7° | 180.0° |
| C12 | C21 | C22 | H221 | 174.9° | 60.0° |
| C21 | C12 | C25 | H251 | 170.9° | 180.0° |
| C21 | C12 | C25 | H252 | 70.1° | 60.0° |
| C25 | C24 | C23 | H242 | 120.3° | 120.0° |
| C25 | C24 | C23 | H241 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 58.6° | 60.0° |
| C24 | C25 | C12 | H12 | 68.8° | 60.0° |
| C25 | C24 | C23 | H232 | 178.5° | 60.0° |
| C25 | C24 | C23 | H231 | 61.3° | 180.0° |
| C25 | C24 | H242 | H241 | 119.0° | 120.0° |
| C24 | C25 | H251 | H252 | 118.6° | 120.0° |
| C24 | C23 | C22 | H232 | 119.9° | 120.0° |
| C24 | C23 | C22 | H231 | 119.9° | 120.0° |
| C24 | C23 | C22 | C21 | 57.2° | 60.0° |
| C24 | C23 | C22 | H222 | 63.1° | 180.0° |
| C24 | C23 | C22 | H221 | 177.4° | 60.0° |
| C24 | C23 | H232 | H231 | 120.2° | 120.0° |
| C23 | C24 | H242 | H241 | 119.0° | 120.0° |
| C23 | C24 | C25 | H251 | 176.8° | 180.0° |
| C23 | C24 | C25 | H252 | 64.1° | 60.0° |
| C23 | C22 | C21 | H222 | 120.3° | 120.0° |
| C23 | C22 | C21 | H221 | 120.3° | 120.0° |
| C23 | C22 | C21 | H211 | 66.1° | 60.0° |
| C23 | C22 | C21 | H212 | 175.2° | 180.0° |
| C23 | C22 | H222 | H221 | 119.2° | 120.0° |
| C22 | C23 | H232 | H231 | 120.2° | 120.0° |
| C22 | C23 | C24 | H242 | 61.7° | 180.0° |
| C22 | C23 | C24 | H241 | 179.0° | 60.0° |
| C22 | C21 | C12 | H12 | 69.2° | 59.9° |
| C22 | C21 | H211 | H212 | 118.0° | 120.0° |
| C21 | C22 | H222 | H221 | 119.2° | 120.0° |
| C21 | C22 | C23 | H232 | 177.1° | 60.0° |
| C21 | C22 | C23 | H231 | 62.7° | 180.0° |
| O1 | C3 | N1 | C4 | 5.0° | 5.9° |
| O1 | C3 | C2 | H2 | 158.2° | 138.3° |
| O1 | C3 | N1 | HN1 | 175.0° | 174.1° |
| C3 | N1 | C4 | HN1 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 140.8° | 87.5° |
| C3 | N1 | C4 | C6 | 101.4° | 152.5° |
| N1 | C3 | C2 | H2 | 20.7° | 41.7° |
| C3 | N1 | C4 | H4 | 21.0° | 32.5° |
| N1 | C4 | C5 | C6 | 121.9° | 120.0° |
| N1 | C4 | C5 | H4 | 120.4° | 120.0° |
| N1 | C4 | C6 | H4 | 123.0° | 120.0° |
| N1 | C4 | C5 | O2 | 164.8° | 65.0° |
| N1 | C4 | C6 | C7 | 49.8° | 65.4° |
| N1 | C4 | C5 | H5 | 75.0° | 55.0° |
| N1 | C4 | C5 | H | 44.5° | 175.0° |
| N1 | C4 | C6 | H62 | 70.9° | 54.7° |
| N1 | C4 | C6 | H61 | 170.4° | 174.6° |
| C5 | C4 | C6 | H4 | 117.8° | 120.0° |
| C4 | C5 | O2 | H5 | 120.2° | 120.0° |
| C4 | C5 | O2 | H | 120.3° | 120.0° |
| C5 | C4 | C6 | C7 | 169.0° | 174.6° |
| C4 | C5 | H5 | H | 119.2° | 120.0° |
| C5 | C4 | C6 | H62 | 48.3° | 65.3° |
| C5 | C4 | C6 | H61 | 70.4° | 54.6° |
| C5 | C4 | N1 | HN1 | 39.2° | 92.5° |
| C4 | C5 | O2 | HO2 | 180.0° | 180.0° |
| C6 | C4 | C5 | O2 | 73.3° | 55.0° |
| C4 | C6 | C7 | H62 | 120.6° | 120.1° |
| C4 | C6 | C7 | H61 | 120.7° | 120.0° |
| C4 | C6 | C7 | C10 | 166.8° | 174.1° |
| C4 | C6 | C7 | C8 | 79.6° | 71.1° |
| C6 | C4 | C5 | H5 | 46.9° | 175.0° |
| C6 | C4 | C5 | H | 166.4° | 65.0° |
| C4 | C6 | H62 | H61 | 118.0° | 120.0° |
| C4 | C6 | C7 | H7 | 44.1° | 51.5° |
| C6 | C4 | N1 | HN1 | 78.6° | 27.5° |
| O2 | C5 | C4 | H4 | 44.4° | 175.0° |
| O2 | C5 | H5 | H | 119.2° | 120.0° |
| C6 | C7 | C10 | C8 | 117.6° | 118.7° |
| C6 | C7 | C10 | H7 | 122.6° | 122.5° |
| C6 | C7 | C8 | H7 | 123.8° | 122.6° |
| C6 | C7 | C10 | O3 | 67.9° | 45.1° |
| C6 | C7 | C10 | N2 | 113.7° | 135.2° |
| C6 | C7 | C8 | C9 | 123.7° | 143.5° |
| C7 | C6 | C4 | H4 | 73.3° | 54.6° |
| C7 | C6 | H62 | H61 | 117.9° | 119.9° |
| C6 | C7 | C8 | H81 | 4.4° | 25.4° |
| C6 | C7 | C8 | H82 | 117.0° | 98.4° |
| C10 | C7 | C8 | H7 | 119.9° | 118.7° |
| C7 | C10 | O3 | N2 | 178.1° | 179.7° |
| C10 | C7 | C8 | C9 | 7.4° | 24.8° |
| C7 | C10 | N2 | C9 | 14.6° | 0.0° |
| C10 | C7 | C6 | H62 | 46.1° | 54.0° |
| C10 | C7 | C6 | H61 | 72.5° | 66.0° |
| C10 | C7 | C8 | H81 | 111.9° | 93.3° |
| C10 | C7 | C8 | H82 | 126.7° | 142.9° |
| C7 | C10 | N2 | HN2 | 165.4° | 179.6° |
| C8 | C7 | C10 | O3 | 174.5° | 163.8° |
| C8 | C7 | C10 | N2 | 3.9° | 16.5° |
| C7 | C8 | C9 | H81 | 119.3° | 118.1° |
| C7 | C8 | C9 | H82 | 119.3° | 118.0° |
| C7 | C8 | C9 | N2 | 15.2° | 25.2° |
| C8 | C7 | C6 | H62 | 159.7° | 168.7° |
| C8 | C7 | C6 | H61 | 41.0° | 48.8° |
| C7 | C8 | H81 | H82 | 122.0° | 123.8° |
| C7 | C8 | C9 | H91 | 134.5° | 144.4° |
| C7 | C8 | C9 | H92 | 104.1° | 93.7° |
| O3 | C10 | N2 | C9 | 163.7° | 179.7° |
| O3 | C10 | C7 | H7 | 54.7° | 77.4° |
| O3 | C10 | N2 | HN2 | 16.3° | 0.7° |
| C10 | N2 | C9 | C8 | 18.9° | 16.7° |
| C10 | N2 | C9 | HN2 | 180.0° | 179.6° |
| N2 | C10 | C7 | H7 | 123.6° | 102.3° |
| C10 | N2 | C9 | H91 | 138.2° | 135.7° |
| C10 | N2 | C9 | H92 | 100.4° | 102.3° |
| C8 | C9 | N2 | H91 | 119.3° | 119.0° |
| C8 | C9 | N2 | H92 | 119.2° | 119.0° |
| C9 | C8 | C7 | H7 | 112.5° | 93.9° |
| C9 | C8 | H81 | H82 | 122.0° | 123.9° |
| C8 | C9 | H91 | H92 | 122.1° | 121.9° |
| C8 | C9 | N2 | HN2 | 161.1° | 162.9° |
| N2 | C9 | C8 | H81 | 104.1° | 92.8° |
| N2 | C9 | C8 | H82 | 134.5° | 143.3° |
| N2 | C9 | H91 | H92 | 122.2° | 121.9° |
| HN | N | C2 | H2 | 117.7° | 142.2° |
| H0 | C | C13 | H13 | 167.0° | 55.0° |
| H0 | C | N3 | HN3 | 174.8° | 145.0° |
| H111 | C11 | C12 | H12 | 141.9° | 66.3° |
| H111 | C11 | C2 | H2 | 145.1° | 178.4° |
| H112 | C11 | C12 | H12 | 24.1° | 173.7° |
| H112 | C11 | C2 | H2 | 97.2° | 61.6° |
| H12 | C12 | C21 | H211 | 170.2° | 179.9° |
| H12 | C12 | C21 | H212 | 51.5° | 60.1° |
| H12 | C12 | C25 | H251 | 51.7° | 60.1° |
| H12 | C12 | C25 | H252 | 170.8° | 180.0° |
| H13 | C13 | C14 | H142 | 68.0° | 54.7° |
| H13 | C13 | C14 | H143 | 52.0° | 65.2° |
| H13 | C13 | C14 | H141 | 172.0° | 174.8° |
| H142 | C14 | H143 | H141 | 120.0° | 120.1° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H193 | C19 | H191 | H192 | 120.0° | 120.0° |
| H202 | C20 | H203 | H201 | 119.9° | 120.0° |
| H211 | C21 | C22 | H222 | 173.7° | 60.0° |
| H211 | C21 | C22 | H221 | 54.2° | 180.0° |
| H212 | C21 | C22 | H222 | 55.0° | 60.0° |
| H212 | C21 | C22 | H221 | 64.5° | 60.1° |
| H222 | C22 | C23 | H232 | 56.9° | 60.0° |
| H222 | C22 | C23 | H231 | 177.0° | 60.0° |
| H221 | C22 | C23 | H232 | 62.6° | 180.0° |
| H221 | C22 | C23 | H231 | 57.5° | 60.0° |
| H232 | C23 | C24 | H242 | 58.2° | 60.0° |
| H232 | C23 | C24 | H241 | 61.1° | 180.0° |
| H231 | C23 | C24 | H242 | 178.4° | 59.9° |
| H231 | C23 | C24 | H241 | 59.0° | 60.0° |
| H242 | C24 | C25 | H251 | 56.4° | 60.0° |
| H242 | C24 | C25 | H252 | 175.5° | 60.0° |
| H241 | C24 | C25 | H251 | 62.9° | 60.0° |
| H241 | C24 | C25 | H252 | 56.2° | 180.0° |
| H4 | C4 | C5 | H5 | 164.6° | 65.0° |
| H4 | C4 | C5 | H | 75.9° | 55.0° |
| H4 | C4 | C6 | H62 | 166.1° | 174.7° |
| H4 | C4 | C6 | H61 | 47.4° | 65.4° |
| H4 | C4 | N1 | HN1 | 159.0° | 147.5° |
| H5 | C5 | O2 | HO2 | 59.8° | 60.0° |
| H | C5 | O2 | HO2 | 59.7° | 60.0° |
| H62 | C6 | C7 | H7 | 76.5° | 68.6° |
| H61 | C6 | C7 | H7 | 164.8° | 171.5° |
| H7 | C7 | C8 | H81 | 128.2° | 148.0° |
| H7 | C7 | C8 | H82 | 6.9° | 24.2° |
| H81 | C8 | C9 | H91 | 15.2° | 26.3° |
| H81 | C8 | C9 | H92 | 136.6° | 148.3° |
| H82 | C8 | C9 | H91 | 106.2° | 97.5° |
| H82 | C8 | C9 | H92 | 15.3° | 24.4° |
| H91 | C9 | N2 | HN2 | 41.8° | 43.9° |
| H92 | C9 | N2 | HN2 | 79.6° | 78.1° |
