002
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| C1 | N3 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C12 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | N3 | sing | 1.35Å | 1.35Å | |
| C5 | C22 | sing | 1.51Å | 1.53Å | |
| C5 | O4 | doub | 1.21Å | 1.23Å | |
| C6 | O6 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C11 | sing | 1.51Å | 1.52Å | |
| C7 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C22 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | O1 | doub | 1.21Å | 1.25Å | |
| C11 | O5 | sing | 1.34Å | 1.25Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O2 | N1 | sing | 1.42Å | 1.38Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C13 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | 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 | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C14 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.3° | 109.5° |
| C2 | C1 | N3 | 109.9° | 109.5° |
| C2 | C1 | H1 | 110.7° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.5° |
| C1 | C2 | C12 | 108.9° | 109.5° |
| C1 | C2 | H2 | 109.9° | 109.4° |
| C6 | C1 | N3 | 113.3° | 109.4° |
| C6 | C1 | H1 | 107.1° | 109.4° |
| C1 | C6 | O6 | 120.9° | 120.0° |
| C1 | C6 | N2 | 113.9° | 120.0° |
| N3 | C1 | H1 | 106.5° | 109.5° |
| C1 | N3 | C5 | 116.8° | 119.9° |
| C1 | N3 | HN3 | 121.6° | 120.0° |
| C3 | C2 | C12 | 111.1° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.4° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C2 | C3 | H31 | 107.7° | 109.4° |
| C2 | C3 | H32 | 108.4° | 109.5° |
| C12 | C2 | H2 | 109.0° | 109.4° |
| C2 | C12 | H121 | 109.5° | 109.5° |
| C2 | C12 | H122 | 109.5° | 109.5° |
| C2 | C12 | H123 | 109.5° | 109.4° |
| C4 | C3 | H31 | 107.7° | 109.5° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H43 | 109.5° | 109.4° |
| H31 | C3 | H32 | 112.0° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.4° |
| H42 | C4 | H43 | 109.4° | 109.5° |
| N3 | C5 | C22 | 114.5° | 120.0° |
| N3 | C5 | O4 | 125.2° | 120.1° |
| C5 | N3 | HN3 | 121.6° | 120.0° |
| C22 | C5 | O4 | 120.4° | 120.0° |
| C5 | C22 | C10 | 108.0° | 109.5° |
| C5 | C22 | C23 | 110.7° | 109.5° |
| C5 | C22 | H22 | 110.6° | 109.4° |
| O6 | C6 | N2 | 125.2° | 120.0° |
| C6 | N2 | C7 | 118.6° | 120.0° |
| C6 | N2 | HN2 | 120.7° | 119.9° |
| C8 | C7 | C11 | 109.1° | 109.5° |
| C8 | C7 | N2 | 109.7° | 109.5° |
| C8 | C7 | H7 | 110.5° | 109.5° |
| C7 | C8 | C13 | 114.1° | 109.4° |
| C7 | C8 | H81 | 106.9° | 109.5° |
| C7 | C8 | H82 | 108.0° | 109.5° |
| C11 | C7 | N2 | 112.1° | 109.5° |
| C11 | C7 | H7 | 108.0° | 109.4° |
| C7 | C11 | O1 | 118.5° | 120.0° |
| C7 | C11 | O5 | 118.3° | 120.0° |
| N2 | C7 | H7 | 107.4° | 109.4° |
| C7 | N2 | HN2 | 120.7° | 120.0° |
| C13 | C8 | H81 | 106.9° | 109.5° |
| C13 | C8 | H82 | 107.9° | 109.5° |
| C8 | C13 | C20 | 111.2° | 109.4° |
| C8 | C13 | C21 | 110.4° | 109.5° |
| C8 | C13 | H13 | 107.6° | 109.5° |
| H81 | C8 | H82 | 113.1° | 109.5° |
| C10 | C9 | N1 | 117.3° | 120.0° |
| C10 | C9 | O3 | 120.4° | 120.0° |
| C9 | C10 | C22 | 112.7° | 109.5° |
| C9 | C10 | H101 | 107.7° | 109.5° |
| C9 | C10 | H102 | 108.4° | 109.5° |
| N1 | C9 | O3 | 122.3° | 119.9° |
| C9 | N1 | O2 | 111.0° | 120.1° |
| C9 | N1 | HN1 | 124.5° | 120.0° |
| C22 | C10 | H101 | 107.7° | 109.4° |
| C22 | C10 | H102 | 108.4° | 109.5° |
| C10 | C22 | C23 | 112.0° | 109.5° |
| C10 | C22 | H22 | 109.2° | 109.5° |
| H101 | C10 | H102 | 112.1° | 109.4° |
| O1 | C11 | O5 | 123.2° | 120.0° |
| C11 | O5 | HO5 | 109.5° | 120.1° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| N1 | O2 | HO2 | 109.5° | 106.8° |
| O2 | N1 | HN1 | 124.5° | 119.9° |
| C20 | C13 | C21 | 109.4° | 109.5° |
| C20 | C13 | H13 | 108.7° | 109.5° |
| C13 | C20 | H201 | 109.5° | 109.4° |
| C13 | C20 | H202 | 109.5° | 109.5° |
| C13 | C20 | H203 | 109.5° | 109.5° |
| C21 | C13 | H13 | 109.5° | 109.5° |
| C13 | C21 | H211 | 109.5° | 109.5° |
| C13 | C21 | H212 | 109.5° | 109.5° |
| C13 | C21 | H213 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| C23 | C22 | H22 | 106.4° | 109.4° |
| C22 | C23 | C14 | 110.8° | 109.4° |
| C22 | C23 | H231 | 108.7° | 109.4° |
| C22 | C23 | H232 | 109.0° | 109.5° |
| C14 | C23 | H231 | 108.7° | 109.5° |
| C14 | C23 | H232 | 109.0° | 109.5° |
| C23 | C14 | C15 | 120.1° | 120.0° |
| C23 | C14 | C19 | 120.2° | 120.0° |
| H231 | C23 | H232 | 110.5° | 109.5° |
| C15 | C14 | C19 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C14 | C19 | C18 | 120.0° | 120.0° |
| C14 | C19 | H19 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.1° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N3 | 122.9° | 120.0° |
| C2 | C1 | C6 | H1 | 119.9° | 120.0° |
| C2 | C1 | N3 | H1 | 119.9° | 120.1° |
| C1 | C2 | C3 | C12 | 120.9° | 120.1° |
| C1 | C2 | C3 | H2 | 119.9° | 120.0° |
| C1 | C2 | C12 | H2 | 119.9° | 120.0° |
| C1 | C2 | C3 | C4 | 166.9° | 66.6° |
| C1 | C2 | C3 | H31 | 48.3° | 53.4° |
| C1 | C2 | C3 | H32 | 73.1° | 173.4° |
| C2 | C1 | N3 | C5 | 127.3° | 88.2° |
| C2 | C1 | C6 | O6 | 77.2° | 106.6° |
| C2 | C1 | C6 | N2 | 103.6° | 73.4° |
| C1 | C2 | C12 | H121 | 8.6° | 174.9° |
| C1 | C2 | C12 | H122 | 111.4° | 54.9° |
| C1 | C2 | C12 | H123 | 128.6° | 65.1° |
| C2 | C1 | N3 | HN3 | 52.7° | 91.8° |
| C6 | C1 | N3 | H1 | 117.5° | 119.9° |
| C6 | C1 | C2 | C3 | 179.3° | 65.0° |
| C6 | C1 | C2 | C12 | 58.5° | 55.1° |
| C6 | C1 | C2 | H2 | 60.9° | 175.1° |
| C6 | C1 | N3 | C5 | 110.0° | 151.8° |
| C1 | C6 | O6 | N2 | 179.1° | 180.0° |
| C1 | C6 | N2 | C7 | 162.9° | 174.7° |
| C6 | C1 | N3 | HN3 | 69.9° | 28.2° |
| C1 | C6 | N2 | HN2 | 17.1° | 5.3° |
| N3 | C1 | C2 | C3 | 54.4° | 175.0° |
| N3 | C1 | C2 | C12 | 176.6° | 64.9° |
| N3 | C1 | C2 | H2 | 64.0° | 55.1° |
| C1 | N3 | C5 | HN3 | 180.0° | 180.0° |
| C1 | N3 | C5 | C22 | 174.4° | 174.9° |
| C1 | N3 | C5 | O4 | 4.5° | 5.1° |
| N3 | C1 | C6 | O6 | 45.8° | 13.4° |
| N3 | C1 | C6 | N2 | 133.5° | 166.6° |
| H1 | C1 | C2 | C3 | 63.0° | 55.0° |
| H1 | C1 | C2 | C12 | 59.2° | 175.0° |
| H1 | C1 | C2 | H2 | 178.6° | 65.0° |
| H1 | C1 | N3 | C5 | 7.5° | 31.8° |
| H1 | C1 | C6 | O6 | 162.9° | 133.5° |
| H1 | C1 | C6 | N2 | 16.3° | 46.6° |
| H1 | C1 | N3 | HN3 | 172.6° | 148.2° |
| C3 | C2 | C12 | H2 | 118.4° | 120.0° |
| C2 | C3 | C4 | H31 | 118.6° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 119.1° | 120.0° |
| C2 | C3 | C4 | H41 | 10.9° | 174.6° |
| C2 | C3 | C4 | H42 | 130.9° | 65.4° |
| C2 | C3 | C4 | H43 | 109.1° | 54.7° |
| C3 | C2 | C12 | H121 | 113.1° | 65.0° |
| C3 | C2 | C12 | H122 | 126.9° | 174.9° |
| C3 | C2 | C12 | H123 | 6.9° | 55.0° |
| C12 | C2 | C3 | C4 | 72.3° | 173.4° |
| C12 | C2 | C3 | H31 | 169.1° | 66.7° |
| C12 | C2 | C3 | H32 | 47.7° | 53.3° |
| C2 | C12 | H121 | H122 | 120.0° | 120.1° |
| C2 | C12 | H121 | H123 | 120.0° | 120.0° |
| C2 | C12 | H122 | H123 | 120.0° | 119.9° |
| H2 | C2 | C3 | C4 | 47.0° | 53.4° |
| H2 | C2 | C3 | H31 | 71.6° | 173.4° |
| H2 | C2 | C3 | H32 | 167.0° | 66.6° |
| H2 | C2 | C12 | H121 | 128.5° | 55.0° |
| H2 | C2 | C12 | H122 | 8.5° | 65.1° |
| H2 | C2 | C12 | H123 | 111.5° | 175.0° |
| C4 | C3 | H31 | H32 | 119.1° | 120.0° |
| C3 | C4 | H41 | H42 | 120.0° | 120.1° |
| C3 | C4 | H41 | H43 | 120.0° | 119.9° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| H31 | C3 | C4 | H41 | 107.7° | 65.4° |
| H31 | C3 | C4 | H42 | 12.3° | 54.6° |
| H31 | C3 | C4 | H43 | 132.3° | 174.6° |
| H32 | C3 | C4 | H41 | 130.9° | 54.5° |
| H32 | C3 | C4 | H42 | 109.1° | 174.6° |
| H32 | C3 | C4 | H43 | 10.9° | 65.4° |
| H41 | C4 | H42 | H43 | 120.0° | 119.9° |
| N3 | C5 | C22 | O4 | 178.9° | 180.0° |
| N3 | C5 | C22 | C10 | 106.0° | 60.0° |
| N3 | C5 | C22 | C23 | 131.1° | 180.0° |
| N3 | C5 | C22 | H22 | 13.4° | 60.0° |
| C5 | C22 | C10 | C9 | 178.8° | 55.6° |
| C5 | C22 | C10 | C23 | 122.1° | 120.0° |
| C5 | C22 | C10 | H22 | 120.3° | 120.0° |
| C5 | C22 | C10 | H101 | 60.2° | 175.6° |
| C5 | C22 | C10 | H102 | 61.2° | 64.4° |
| C22 | C5 | N3 | HN3 | 5.7° | 5.1° |
| C5 | C22 | C23 | H22 | 120.2° | 119.9° |
| C5 | C22 | C23 | C14 | 69.3° | 173.6° |
| C5 | C22 | C23 | H231 | 50.2° | 66.5° |
| C5 | C22 | C23 | H232 | 170.7° | 53.5° |
| O4 | C5 | C22 | C10 | 72.9° | 120.0° |
| O4 | C5 | N3 | HN3 | 175.5° | 174.9° |
| O4 | C5 | C22 | C23 | 50.0° | 0.0° |
| O4 | C5 | C22 | H22 | 167.7° | 120.0° |
| O6 | C6 | N2 | C7 | 17.9° | 5.3° |
| O6 | C6 | N2 | HN2 | 162.1° | 174.7° |
| C6 | N2 | C7 | C8 | 124.8° | 155.0° |
| C6 | N2 | C7 | C11 | 113.8° | 85.0° |
| C6 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C6 | N2 | C7 | H7 | 4.7° | 34.9° |
| C8 | C7 | C11 | N2 | 121.7° | 120.0° |
| C8 | C7 | C11 | H7 | 120.1° | 120.0° |
| C8 | C7 | N2 | H7 | 120.1° | 120.1° |
| C7 | C8 | C13 | H81 | 118.0° | 120.0° |
| C7 | C8 | C13 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 118.7° | 120.0° |
| C8 | C7 | C11 | O1 | 103.1° | 119.9° |
| C8 | C7 | C11 | O5 | 77.1° | 60.0° |
| C7 | C8 | C13 | C20 | 49.3° | 173.3° |
| C7 | C8 | C13 | C21 | 170.9° | 66.7° |
| C7 | C8 | C13 | H13 | 69.6° | 53.3° |
| C8 | C7 | N2 | HN2 | 55.2° | 25.0° |
| C11 | C7 | N2 | H7 | 118.5° | 119.9° |
| C11 | C7 | C8 | C13 | 158.4° | 176.2° |
| C11 | C7 | C8 | H81 | 40.4° | 63.8° |
| C11 | C7 | C8 | H82 | 81.6° | 56.2° |
| C7 | C11 | O1 | O5 | 179.7° | 179.9° |
| C11 | C7 | N2 | HN2 | 66.2° | 95.1° |
| C7 | C11 | O5 | HO5 | 179.7° | 180.0° |
| N2 | C7 | C8 | C13 | 78.5° | 63.8° |
| N2 | C7 | C8 | H81 | 163.6° | 56.2° |
| N2 | C7 | C8 | H82 | 41.5° | 176.2° |
| N2 | C7 | C11 | O1 | 135.1° | 0.1° |
| N2 | C7 | C11 | O5 | 44.6° | 180.0° |
| H7 | C7 | C8 | C13 | 39.8° | 56.2° |
| H7 | C7 | C8 | H81 | 78.2° | 176.2° |
| H7 | C7 | C8 | H82 | 159.8° | 63.7° |
| H7 | C7 | C11 | O1 | 17.0° | 120.0° |
| H7 | C7 | C11 | O5 | 162.7° | 60.1° |
| H7 | C7 | N2 | HN2 | 175.3° | 145.0° |
| C13 | C8 | H81 | H82 | 118.7° | 120.0° |
| C8 | C13 | C20 | C21 | 122.2° | 120.0° |
| C8 | C13 | C20 | H13 | 118.3° | 120.0° |
| C8 | C13 | C21 | H13 | 118.3° | 120.0° |
| C8 | C13 | C20 | H201 | 71.3° | 175.1° |
| C8 | C13 | C20 | H202 | 168.7° | 64.9° |
| C8 | C13 | C20 | H203 | 48.7° | 55.1° |
| C8 | C13 | C21 | H211 | 35.7° | 60.0° |
| C8 | C13 | C21 | H212 | 84.3° | 180.0° |
| C8 | C13 | C21 | H213 | 155.7° | 60.0° |
| H81 | C8 | C13 | C20 | 68.7° | 53.3° |
| H81 | C8 | C13 | C21 | 53.0° | 173.2° |
| H81 | C8 | C13 | H13 | 172.4° | 66.7° |
| H82 | C8 | C13 | C20 | 169.3° | 66.8° |
| H82 | C8 | C13 | C21 | 69.1° | 53.2° |
| H82 | C8 | C13 | H13 | 50.4° | 173.2° |
| C10 | C9 | N1 | O3 | 180.0° | 180.0° |
| C9 | C10 | C22 | H101 | 118.6° | 120.0° |
| C9 | C10 | C22 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C9 | N1 | O2 | 173.6° | 180.0° |
| C10 | C9 | N1 | HN1 | 6.4° | 0.0° |
| C9 | C10 | C22 | C23 | 59.1° | 64.4° |
| C9 | C10 | C22 | H22 | 58.5° | 175.6° |
| N1 | C9 | C10 | C22 | 103.0° | 179.0° |
| N1 | C9 | C10 | H101 | 138.4° | 61.1° |
| N1 | C9 | C10 | H102 | 17.0° | 58.9° |
| C9 | N1 | O2 | HN1 | 180.0° | 180.0° |
| C9 | N1 | O2 | HO2 | 75.3° | 180.0° |
| O3 | C9 | C10 | C22 | 77.0° | 1.0° |
| O3 | C9 | C10 | H101 | 41.6° | 118.9° |
| O3 | C9 | C10 | H102 | 163.0° | 121.1° |
| O3 | C9 | N1 | O2 | 6.5° | 0.0° |
| O3 | C9 | N1 | HN1 | 173.5° | 180.0° |
| C22 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C22 | C23 | H22 | 119.2° | 120.1° |
| C10 | C22 | C23 | C14 | 170.2° | 66.4° |
| C10 | C22 | C23 | H231 | 70.4° | 53.6° |
| C10 | C22 | C23 | H232 | 50.2° | 173.5° |
| H101 | C10 | C22 | C23 | 177.7° | 55.6° |
| H101 | C10 | C22 | H22 | 60.0° | 64.4° |
| H102 | C10 | C22 | C23 | 60.9° | 175.6° |
| H102 | C10 | C22 | H22 | 178.6° | 55.6° |
| O1 | C11 | O5 | HO5 | 0.0° | 0.1° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| HO2 | O2 | N1 | HN1 | 104.7° | 0.0° |
| C20 | C13 | C21 | H13 | 119.0° | 120.0° |
| C13 | C20 | H201 | H202 | 120.0° | 120.0° |
| C13 | C20 | H201 | H203 | 120.0° | 120.0° |
| C13 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C13 | C21 | H211 | 87.0° | 179.9° |
| C20 | C13 | C21 | H212 | 153.0° | 60.0° |
| C20 | C13 | C21 | H213 | 33.0° | 60.0° |
| C21 | C13 | C20 | H201 | 50.9° | 55.1° |
| C21 | C13 | C20 | H202 | 69.1° | 175.1° |
| C21 | C13 | C20 | H203 | 170.9° | 65.0° |
| C13 | C21 | H211 | H212 | 120.0° | 120.1° |
| C13 | C21 | H211 | H213 | 120.0° | 120.0° |
| C13 | C21 | H212 | H213 | 120.0° | 120.0° |
| H13 | C13 | C20 | H201 | 170.4° | 64.9° |
| H13 | C13 | C20 | H202 | 50.4° | 55.1° |
| H13 | C13 | C20 | H203 | 69.6° | 175.1° |
| H13 | C13 | C21 | H211 | 154.0° | 60.1° |
| H13 | C13 | C21 | H212 | 34.0° | 60.0° |
| H13 | C13 | C21 | H213 | 86.0° | 180.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| C22 | C23 | C14 | H231 | 119.4° | 119.9° |
| C22 | C23 | C14 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.7° | 120.0° |
| C22 | C23 | C14 | C15 | 91.9° | 95.9° |
| C22 | C23 | C14 | C19 | 88.4° | 84.3° |
| H22 | C22 | C23 | C14 | 50.9° | 53.6° |
| H22 | C22 | C23 | H231 | 170.4° | 173.6° |
| H22 | C22 | C23 | H232 | 69.1° | 66.4° |
| C14 | C23 | H231 | H232 | 119.6° | 120.1° |
| C23 | C14 | C15 | C19 | 179.7° | 179.7° |
| C23 | C14 | C15 | C16 | 178.1° | 180.0° |
| C23 | C14 | C15 | H15 | 1.9° | 0.1° |
| C23 | C14 | C19 | C18 | 178.3° | 179.8° |
| C23 | C14 | C19 | H19 | 1.7° | 0.2° |
| H231 | C23 | C14 | C15 | 148.6° | 24.0° |
| H231 | C23 | C14 | C19 | 31.0° | 155.7° |
| H232 | C23 | C14 | C15 | 28.1° | 144.0° |
| H232 | C23 | C14 | C19 | 151.6° | 35.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C14 | C19 | C18 | 1.4° | 0.4° |
| C15 | C14 | C19 | H19 | 178.6° | 179.9° |
| C19 | C14 | C15 | C16 | 1.6° | 0.3° |
| C19 | C14 | C15 | H15 | 178.4° | 179.8° |
| C14 | C19 | C18 | C17 | 0.1° | 0.4° |
| C14 | C19 | C18 | H19 | 180.0° | 179.6° |
| C14 | C19 | C18 | H18 | 179.9° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.2° | 0.0° |
| C15 | C16 | C17 | H17 | 178.9° | 180.0° |
| H15 | C15 | C16 | C17 | 179.7° | 180.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.4° | 0.2° |
| C16 | C17 | C18 | H18 | 178.6° | 179.9° |
| H16 | C16 | C17 | C18 | 178.8° | 180.0° |
| H16 | C16 | C17 | H17 | 1.1° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 178.7° | 179.8° |
| H17 | C17 | C18 | H18 | 1.4° | 0.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
