347
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | trip | 1.17Å | 1.21Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| N1 | C5 | sing | 1.40Å | 1.41Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | S1 | sing | 1.76Å | 1.79Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | O2 | doub | 1.42Å | 1.46Å | |
| S1 | C11 | sing | 1.81Å | 1.80Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C12 | C22 | sing | 1.51Å | 1.56Å | |
| C12 | C16 | sing | 1.53Å | 1.59Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | N2 | sing | 1.47Å | 1.42Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N2 | C17 | sing | 1.35Å | 1.43Å | |
| N2 | C15 | sing | 1.47Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.21Å | 1.26Å | |
| C17 | O4 | sing | 1.35Å | 1.40Å | |
| O4 | C18 | sing | 1.45Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | N3 | sing | 1.35Å | 1.37Å | |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| N3 | O6 | sing | 1.42Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | C3 | 178.7° | 180.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C2 | C3 | C4 | 179.1° | 180.0° |
| C3 | C4 | N1 | 109.8° | 109.4° |
| C3 | C4 | H41 | 109.4° | 109.5° |
| C3 | C4 | H42 | 109.3° | 109.5° |
| N1 | C4 | H41 | 109.4° | 109.4° |
| N1 | C4 | H42 | 109.3° | 109.4° |
| C4 | N1 | C5 | 126.1° | 120.0° |
| C4 | N1 | HN1 | 104.3° | 120.0° |
| H41 | C4 | H42 | 109.7° | 109.5° |
| C5 | N1 | HN1 | 104.3° | 120.0° |
| N1 | C5 | C6 | 125.2° | 120.0° |
| N1 | C5 | C10 | 117.9° | 120.1° |
| C6 | C5 | C10 | 116.9° | 119.9° |
| C5 | C6 | C7 | 122.0° | 119.9° |
| C5 | C6 | H6 | 119.0° | 120.1° |
| C5 | C10 | C9 | 122.3° | 119.9° |
| C5 | C10 | H10 | 118.8° | 120.0° |
| C7 | C6 | H6 | 119.0° | 120.1° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | S1 | 118.5° | 119.9° |
| C7 | C8 | C9 | 120.4° | 120.2° |
| S1 | C8 | C9 | 121.1° | 119.9° |
| C8 | S1 | O1 | 102.8° | 104.3° |
| C8 | S1 | O2 | 107.8° | 104.3° |
| C8 | S1 | C11 | 108.9° | 104.5° |
| C8 | C9 | C10 | 118.4° | 120.1° |
| C8 | C9 | H9 | 120.8° | 120.0° |
| C10 | C9 | H9 | 120.8° | 120.0° |
| C9 | C10 | H10 | 118.8° | 120.0° |
| O1 | S1 | O2 | 118.6° | 121.0° |
| O1 | S1 | C11 | 112.5° | 110.5° |
| O2 | S1 | C11 | 106.0° | 110.6° |
| S1 | C11 | C12 | 118.6° | 109.5° |
| S1 | C11 | H111 | 106.5° | 109.5° |
| S1 | C11 | H112 | 104.4° | 109.5° |
| C12 | C11 | H111 | 106.5° | 109.4° |
| C12 | C11 | H112 | 104.4° | 109.5° |
| C11 | C12 | C13 | 110.1° | 109.4° |
| C11 | C12 | C22 | 107.6° | 109.5° |
| C11 | C12 | C16 | 108.2° | 109.5° |
| H111 | C11 | H112 | 117.0° | 109.5° |
| C13 | C12 | C22 | 111.6° | 109.5° |
| C13 | C12 | C16 | 107.5° | 109.6° |
| C12 | C13 | C14 | 113.9° | 109.3° |
| C12 | C13 | H131 | 108.0° | 109.5° |
| C12 | C13 | H132 | 107.0° | 109.5° |
| C22 | C12 | C16 | 111.7° | 109.4° |
| C12 | C22 | N3 | 116.8° | 120.0° |
| C12 | C22 | O5 | 121.5° | 120.0° |
| C12 | C16 | C15 | 113.4° | 109.3° |
| C12 | C16 | H161 | 108.2° | 109.5° |
| C12 | C16 | H162 | 107.3° | 109.5° |
| C14 | C13 | H131 | 108.0° | 109.5° |
| C14 | C13 | H132 | 107.0° | 109.5° |
| C13 | C14 | N2 | 111.2° | 108.8° |
| C13 | C14 | H141 | 108.9° | 109.5° |
| C13 | C14 | H142 | 108.5° | 109.6° |
| H131 | C13 | H132 | 113.0° | 109.5° |
| N2 | C14 | H141 | 108.9° | 109.6° |
| N2 | C14 | H142 | 108.5° | 109.6° |
| C14 | N2 | C17 | 123.1° | 120.6° |
| C14 | N2 | C15 | 115.4° | 118.7° |
| H141 | C14 | H142 | 110.8° | 109.7° |
| C17 | N2 | C15 | 121.4° | 120.7° |
| N2 | C17 | O3 | 123.4° | 120.0° |
| N2 | C17 | O4 | 110.7° | 120.0° |
| N2 | C15 | C16 | 110.8° | 108.8° |
| N2 | C15 | H151 | 109.0° | 109.6° |
| N2 | C15 | H152 | 108.7° | 109.6° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 108.7° | 109.5° |
| C15 | C16 | H161 | 108.2° | 109.5° |
| C15 | C16 | H162 | 107.3° | 109.5° |
| H151 | C15 | H152 | 110.5° | 109.7° |
| H161 | C16 | H162 | 112.6° | 109.5° |
| O3 | C17 | O4 | 125.9° | 120.0° |
| C17 | O4 | C18 | 132.4° | 117.0° |
| O4 | C18 | C20 | 111.7° | 109.5° |
| O4 | C18 | C19 | 105.7° | 109.4° |
| O4 | C18 | C21 | 110.0° | 109.5° |
| C20 | C18 | C19 | 106.2° | 109.5° |
| C20 | C18 | C21 | 111.2° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.4° | 109.5° |
| C18 | C20 | H203 | 109.5° | 109.5° |
| C19 | C18 | C21 | 111.7° | 109.4° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.4° | 109.5° |
| C18 | C21 | H211 | 109.5° | 109.5° |
| C18 | C21 | H212 | 109.4° | 109.5° |
| C18 | C21 | H213 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| N3 | C22 | O5 | 121.7° | 120.0° |
| C22 | N3 | O6 | 116.7° | 120.0° |
| C22 | N3 | HN3 | 121.6° | 120.0° |
| O6 | N3 | HN3 | 121.7° | 120.0° |
| N3 | O6 | HO6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 10.6° | 164.8° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | C3 | 4.5° | 172.6° |
| H12 | C1 | C2 | C3 | 115.6° | 67.3° |
| H13 | C1 | C2 | C3 | 124.4° | 52.7° |
| C2 | C3 | C4 | N1 | 149.9° | 172.2° |
| C2 | C3 | C4 | H41 | 29.9° | 67.8° |
| C2 | C3 | C4 | H42 | 90.2° | 52.2° |
| C3 | C4 | N1 | H41 | 120.0° | 120.0° |
| C3 | C4 | N1 | H42 | 119.9° | 120.0° |
| C3 | C4 | H41 | H42 | 119.9° | 120.1° |
| C3 | C4 | N1 | C5 | 152.5° | 180.0° |
| C3 | C4 | N1 | HN1 | 87.5° | 0.0° |
| N1 | C4 | H41 | H42 | 119.9° | 119.9° |
| C4 | N1 | C5 | HN1 | 120.0° | 180.0° |
| C4 | N1 | C5 | C6 | 38.2° | 180.0° |
| C4 | N1 | C5 | C10 | 142.6° | 0.2° |
| H41 | C4 | N1 | C5 | 32.5° | 60.0° |
| H41 | C4 | N1 | HN1 | 152.5° | 120.0° |
| H42 | C4 | N1 | C5 | 87.6° | 60.0° |
| H42 | C4 | N1 | HN1 | 32.4° | 120.0° |
| N1 | C5 | C6 | C10 | 179.1° | 179.8° |
| N1 | C5 | C6 | C7 | 179.6° | 180.0° |
| N1 | C5 | C6 | H6 | 0.4° | 0.1° |
| N1 | C5 | C10 | C9 | 179.4° | 179.8° |
| N1 | C5 | C10 | H10 | 0.5° | 0.0° |
| HN1 | N1 | C5 | C6 | 81.8° | 0.0° |
| HN1 | N1 | C5 | C10 | 97.4° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.1° |
| C5 | C6 | C7 | H7 | 179.5° | 180.0° |
| C6 | C5 | C10 | C9 | 1.4° | 0.4° |
| C6 | C5 | C10 | H10 | 178.6° | 179.7° |
| C10 | C5 | C6 | C7 | 1.3° | 0.2° |
| C10 | C5 | C6 | H6 | 178.7° | 179.8° |
| C5 | C10 | C9 | C8 | 0.6° | 0.5° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | H9 | 179.4° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | S1 | 179.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.1° |
| H6 | C6 | C7 | C8 | 179.5° | 180.0° |
| H6 | C6 | C7 | H7 | 0.5° | 0.1° |
| C7 | C8 | S1 | C9 | 179.4° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C7 | C8 | S1 | O1 | 14.1° | 153.9° |
| C7 | C8 | S1 | O2 | 111.9° | 26.0° |
| C7 | C8 | S1 | C11 | 133.5° | 90.1° |
| H7 | C7 | C8 | S1 | 1.0° | 0.1° |
| H7 | C7 | C8 | C9 | 179.7° | 180.0° |
| S1 | C8 | C9 | C10 | 179.1° | 179.8° |
| S1 | C8 | C9 | H9 | 0.9° | 0.1° |
| C8 | S1 | O1 | O2 | 118.7° | 116.8° |
| C8 | S1 | O1 | C11 | 116.9° | 111.8° |
| C8 | S1 | O2 | C11 | 116.5° | 111.8° |
| C8 | S1 | C11 | C12 | 97.6° | 174.5° |
| C8 | S1 | C11 | H111 | 22.4° | 54.5° |
| C8 | S1 | C11 | H112 | 146.7° | 65.5° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | H10 | 179.4° | 179.7° |
| C9 | C8 | S1 | O1 | 166.6° | 26.0° |
| C9 | C8 | S1 | O2 | 67.4° | 153.9° |
| C9 | C8 | S1 | C11 | 47.1° | 90.0° |
| H9 | C9 | C10 | H10 | 0.6° | 0.0° |
| O1 | S1 | O2 | C11 | 127.5° | 131.4° |
| O1 | S1 | C11 | C12 | 15.6° | 73.9° |
| O1 | S1 | C11 | H111 | 135.6° | 166.2° |
| O1 | S1 | C11 | H112 | 100.1° | 46.2° |
| O2 | S1 | C11 | C12 | 146.7° | 62.8° |
| O2 | S1 | C11 | H111 | 93.3° | 57.1° |
| O2 | S1 | C11 | H112 | 31.0° | 177.1° |
| S1 | C11 | C12 | H111 | 120.0° | 120.0° |
| S1 | C11 | C12 | H112 | 115.6° | 120.1° |
| S1 | C11 | H111 | H112 | 116.2° | 120.0° |
| S1 | C11 | C12 | C13 | 52.2° | 59.9° |
| S1 | C11 | C12 | C22 | 69.6° | 60.1° |
| S1 | C11 | C12 | C16 | 169.4° | 179.9° |
| C12 | C11 | H111 | H112 | 116.2° | 120.0° |
| C11 | C12 | C13 | C22 | 119.5° | 120.0° |
| C11 | C12 | C13 | C16 | 117.7° | 120.0° |
| C11 | C12 | C22 | C16 | 118.7° | 120.0° |
| C11 | C12 | C13 | C14 | 168.9° | 178.6° |
| C11 | C12 | C13 | H131 | 49.0° | 61.4° |
| C11 | C12 | C13 | H132 | 73.0° | 58.7° |
| C11 | C12 | C16 | C15 | 167.0° | 178.7° |
| C11 | C12 | C16 | H161 | 73.0° | 58.7° |
| C11 | C12 | C16 | H162 | 48.8° | 61.4° |
| C11 | C12 | C22 | N3 | 116.7° | 66.8° |
| C11 | C12 | C22 | O5 | 60.7° | 113.2° |
| H111 | C11 | C12 | C13 | 172.2° | 179.8° |
| H111 | C11 | C12 | C22 | 50.4° | 59.9° |
| H111 | C11 | C12 | C16 | 70.6° | 60.1° |
| H112 | C11 | C12 | C13 | 63.4° | 60.2° |
| H112 | C11 | C12 | C22 | 174.7° | 179.8° |
| H112 | C11 | C12 | C16 | 53.8° | 59.9° |
| C13 | C12 | C22 | C16 | 120.4° | 120.1° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 118.1° | 120.0° |
| C12 | C13 | H131 | H132 | 118.2° | 120.1° |
| C12 | C13 | C14 | N2 | 56.6° | 54.7° |
| C12 | C13 | C14 | H141 | 176.7° | 174.4° |
| C12 | C13 | C14 | H142 | 62.7° | 65.2° |
| C13 | C12 | C16 | C15 | 48.2° | 61.3° |
| C13 | C12 | C16 | H161 | 168.1° | 178.7° |
| C13 | C12 | C16 | H162 | 70.1° | 58.6° |
| C13 | C12 | C22 | N3 | 4.1° | 173.2° |
| C13 | C12 | C22 | O5 | 178.4° | 6.7° |
| C22 | C12 | C13 | C14 | 71.6° | 58.6° |
| C22 | C12 | C13 | H131 | 168.4° | 178.6° |
| C22 | C12 | C13 | H132 | 46.5° | 61.3° |
| C22 | C12 | C16 | C15 | 74.7° | 58.7° |
| C22 | C12 | C16 | H161 | 45.3° | 61.3° |
| C22 | C12 | C16 | H162 | 167.1° | 178.6° |
| C12 | C22 | N3 | O5 | 177.4° | 180.0° |
| C12 | C22 | N3 | O6 | 179.2° | 175.0° |
| C12 | C22 | N3 | HN3 | 0.8° | 5.0° |
| C16 | C12 | C13 | C14 | 51.3° | 61.4° |
| C16 | C12 | C13 | H131 | 68.7° | 58.6° |
| C16 | C12 | C13 | H132 | 169.4° | 178.7° |
| C12 | C16 | C15 | N2 | 49.8° | 54.6° |
| C12 | C16 | C15 | H161 | 120.0° | 120.0° |
| C12 | C16 | C15 | H162 | 118.2° | 119.9° |
| C12 | C16 | C15 | H151 | 169.8° | 174.4° |
| C12 | C16 | C15 | H152 | 69.7° | 65.2° |
| C12 | C16 | H161 | H162 | 118.4° | 120.1° |
| C16 | C12 | C22 | N3 | 124.6° | 53.1° |
| C16 | C12 | C22 | O5 | 58.0° | 126.8° |
| C14 | C13 | H131 | H132 | 118.2° | 120.1° |
| C13 | C14 | N2 | H141 | 120.0° | 119.7° |
| C13 | C14 | N2 | H142 | 119.3° | 119.9° |
| C13 | C14 | H141 | H142 | 119.3° | 120.4° |
| C13 | C14 | N2 | C17 | 125.0° | 126.3° |
| C13 | C14 | N2 | C15 | 57.8° | 53.6° |
| H131 | C13 | C14 | N2 | 63.3° | 65.3° |
| H131 | C13 | C14 | H141 | 56.7° | 54.4° |
| H131 | C13 | C14 | H142 | 177.4° | 174.8° |
| H132 | C13 | C14 | N2 | 174.7° | 174.6° |
| H132 | C13 | C14 | H141 | 65.3° | 65.6° |
| H132 | C13 | C14 | H142 | 55.4° | 54.8° |
| N2 | C14 | H141 | H142 | 119.3° | 120.3° |
| C14 | N2 | C17 | C15 | 177.0° | 180.0° |
| C14 | N2 | C15 | C16 | 54.7° | 53.6° |
| C14 | N2 | C15 | H151 | 174.7° | 173.4° |
| C14 | N2 | C15 | H152 | 64.8° | 66.2° |
| C14 | N2 | C17 | O3 | 2.3° | 0.0° |
| C14 | N2 | C17 | O4 | 177.0° | 180.0° |
| H141 | C14 | N2 | C17 | 5.0° | 6.6° |
| H141 | C14 | N2 | C15 | 177.8° | 173.4° |
| H142 | C14 | N2 | C17 | 115.6° | 113.8° |
| H142 | C14 | N2 | C15 | 61.5° | 66.2° |
| C17 | N2 | C15 | C16 | 128.1° | 126.4° |
| C17 | N2 | C15 | H151 | 8.1° | 6.6° |
| C17 | N2 | C15 | H152 | 112.4° | 113.8° |
| N2 | C17 | O3 | O4 | 179.3° | 180.0° |
| N2 | C17 | O4 | C18 | 175.6° | 180.0° |
| N2 | C15 | C16 | H151 | 120.0° | 119.8° |
| N2 | C15 | C16 | H152 | 119.5° | 119.8° |
| N2 | C15 | H151 | H152 | 119.5° | 120.4° |
| N2 | C15 | C16 | H161 | 169.8° | 174.6° |
| N2 | C15 | C16 | H162 | 68.5° | 65.3° |
| C15 | N2 | C17 | O3 | 174.6° | 180.0° |
| C15 | N2 | C17 | O4 | 6.0° | 0.0° |
| C16 | C15 | H151 | H152 | 119.5° | 120.3° |
| C15 | C16 | H161 | H162 | 118.4° | 120.0° |
| H151 | C15 | C16 | H161 | 70.2° | 65.6° |
| H151 | C15 | C16 | H162 | 51.6° | 54.5° |
| H152 | C15 | C16 | H161 | 50.3° | 54.8° |
| H152 | C15 | C16 | H162 | 172.1° | 174.8° |
| O3 | C17 | O4 | C18 | 3.7° | 0.0° |
| C17 | O4 | C18 | C20 | 1.1° | 59.9° |
| C17 | O4 | C18 | C19 | 114.1° | 60.0° |
| C17 | O4 | C18 | C21 | 125.1° | 180.0° |
| O4 | C18 | C20 | C19 | 114.8° | 120.0° |
| O4 | C18 | C20 | C21 | 123.4° | 120.1° |
| O4 | C18 | C19 | C21 | 119.7° | 120.0° |
| O4 | C18 | C19 | H191 | 96.4° | 60.0° |
| O4 | C18 | C19 | H192 | 23.6° | 180.0° |
| O4 | C18 | C19 | H193 | 143.6° | 60.0° |
| O4 | C18 | C20 | H201 | 80.9° | 60.1° |
| O4 | C18 | C20 | H202 | 39.1° | 180.0° |
| O4 | C18 | C20 | H203 | 159.2° | 59.9° |
| O4 | C18 | C21 | H211 | 92.5° | 60.0° |
| O4 | C18 | C21 | H212 | 27.4° | 180.0° |
| O4 | C18 | C21 | H213 | 147.5° | 60.0° |
| C20 | C18 | C19 | C21 | 121.5° | 120.0° |
| C20 | C18 | C19 | H191 | 144.8° | 60.0° |
| C20 | C18 | C19 | H192 | 95.2° | 60.0° |
| C20 | C18 | C19 | H193 | 24.8° | 180.0° |
| C18 | C20 | H201 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H203 | 120.0° | 120.0° |
| C18 | C20 | H202 | H203 | 120.0° | 120.1° |
| C20 | C18 | C21 | H211 | 31.8° | 180.0° |
| C20 | C18 | C21 | H212 | 151.8° | 60.0° |
| C20 | C18 | C21 | H213 | 88.2° | 60.1° |
| C18 | C19 | H191 | H192 | 120.0° | 119.9° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 34.0° | 180.0° |
| C19 | C18 | C20 | H202 | 154.0° | 60.1° |
| C19 | C18 | C20 | H203 | 86.0° | 60.0° |
| C19 | C18 | C21 | H211 | 150.3° | 60.0° |
| C19 | C18 | C21 | H212 | 89.7° | 60.0° |
| C19 | C18 | C21 | H213 | 30.3° | 180.0° |
| C21 | C18 | C19 | H191 | 23.3° | 180.0° |
| C21 | C18 | C19 | H192 | 143.3° | 60.0° |
| C21 | C18 | C19 | H193 | 96.7° | 60.0° |
| C21 | C18 | C20 | H201 | 155.7° | 60.0° |
| C21 | C18 | C20 | H202 | 84.3° | 59.9° |
| C21 | C18 | C20 | H203 | 35.8° | 180.0° |
| C18 | C21 | H211 | H212 | 120.0° | 120.0° |
| C18 | C21 | H211 | H213 | 120.0° | 120.0° |
| C18 | C21 | H212 | H213 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| C22 | N3 | O6 | HN3 | 180.0° | 179.9° |
| C22 | N3 | O6 | HO6 | 130.2° | 180.0° |
| O5 | C22 | N3 | O6 | 3.4° | 5.0° |
| O5 | C22 | N3 | HN3 | 176.6° | 175.1° |
| HN3 | N3 | O6 | HO6 | 49.8° | 0.1° |
