3BN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.38Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| N1 | C4 | sing | 1.47Å | 1.43Å | |
| N1 | HN1 | sing | 1.01Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O3 | sing | 1.43Å | 1.33Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C7 | O2 | doub | 1.22Å | 1.24Å | |
| C7 | C9 | sing | 1.48Å | 1.47Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C8 | C29 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | N3 | sing | 1.40Å | 1.39Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C15 | C22 | sing | 1.48Å | 1.47Å | |
| N3 | C16 | sing | 1.47Å | 1.49Å | |
| N3 | S1 | sing | 1.66Å | 1.63Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.46Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.39Å | 1.45Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.40Å | 1.46Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| S1 | C23 | sing | 1.81Å | 1.79Å | |
| S1 | O5 | doub | 1.42Å | 1.42Å | |
| S1 | O6 | doub | 1.42Å | 1.42Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | doub | 1.38Å | 1.45Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.48Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.38Å | 1.45Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.46Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.45Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 60.1° | 60.0° |
| C2 | C1 | H11 | 135.0° | 117.5° |
| C2 | C1 | H12A | 134.9° | 117.4° |
| C1 | C2 | C3 | 57.3° | 60.0° |
| C1 | C2 | N1 | 90.8° | 117.5° |
| C1 | C2 | H2 | 155.1° | 117.5° |
| C3 | C1 | H11 | 134.9° | 117.5° |
| C3 | C1 | H12A | 134.9° | 117.5° |
| C1 | C3 | C2 | 62.6° | 60.0° |
| C1 | C3 | H31 | 133.5° | 117.5° |
| C1 | C3 | H32 | 133.5° | 117.5° |
| H11 | C1 | H12A | 70.6° | 115.6° |
| C3 | C2 | N1 | 127.7° | 117.5° |
| C3 | C2 | H2 | 123.5° | 117.5° |
| C2 | C3 | H31 | 133.5° | 117.5° |
| C2 | C3 | H32 | 133.5° | 117.5° |
| N1 | C2 | H2 | 102.9° | 115.6° |
| C2 | N1 | C4 | 128.2° | 106.7° |
| C2 | N1 | HN1 | 105.7° | 106.7° |
| H31 | C3 | H32 | 72.6° | 115.6° |
| C4 | N1 | HN1 | 105.6° | 106.7° |
| N1 | C4 | C5 | 118.0° | 109.5° |
| N1 | C4 | H41 | 109.1° | 109.5° |
| N1 | C4 | H42 | 109.1° | 109.5° |
| C5 | C4 | H41 | 109.1° | 109.4° |
| C5 | C4 | H42 | 109.1° | 109.4° |
| C4 | C5 | C6 | 109.7° | 109.5° |
| C4 | C5 | O3 | 110.7° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| H41 | C4 | H42 | 101.0° | 109.4° |
| C6 | C5 | O3 | 107.6° | 109.4° |
| C6 | C5 | H5 | 111.0° | 109.5° |
| C5 | C6 | N2 | 108.7° | 109.4° |
| C5 | C6 | C8 | 110.8° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| O3 | C5 | H5 | 110.0° | 109.5° |
| C5 | O3 | HO3 | 110.7° | 106.8° |
| N2 | C6 | C8 | 108.5° | 109.4° |
| N2 | C6 | H6 | 111.1° | 109.5° |
| C6 | N2 | C7 | 123.1° | 120.0° |
| C6 | N2 | HN2 | 123.2° | 120.0° |
| C8 | C6 | H6 | 109.0° | 109.5° |
| C6 | C8 | C29 | 112.0° | 109.5° |
| C6 | C8 | H81 | 111.3° | 109.5° |
| C6 | C8 | H82 | 111.3° | 109.4° |
| C7 | N2 | HN2 | 113.7° | 120.0° |
| N2 | C7 | O2 | 122.2° | 120.0° |
| N2 | C7 | C9 | 114.2° | 120.0° |
| O2 | C7 | C9 | 123.6° | 120.0° |
| C7 | C9 | C10 | 122.9° | 120.0° |
| C7 | C9 | C14 | 118.2° | 120.0° |
| C29 | C8 | H81 | 111.3° | 109.5° |
| C29 | C8 | H82 | 111.3° | 109.5° |
| C8 | C29 | C24 | 123.3° | 120.0° |
| C8 | C29 | C28 | 115.0° | 120.0° |
| H81 | C8 | H82 | 99.0° | 109.5° |
| C10 | C9 | C14 | 118.9° | 120.0° |
| C9 | C10 | C11 | 121.6° | 119.9° |
| C9 | C10 | H10 | 119.0° | 120.1° |
| C9 | C14 | C13 | 122.1° | 120.0° |
| C9 | C14 | H14 | 118.4° | 120.0° |
| C11 | C10 | H10 | 119.4° | 120.0° |
| C10 | C11 | C12 | 117.7° | 119.9° |
| C10 | C11 | C15 | 124.3° | 120.1° |
| C12 | C11 | C15 | 117.9° | 120.0° |
| C11 | C12 | C13 | 122.3° | 120.0° |
| C11 | C12 | H12 | 118.2° | 120.0° |
| C11 | C15 | O4 | 119.9° | 120.0° |
| C11 | C15 | C22 | 122.2° | 120.0° |
| C13 | C12 | H12 | 119.5° | 120.0° |
| C12 | C13 | C14 | 117.4° | 120.2° |
| C12 | C13 | N3 | 123.9° | 119.9° |
| C14 | C13 | N3 | 118.7° | 119.9° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C13 | N3 | C16 | 120.8° | 120.0° |
| C13 | N3 | S1 | 123.0° | 120.0° |
| O4 | C15 | C22 | 117.9° | 120.0° |
| C15 | C22 | C17 | 123.2° | 120.1° |
| C15 | C22 | C21 | 115.2° | 120.2° |
| C16 | N3 | S1 | 115.1° | 120.0° |
| N3 | C16 | H161 | 108.1° | 109.5° |
| N3 | C16 | H162 | 120.8° | 109.4° |
| N3 | C16 | H163 | 108.2° | 109.5° |
| N3 | S1 | C23 | 107.3° | 103.2° |
| N3 | S1 | O5 | 107.3° | 102.8° |
| N3 | S1 | O6 | 108.7° | 102.8° |
| H161 | C16 | H162 | 108.1° | 109.5° |
| H161 | C16 | H163 | 101.8° | 109.5° |
| H162 | C16 | H163 | 108.1° | 109.5° |
| C18 | C17 | C22 | 119.2° | 119.8° |
| C18 | C17 | H17 | 120.0° | 120.1° |
| C17 | C18 | C19 | 117.9° | 120.2° |
| C17 | C18 | H18 | 120.9° | 120.0° |
| C22 | C17 | H17 | 120.8° | 120.1° |
| C17 | C22 | C21 | 121.6° | 119.7° |
| C19 | C18 | H18 | 121.2° | 119.9° |
| C18 | C19 | C20 | 123.5° | 120.3° |
| C18 | C19 | H19 | 118.3° | 119.8° |
| C20 | C19 | H19 | 118.3° | 119.9° |
| C19 | C20 | C21 | 117.9° | 120.2° |
| C19 | C20 | H20 | 121.1° | 119.9° |
| C21 | C20 | H20 | 120.9° | 119.9° |
| C20 | C21 | C22 | 119.1° | 119.8° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C22 | C21 | H21 | 120.9° | 120.1° |
| C23 | S1 | O5 | 107.9° | 111.7° |
| C23 | S1 | O6 | 106.8° | 111.6° |
| S1 | C23 | H231 | 113.0° | 109.5° |
| S1 | C23 | H232 | 107.3° | 109.4° |
| S1 | C23 | H233 | 113.0° | 109.5° |
| O5 | S1 | O6 | 118.3° | 122.1° |
| H231 | C23 | H232 | 113.0° | 109.5° |
| H231 | C23 | H233 | 97.4° | 109.5° |
| H232 | C23 | H233 | 113.0° | 109.5° |
| C25 | C24 | C29 | 118.8° | 120.0° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | C26 | 118.2° | 120.0° |
| C24 | C25 | H25 | 121.0° | 120.0° |
| C29 | C24 | H24 | 121.5° | 120.0° |
| C24 | C29 | C28 | 121.7° | 120.0° |
| C26 | C25 | H25 | 120.8° | 120.0° |
| C25 | C26 | C27 | 123.9° | 120.0° |
| C25 | C26 | H26 | 117.6° | 120.0° |
| C27 | C26 | H26 | 118.5° | 120.0° |
| C26 | C27 | C28 | 117.5° | 120.0° |
| C26 | C27 | H27 | 121.5° | 120.0° |
| C28 | C27 | H27 | 121.0° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C29 | C28 | H28 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H11 | 125.3° | 107.5° |
| C2 | C1 | C3 | H12A | 125.3° | 107.4° |
| C2 | C1 | H11 | H12A | 135.0° | 145.6° |
| C1 | C2 | C3 | N1 | 61.6° | 107.5° |
| C1 | C2 | C3 | H2 | 150.2° | 107.5° |
| C1 | C2 | N1 | H2 | 159.0° | 145.7° |
| C2 | C1 | C3 | H31 | 125.3° | 107.5° |
| C2 | C1 | C3 | H32 | 125.3° | 107.5° |
| C1 | C2 | N1 | C4 | 99.8° | 155.1° |
| C1 | C2 | N1 | HN1 | 134.9° | 41.3° |
| C3 | C1 | H11 | H12A | 134.9° | 145.8° |
| C1 | C3 | H31 | H32 | 134.2° | 145.7° |
| H11 | C1 | C2 | N1 | 98.9° | 145.0° |
| H11 | C1 | C2 | H2 | 25.2° | 0.0° |
| H11 | C1 | C3 | H31 | 0.0° | 145.0° |
| H11 | C1 | C3 | H32 | 109.4° | 0.0° |
| H12A | C1 | C2 | N1 | 10.6° | 0.1° |
| H12A | C1 | C2 | H2 | 134.7° | 145.0° |
| H12A | C1 | C3 | H31 | 109.4° | 0.1° |
| H12A | C1 | C3 | H32 | 0.0° | 145.1° |
| C3 | C2 | N1 | H2 | 153.2° | 145.6° |
| C2 | C3 | H31 | H32 | 134.2° | 145.8° |
| C3 | C2 | N1 | C4 | 147.6° | 136.3° |
| C3 | C2 | N1 | HN1 | 87.2° | 109.9° |
| N1 | C2 | C3 | H31 | 173.1° | 0.1° |
| N1 | C2 | C3 | H32 | 63.6° | 145.0° |
| C2 | N1 | C4 | HN1 | 125.3° | 113.8° |
| C2 | N1 | C4 | C5 | 134.2° | 180.0° |
| C2 | N1 | C4 | H41 | 100.6° | 60.0° |
| C2 | N1 | C4 | H42 | 8.9° | 60.0° |
| H2 | C2 | C3 | H31 | 24.9° | 145.1° |
| H2 | C2 | C3 | H32 | 84.5° | 0.0° |
| H2 | C2 | N1 | C4 | 59.2° | 9.3° |
| H2 | C2 | N1 | HN1 | 66.0° | 104.5° |
| N1 | C4 | C5 | H41 | 125.2° | 120.1° |
| N1 | C4 | C5 | H42 | 125.3° | 120.0° |
| N1 | C4 | H41 | H42 | 114.9° | 120.1° |
| N1 | C4 | C5 | C6 | 174.9° | 175.0° |
| N1 | C4 | C5 | O3 | 56.3° | 65.0° |
| N1 | C4 | C5 | H5 | 64.1° | 55.0° |
| HN1 | N1 | C4 | C5 | 8.9° | 66.2° |
| HN1 | N1 | C4 | H41 | 134.1° | 173.8° |
| HN1 | N1 | C4 | H42 | 116.4° | 53.8° |
| C5 | C4 | H41 | H42 | 114.9° | 119.9° |
| C4 | C5 | C6 | O3 | 120.5° | 120.0° |
| C4 | C5 | C6 | H5 | 119.1° | 120.0° |
| C4 | C5 | O3 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | N2 | 64.2° | 60.0° |
| C4 | C5 | C6 | C8 | 176.7° | 180.0° |
| C4 | C5 | C6 | H6 | 56.9° | 60.0° |
| C4 | C5 | O3 | HO3 | 180.0° | 60.0° |
| H41 | C4 | C5 | C6 | 59.8° | 55.0° |
| H41 | C4 | C5 | O3 | 178.4° | 174.9° |
| H41 | C4 | C5 | H5 | 61.2° | 65.0° |
| H42 | C4 | C5 | C6 | 49.7° | 64.9° |
| H42 | C4 | C5 | O3 | 68.9° | 55.0° |
| H42 | C4 | C5 | H5 | 170.7° | 175.1° |
| C6 | C5 | O3 | H5 | 121.0° | 120.0° |
| C5 | C6 | N2 | C8 | 120.5° | 120.0° |
| C5 | C6 | N2 | H6 | 119.7° | 120.0° |
| C5 | C6 | C8 | H6 | 119.7° | 120.1° |
| C5 | C6 | N2 | C7 | 108.7° | 85.0° |
| C5 | C6 | N2 | HN2 | 71.3° | 95.0° |
| C6 | C5 | O3 | HO3 | 60.1° | 60.0° |
| C5 | C6 | C8 | C29 | 173.6° | 175.0° |
| C5 | C6 | C8 | H81 | 61.2° | 64.9° |
| C5 | C6 | C8 | H82 | 48.3° | 55.0° |
| O3 | C5 | C6 | N2 | 175.3° | 180.0° |
| O3 | C5 | C6 | C8 | 56.2° | 60.0° |
| O3 | C5 | C6 | H6 | 63.6° | 60.0° |
| H5 | C5 | C6 | N2 | 54.9° | 60.0° |
| H5 | C5 | C6 | C8 | 64.2° | 60.0° |
| H5 | C5 | C6 | H6 | 176.0° | 179.9° |
| H5 | C5 | O3 | HO3 | 60.9° | 180.0° |
| N2 | C6 | C8 | H6 | 121.1° | 120.0° |
| C6 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 10.9° | 0.0° |
| C6 | N2 | C7 | C9 | 169.3° | 180.0° |
| N2 | C6 | C8 | C29 | 54.3° | 65.1° |
| N2 | C6 | C8 | H81 | 179.6° | 55.0° |
| N2 | C6 | C8 | H82 | 71.0° | 175.0° |
| C8 | C6 | N2 | C7 | 130.8° | 155.0° |
| C8 | C6 | N2 | HN2 | 49.2° | 25.0° |
| C6 | C8 | C29 | H81 | 125.3° | 120.1° |
| C6 | C8 | C29 | H82 | 125.3° | 119.9° |
| C6 | C8 | H81 | H82 | 117.2° | 119.9° |
| C6 | C8 | C29 | C24 | 46.8° | 90.0° |
| C6 | C8 | C29 | C28 | 132.6° | 90.2° |
| H6 | C6 | N2 | C7 | 11.0° | 35.0° |
| H6 | C6 | N2 | HN2 | 169.0° | 145.0° |
| H6 | C6 | C8 | C29 | 66.8° | 54.9° |
| H6 | C6 | C8 | H81 | 58.5° | 175.0° |
| H6 | C6 | C8 | H82 | 167.9° | 65.0° |
| N2 | C7 | O2 | C9 | 179.8° | 180.0° |
| N2 | C7 | C9 | C10 | 47.6° | 0.0° |
| N2 | C7 | C9 | C14 | 133.3° | 180.0° |
| HN2 | N2 | C7 | O2 | 169.1° | 180.0° |
| HN2 | N2 | C7 | C9 | 10.7° | 0.0° |
| O2 | C7 | C9 | C10 | 132.6° | 180.0° |
| O2 | C7 | C9 | C14 | 46.6° | 0.0° |
| C7 | C9 | C10 | C14 | 179.2° | 180.0° |
| C7 | C9 | C10 | C11 | 178.8° | 180.0° |
| C7 | C9 | C10 | H10 | 1.2° | 0.0° |
| C7 | C9 | C14 | C13 | 178.9° | 180.0° |
| C7 | C9 | C14 | H14 | 1.1° | 0.1° |
| C29 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | C29 | C24 | C25 | 178.4° | 180.0° |
| C8 | C29 | C24 | C28 | 179.4° | 179.8° |
| C8 | C29 | C24 | H24 | 1.5° | 0.0° |
| C8 | C29 | C28 | C27 | 179.5° | 179.7° |
| C8 | C29 | C28 | H28 | 0.5° | 0.2° |
| H81 | C8 | C29 | C24 | 78.4° | 30.0° |
| H81 | C8 | C29 | C28 | 102.1° | 149.7° |
| H82 | C8 | C29 | C24 | 172.1° | 150.1° |
| H82 | C8 | C29 | C28 | 7.3° | 29.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.2° |
| C9 | C10 | C11 | C15 | 176.8° | 179.9° |
| C10 | C9 | C14 | C13 | 0.3° | 0.0° |
| C10 | C9 | C14 | H14 | 179.7° | 180.0° |
| C14 | C9 | C10 | C11 | 0.4° | 0.0° |
| C14 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | C14 | C13 | C12 | 0.3° | 0.3° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C14 | C13 | N3 | 179.4° | 180.0° |
| C10 | C11 | C12 | C15 | 177.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.6° | 0.5° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C10 | C11 | C15 | O4 | 143.4° | 159.5° |
| C10 | C11 | C15 | C22 | 36.1° | 20.5° |
| H10 | C10 | C11 | C12 | 180.0° | 179.8° |
| H10 | C10 | C11 | C15 | 3.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.7° | 0.5° |
| C11 | C12 | C13 | N3 | 178.9° | 179.8° |
| C12 | C11 | C15 | O4 | 33.3° | 20.4° |
| C12 | C11 | C15 | C22 | 147.1° | 159.7° |
| C15 | C11 | C12 | C13 | 177.6° | 179.7° |
| C15 | C11 | C12 | H12 | 2.4° | 0.2° |
| C11 | C15 | O4 | C22 | 179.5° | 179.9° |
| C11 | C15 | C22 | C17 | 39.2° | 154.1° |
| C11 | C15 | C22 | C21 | 140.2° | 26.2° |
| C12 | C13 | C14 | N3 | 179.7° | 179.7° |
| C12 | C13 | C14 | H14 | 179.7° | 179.8° |
| C12 | C13 | N3 | C16 | 139.2° | 121.9° |
| C12 | C13 | N3 | S1 | 28.3° | 58.1° |
| H12 | C12 | C13 | C14 | 179.3° | 180.0° |
| H12 | C12 | C13 | N3 | 1.1° | 0.3° |
| C14 | C13 | N3 | C16 | 41.2° | 58.4° |
| C14 | C13 | N3 | S1 | 151.4° | 121.6° |
| N3 | C13 | C14 | H14 | 0.6° | 0.1° |
| C13 | N3 | C16 | S1 | 168.4° | 180.0° |
| C13 | N3 | C16 | H161 | 54.8° | 0.0° |
| C13 | N3 | C16 | H162 | 180.0° | 120.0° |
| C13 | N3 | C16 | H163 | 54.7° | 120.0° |
| C13 | N3 | S1 | C23 | 85.4° | 94.3° |
| C13 | N3 | S1 | O5 | 158.8° | 21.9° |
| C13 | N3 | S1 | O6 | 29.7° | 149.5° |
| O4 | C15 | C22 | C17 | 141.2° | 25.8° |
| O4 | C15 | C22 | C21 | 39.3° | 153.9° |
| C15 | C22 | C17 | C18 | 171.5° | 180.0° |
| C15 | C22 | C17 | C21 | 179.4° | 179.7° |
| C15 | C22 | C17 | H17 | 8.5° | 0.1° |
| C15 | C22 | C21 | C20 | 171.9° | 179.8° |
| C15 | C22 | C21 | H21 | 8.1° | 0.3° |
| N3 | C16 | H161 | H162 | 132.4° | 120.0° |
| N3 | C16 | H161 | H163 | 113.8° | 120.0° |
| N3 | C16 | H162 | H163 | 125.3° | 120.0° |
| C16 | N3 | S1 | C23 | 82.7° | 85.7° |
| C16 | N3 | S1 | O5 | 33.1° | 158.1° |
| C16 | N3 | S1 | O6 | 162.1° | 30.5° |
| S1 | N3 | C16 | H161 | 136.8° | 180.0° |
| S1 | N3 | C16 | H162 | 11.6° | 60.0° |
| S1 | N3 | C16 | H163 | 113.7° | 60.0° |
| N3 | S1 | C23 | O5 | 115.4° | 109.7° |
| N3 | S1 | C23 | O6 | 116.4° | 109.7° |
| N3 | S1 | O5 | O6 | 123.4° | 114.2° |
| N3 | S1 | C23 | H231 | 54.7° | 60.0° |
| N3 | S1 | C23 | H232 | 180.0° | 180.0° |
| N3 | S1 | C23 | H233 | 54.7° | 60.0° |
| H161 | C16 | H162 | H163 | 109.5° | 120.0° |
| C18 | C17 | C22 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 7.2° | 0.0° |
| C17 | C18 | C19 | H19 | 172.8° | 180.0° |
| C18 | C17 | C22 | C21 | 7.8° | 0.3° |
| C22 | C17 | C18 | C19 | 0.6° | 0.1° |
| C22 | C17 | C18 | H18 | 179.4° | 180.0° |
| C17 | C22 | C21 | C20 | 7.5° | 0.5° |
| C17 | C22 | C21 | H21 | 172.5° | 180.0° |
| H17 | C17 | C18 | C19 | 179.4° | 180.0° |
| H17 | C17 | C18 | H18 | 0.6° | 0.1° |
| H17 | C17 | C22 | C21 | 172.2° | 179.8° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 7.5° | 0.2° |
| C18 | C19 | C20 | H20 | 172.5° | 179.9° |
| H18 | C18 | C19 | C20 | 172.8° | 180.0° |
| H18 | C18 | C19 | H19 | 7.2° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.1° | 0.5° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 172.5° | 179.8° |
| H19 | C19 | C20 | H20 | 7.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| H20 | C20 | C21 | C22 | 179.9° | 179.7° |
| H20 | C20 | C21 | H21 | 0.0° | 0.2° |
| C23 | S1 | O5 | O6 | 121.3° | 135.8° |
| S1 | C23 | H231 | H232 | 122.1° | 120.0° |
| S1 | C23 | H231 | H233 | 118.9° | 120.0° |
| S1 | C23 | H232 | H233 | 125.3° | 120.0° |
| O5 | S1 | C23 | H231 | 60.6° | 49.7° |
| O5 | S1 | C23 | H232 | 64.6° | 70.3° |
| O5 | S1 | C23 | H233 | 170.1° | 169.7° |
| O6 | S1 | C23 | H231 | 171.2° | 169.7° |
| O6 | S1 | C23 | H232 | 63.6° | 70.3° |
| O6 | S1 | C23 | H233 | 61.7° | 49.7° |
| H231 | C23 | H232 | H233 | 109.5° | 120.0° |
| C25 | C24 | C29 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.2° | 0.0° |
| C24 | C25 | C26 | H26 | 178.8° | 180.0° |
| C25 | C24 | C29 | C28 | 0.9° | 0.3° |
| C29 | C24 | C25 | C26 | 0.4° | 0.0° |
| C29 | C24 | C25 | H25 | 179.6° | 180.0° |
| C24 | C29 | C28 | C27 | 0.0° | 0.5° |
| C24 | C29 | C28 | H28 | 180.0° | 180.0° |
| H24 | C24 | C25 | C26 | 179.7° | 180.0° |
| H24 | C24 | C25 | H25 | 0.3° | 0.0° |
| H24 | C24 | C29 | C28 | 179.1° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.1° | 0.3° |
| C25 | C26 | C27 | H27 | 177.9° | 180.0° |
| H25 | C25 | C26 | C27 | 178.8° | 180.0° |
| H25 | C25 | C26 | H26 | 1.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 1.5° | 0.5° |
| C26 | C27 | C28 | H28 | 178.5° | 180.0° |
| H26 | C26 | C27 | C28 | 177.9° | 179.8° |
| H26 | C26 | C27 | H27 | 2.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.5° |
| H27 | C27 | C28 | C29 | 178.5° | 179.7° |
| H27 | C27 | C28 | H28 | 1.5° | 0.3° |
