M1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.51Å | 1.55Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C12 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | N2 | sing | 1.39Å | 1.40Å | |
| C5 | C6 | sing | 1.37Å | 1.46Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.40Å | 1.47Å | Aromatic |
| C7 | C16 | sing | 1.48Å | 1.48Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N1 | C10 | sing | 1.47Å | 1.50Å | |
| N1 | C13 | sing | 1.47Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.34Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C11 | O1 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | sing | 1.49Å | 1.54Å | |
| C12 | N3 | doub | 1.30Å | 1.31Å | |
| N3 | O4 | sing | 1.42Å | 1.41Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | S1 | sing | 1.81Å | 1.78Å | |
| S1 | N4 | sing | 1.75Å | 1.69Å | |
| S1 | O2 | sing | 1.66Å | 1.46Å | |
| S1 | O3 | sing | 1.66Å | 1.45Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| N4 | C21 | sing | 1.47Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| 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 | |
| O4 | C22 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C25 | sing | 1.51Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O5 | sing | 1.43Å | 1.43Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C25 | O6 | sing | 1.34Å | 1.27Å | |
| C25 | O7 | doub | 1.21Å | 1.27Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C8 | 115.8° | 110.0° |
| C6 | C1 | H11 | 106.0° | 109.3° |
| C6 | C1 | H12 | 107.4° | 109.4° |
| C1 | C6 | C5 | 119.3° | 121.6° |
| C1 | C6 | C7 | 121.0° | 118.1° |
| C8 | C1 | H11 | 106.0° | 109.4° |
| C8 | C1 | H12 | 107.4° | 109.4° |
| C1 | C8 | N1 | 110.6° | 108.5° |
| C1 | C8 | H81 | 108.9° | 109.7° |
| C1 | C8 | H82 | 109.1° | 109.6° |
| H11 | C1 | H12 | 114.5° | 109.3° |
| C3 | C2 | C7 | 119.8° | 119.5° |
| C3 | C2 | H2 | 120.1° | 120.3° |
| C2 | C3 | C4 | 121.3° | 120.4° |
| C2 | C3 | C12 | 132.1° | 133.1° |
| C7 | C2 | H2 | 120.1° | 120.3° |
| C2 | C7 | C6 | 119.3° | 120.2° |
| C2 | C7 | C16 | 117.3° | 119.9° |
| C4 | C3 | C12 | 106.6° | 106.5° |
| C3 | C4 | C5 | 121.9° | 119.6° |
| C3 | C4 | N2 | 110.6° | 109.5° |
| C3 | C12 | C11 | 105.3° | 104.8° |
| C3 | C12 | N3 | 134.4° | 127.6° |
| C5 | C4 | N2 | 127.5° | 130.9° |
| C4 | C5 | C6 | 118.0° | 120.1° |
| C4 | C5 | C10 | 121.4° | 118.0° |
| C4 | N2 | C11 | 111.4° | 111.5° |
| C4 | N2 | HN2 | 124.3° | 124.2° |
| C6 | C5 | C10 | 120.6° | 121.9° |
| C5 | C6 | C7 | 119.7° | 120.3° |
| C5 | C10 | N1 | 112.8° | 110.5° |
| C5 | C10 | H101 | 107.6° | 109.2° |
| C5 | C10 | H102 | 108.4° | 109.3° |
| C6 | C7 | C16 | 123.4° | 119.9° |
| C7 | C16 | C15 | 121.6° | 120.1° |
| C7 | C16 | C17 | 119.6° | 120.2° |
| N1 | C8 | H81 | 108.8° | 109.7° |
| N1 | C8 | H82 | 109.1° | 109.6° |
| C8 | N1 | C10 | 111.5° | 110.2° |
| C8 | N1 | C13 | 111.2° | 111.0° |
| H81 | C8 | H82 | 110.3° | 109.8° |
| C10 | N1 | C13 | 110.3° | 111.0° |
| N1 | C10 | H101 | 107.6° | 109.3° |
| N1 | C10 | H102 | 108.4° | 109.2° |
| N1 | C13 | H131 | 109.4° | 109.5° |
| N1 | C13 | H132 | 109.5° | 109.5° |
| N1 | C13 | H133 | 109.5° | 109.4° |
| H101 | C10 | H102 | 112.1° | 109.2° |
| C11 | N2 | HN2 | 124.3° | 124.3° |
| N2 | C11 | O1 | 128.4° | 126.1° |
| N2 | C11 | C12 | 106.1° | 107.8° |
| O1 | C11 | C12 | 125.5° | 126.1° |
| C11 | C12 | N3 | 120.3° | 127.6° |
| C12 | N3 | O4 | 113.9° | 120.0° |
| N3 | O4 | C22 | 110.4° | 114.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| C15 | C14 | C19 | 119.7° | 120.1° |
| C15 | C14 | H14 | 120.2° | 119.9° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C14 | C15 | H15 | 119.8° | 120.1° |
| C19 | C14 | H14 | 120.2° | 120.0° |
| C14 | C19 | C18 | 120.6° | 120.3° |
| C14 | C19 | S1 | 120.0° | 119.8° |
| C16 | C15 | H15 | 119.8° | 120.1° |
| C15 | C16 | C17 | 118.8° | 119.8° |
| C16 | C17 | C18 | 120.9° | 119.9° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C18 | C17 | H17 | 119.5° | 120.1° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C17 | C18 | H18 | 120.2° | 119.9° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | S1 | 119.4° | 119.9° |
| C19 | S1 | N4 | 102.4° | 180.0° |
| C19 | S1 | O2 | 107.9° | 90.0° |
| C19 | S1 | O3 | 108.2° | 90.0° |
| N4 | S1 | O2 | 108.8° | 90.0° |
| N4 | S1 | O3 | 109.4° | 90.0° |
| S1 | N4 | C20 | 121.7° | 111.0° |
| S1 | N4 | C21 | 122.2° | 111.0° |
| O2 | S1 | O3 | 118.9° | 120.0° |
| S1 | O2 | HO2 | 109.5° | 114.0° |
| S1 | O3 | HO3 | 109.5° | 113.9° |
| C20 | N4 | C21 | 116.1° | 111.0° |
| N4 | C20 | H201 | 109.4° | 109.4° |
| N4 | C20 | H202 | 109.5° | 109.5° |
| N4 | C20 | H203 | 109.5° | 109.5° |
| N4 | C21 | H211 | 109.5° | 109.5° |
| N4 | C21 | H212 | 109.5° | 109.5° |
| N4 | C21 | H213 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| O4 | C22 | C23 | 108.8° | 109.5° |
| O4 | C22 | C25 | 110.5° | 109.4° |
| O4 | C22 | H22 | 109.1° | 109.5° |
| C23 | C22 | C25 | 109.2° | 109.5° |
| C23 | C22 | H22 | 110.4° | 109.5° |
| C22 | C23 | C24 | 113.6° | 109.5° |
| C22 | C23 | H231 | 107.2° | 109.5° |
| C22 | C23 | H232 | 108.1° | 109.5° |
| C25 | C22 | H22 | 108.7° | 109.4° |
| C22 | C25 | O6 | 116.7° | 120.0° |
| C22 | C25 | O7 | 118.6° | 120.0° |
| C24 | C23 | H231 | 107.2° | 109.4° |
| C24 | C23 | H232 | 108.1° | 109.4° |
| C23 | C24 | O5 | 111.0° | 109.5° |
| C23 | C24 | H241 | 108.7° | 109.5° |
| C23 | C24 | H242 | 109.0° | 109.4° |
| H231 | C23 | H232 | 112.7° | 109.5° |
| O5 | C24 | H241 | 108.6° | 109.5° |
| O5 | C24 | H242 | 109.0° | 109.5° |
| C24 | O5 | HO5 | 109.5° | 114.0° |
| H241 | C24 | H242 | 110.6° | 109.5° |
| O6 | C25 | O7 | 124.7° | 120.0° |
| C25 | O6 | HO6 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C8 | H11 | 117.2° | 120.1° |
| C6 | C1 | C8 | H12 | 120.0° | 120.2° |
| C6 | C1 | H11 | H12 | 118.2° | 119.8° |
| C1 | C6 | C7 | C2 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 180.0° | 179.7° |
| C1 | C6 | C5 | C7 | 179.7° | 179.9° |
| C1 | C6 | C5 | C10 | 0.1° | 0.6° |
| C1 | C6 | C7 | C16 | 0.2° | 0.2° |
| C6 | C1 | C8 | N1 | 36.6° | 50.5° |
| C6 | C1 | C8 | H81 | 156.2° | 69.3° |
| C6 | C1 | C8 | H82 | 83.3° | 170.2° |
| C8 | C1 | H11 | H12 | 118.2° | 119.8° |
| C8 | C1 | C6 | C5 | 6.7° | 17.1° |
| C8 | C1 | C6 | C7 | 173.0° | 163.0° |
| C1 | C8 | N1 | H81 | 119.5° | 119.8° |
| C1 | C8 | N1 | H82 | 120.0° | 119.7° |
| C1 | C8 | H81 | H82 | 119.7° | 120.5° |
| C1 | C8 | N1 | C10 | 61.6° | 71.2° |
| C1 | C8 | N1 | C13 | 174.7° | 165.4° |
| H11 | C1 | C6 | C5 | 123.8° | 137.2° |
| H11 | C1 | C6 | C7 | 55.9° | 42.9° |
| H11 | C1 | C8 | N1 | 153.8° | 170.6° |
| H11 | C1 | C8 | H81 | 86.7° | 50.9° |
| H11 | C1 | C8 | H82 | 33.8° | 69.7° |
| H12 | C1 | C6 | C5 | 113.3° | 103.1° |
| H12 | C1 | C6 | C7 | 67.0° | 76.8° |
| H12 | C1 | C8 | N1 | 83.4° | 69.7° |
| H12 | C1 | C8 | H81 | 36.2° | 170.6° |
| H12 | C1 | C8 | H82 | 156.6° | 50.0° |
| C3 | C2 | C7 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C12 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C2 | C3 | C4 | N2 | 179.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.4° | 0.0° |
| C3 | C2 | C7 | C16 | 179.3° | 180.0° |
| C2 | C3 | C12 | C11 | 179.8° | 180.0° |
| C2 | C3 | C12 | N3 | 0.9° | 0.0° |
| C7 | C2 | C3 | C4 | 0.6° | 0.1° |
| C7 | C2 | C3 | C12 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.2° | 0.2° |
| C2 | C7 | C6 | C16 | 179.7° | 180.0° |
| C2 | C7 | C16 | C15 | 102.1° | 50.0° |
| C2 | C7 | C16 | C17 | 78.0° | 129.9° |
| H2 | C2 | C3 | C4 | 179.4° | 179.8° |
| H2 | C2 | C3 | C12 | 0.0° | 0.2° |
| H2 | C2 | C7 | C6 | 179.6° | 179.9° |
| H2 | C2 | C7 | C16 | 0.7° | 0.1° |
| C3 | C4 | C5 | N2 | 179.3° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C3 | C4 | C5 | C10 | 179.6° | 179.6° |
| C3 | C4 | N2 | C11 | 0.3° | 0.0° |
| C3 | C4 | N2 | HN2 | 179.7° | 180.0° |
| C4 | C3 | C12 | C11 | 0.3° | 0.0° |
| C4 | C3 | C12 | N3 | 179.6° | 180.0° |
| C12 | C3 | C4 | C5 | 179.8° | 180.0° |
| C12 | C3 | C4 | N2 | 0.4° | 0.0° |
| C3 | C12 | C11 | N2 | 0.2° | 0.0° |
| C3 | C12 | C11 | O1 | 179.7° | 180.0° |
| C3 | C12 | C11 | N3 | 179.4° | 180.0° |
| C3 | C12 | N3 | O4 | 0.3° | 0.0° |
| C4 | C5 | C6 | C10 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C4 | C5 | C10 | N1 | 156.2° | 162.7° |
| C4 | C5 | C10 | H101 | 85.2° | 42.3° |
| C4 | C5 | C10 | H102 | 36.2° | 77.1° |
| C5 | C4 | N2 | C11 | 179.6° | 179.9° |
| C5 | C4 | N2 | HN2 | 0.4° | 0.1° |
| N2 | C4 | C5 | C6 | 179.8° | 179.8° |
| N2 | C4 | C5 | C10 | 0.3° | 0.4° |
| C4 | N2 | C11 | HN2 | 180.0° | 180.0° |
| C4 | N2 | C11 | O1 | 180.0° | 180.0° |
| C4 | N2 | C11 | C12 | 0.0° | 0.0° |
| C5 | C6 | C7 | C16 | 179.5° | 179.8° |
| C6 | C5 | C10 | N1 | 23.7° | 17.5° |
| C6 | C5 | C10 | H101 | 94.9° | 137.9° |
| C6 | C5 | C10 | H102 | 143.7° | 102.7° |
| C10 | C5 | C6 | C7 | 179.8° | 179.5° |
| C5 | C10 | N1 | C8 | 55.2° | 52.5° |
| C5 | C10 | N1 | H101 | 118.6° | 120.3° |
| C5 | C10 | N1 | H102 | 120.0° | 120.3° |
| C5 | C10 | N1 | C13 | 179.3° | 175.9° |
| C5 | C10 | H101 | H102 | 119.1° | 119.5° |
| C6 | C7 | C16 | C15 | 78.2° | 130.0° |
| C6 | C7 | C16 | C17 | 101.6° | 50.0° |
| C7 | C16 | C15 | C14 | 179.8° | 180.0° |
| C7 | C16 | C15 | C17 | 179.9° | 180.0° |
| C7 | C16 | C15 | H15 | 0.2° | 0.1° |
| C7 | C16 | C17 | C18 | 179.9° | 180.0° |
| C7 | C16 | C17 | H17 | 0.1° | 0.0° |
| N1 | C8 | H81 | H82 | 119.7° | 120.4° |
| C8 | N1 | C10 | C13 | 124.1° | 123.4° |
| C8 | N1 | C10 | H101 | 63.4° | 172.7° |
| C8 | N1 | C10 | H102 | 175.2° | 67.8° |
| C8 | N1 | C13 | H131 | 56.0° | 56.1° |
| C8 | N1 | C13 | H132 | 176.1° | 176.1° |
| C8 | N1 | C13 | H133 | 63.9° | 64.0° |
| H81 | C8 | N1 | C10 | 178.8° | 48.5° |
| H81 | C8 | N1 | C13 | 55.2° | 74.8° |
| H82 | C8 | N1 | C10 | 58.4° | 169.1° |
| H82 | C8 | N1 | C13 | 65.2° | 45.7° |
| N1 | C10 | H101 | H102 | 119.1° | 119.5° |
| C10 | N1 | C13 | H131 | 68.3° | 179.0° |
| C10 | N1 | C13 | H132 | 51.8° | 61.0° |
| C10 | N1 | C13 | H133 | 171.8° | 59.0° |
| C13 | N1 | C10 | H101 | 60.7° | 63.9° |
| C13 | N1 | C10 | H102 | 60.7° | 55.6° |
| N1 | C13 | H131 | H132 | 120.0° | 120.0° |
| N1 | C13 | H131 | H133 | 120.0° | 120.0° |
| N1 | C13 | H132 | H133 | 120.0° | 119.9° |
| N2 | C11 | O1 | C12 | 179.9° | 180.0° |
| N2 | C11 | C12 | N3 | 179.6° | 180.0° |
| HN2 | N2 | C11 | O1 | 0.0° | 0.0° |
| HN2 | N2 | C11 | C12 | 180.0° | 180.0° |
| O1 | C11 | C12 | N3 | 0.3° | 0.0° |
| C11 | C12 | N3 | O4 | 179.5° | 180.0° |
| C12 | N3 | O4 | C22 | 179.9° | 180.0° |
| N3 | O4 | C22 | C23 | 160.6° | 155.0° |
| N3 | O4 | C22 | C25 | 79.5° | 85.0° |
| N3 | O4 | C22 | H22 | 40.0° | 34.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C15 | C14 | C19 | H14 | 180.0° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C19 | C18 | 0.0° | 0.1° |
| C15 | C14 | C19 | S1 | 179.8° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C19 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C14 | C19 | C18 | S1 | 179.8° | 179.9° |
| C14 | C19 | C18 | H18 | 179.9° | 180.0° |
| C14 | C19 | S1 | N4 | 94.3° | 154.7° |
| C14 | C19 | S1 | O2 | 151.0° | 180.0° |
| C14 | C19 | S1 | O3 | 21.2° | 60.1° |
| H14 | C14 | C15 | C16 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.1° | 0.2° |
| H14 | C14 | C19 | C18 | 180.0° | 179.8° |
| H14 | C14 | C19 | S1 | 0.2° | 0.2° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | S1 | 179.7° | 180.0° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| C18 | C19 | S1 | N4 | 85.9° | 25.4° |
| C18 | C19 | S1 | O2 | 28.8° | 0.0° |
| C18 | C19 | S1 | O3 | 158.7° | 120.0° |
| H18 | C18 | C19 | S1 | 0.3° | 0.1° |
| C19 | S1 | N4 | O2 | 114.1° | 25.3° |
| C19 | S1 | N4 | O3 | 114.5° | 94.6° |
| C19 | S1 | O2 | O3 | 123.6° | 90.0° |
| C19 | S1 | N4 | C20 | 102.1° | 154.7° |
| C19 | S1 | N4 | C21 | 77.9° | 30.7° |
| C19 | S1 | O2 | HO2 | 119.8° | 90.0° |
| C19 | S1 | O3 | HO3 | 59.7° | 90.0° |
| N4 | S1 | O2 | O3 | 126.1° | 90.0° |
| S1 | N4 | C20 | C21 | 180.0° | 124.0° |
| N4 | S1 | O2 | HO2 | 129.8° | 90.1° |
| N4 | S1 | O3 | HO3 | 51.0° | 90.0° |
| S1 | N4 | C20 | H201 | 50.1° | 60.0° |
| S1 | N4 | C20 | H202 | 170.1° | 180.0° |
| S1 | N4 | C20 | H203 | 69.9° | 59.9° |
| S1 | N4 | C21 | H211 | 104.9° | 60.0° |
| S1 | N4 | C21 | H212 | 15.1° | 180.0° |
| S1 | N4 | C21 | H213 | 135.1° | 60.0° |
| O2 | S1 | N4 | C20 | 11.9° | 179.9° |
| O2 | S1 | N4 | C21 | 168.1° | 56.0° |
| O2 | S1 | O3 | HO3 | 176.9° | 180.0° |
| O3 | S1 | N4 | C20 | 143.3° | 60.1° |
| O3 | S1 | N4 | C21 | 36.7° | 63.9° |
| O3 | S1 | O2 | HO2 | 3.7° | 180.0° |
| N4 | C20 | H201 | H202 | 120.0° | 120.0° |
| N4 | C20 | H201 | H203 | 120.0° | 119.9° |
| N4 | C20 | H202 | H203 | 120.0° | 120.1° |
| C20 | N4 | C21 | H211 | 75.1° | 176.0° |
| C20 | N4 | C21 | H212 | 164.9° | 56.0° |
| C20 | N4 | C21 | H213 | 44.9° | 64.0° |
| C21 | N4 | C20 | H201 | 129.9° | 64.0° |
| C21 | N4 | C20 | H202 | 9.9° | 56.0° |
| C21 | N4 | C20 | H203 | 110.1° | 176.1° |
| N4 | C21 | H211 | H212 | 120.0° | 120.0° |
| N4 | C21 | H211 | H213 | 120.0° | 120.0° |
| N4 | C21 | H212 | H213 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| O4 | C22 | C23 | C25 | 120.7° | 120.0° |
| O4 | C22 | C23 | H22 | 119.8° | 120.1° |
| O4 | C22 | C25 | H22 | 119.7° | 120.0° |
| O4 | C22 | C23 | C24 | 59.0° | 65.0° |
| O4 | C22 | C23 | H231 | 177.2° | 54.9° |
| O4 | C22 | C23 | H232 | 61.0° | 175.0° |
| O4 | C22 | C25 | O6 | 133.2° | 180.0° |
| O4 | C22 | C25 | O7 | 46.6° | 0.1° |
| C23 | C22 | C25 | H22 | 120.6° | 120.0° |
| C22 | C23 | C24 | H231 | 118.2° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 118.9° | 120.0° |
| C22 | C23 | C24 | O5 | 49.0° | 180.0° |
| C22 | C23 | C24 | H241 | 168.4° | 60.0° |
| C22 | C23 | C24 | H242 | 71.0° | 60.0° |
| C23 | C22 | C25 | O6 | 107.1° | 60.0° |
| C23 | C22 | C25 | O7 | 73.2° | 119.9° |
| C25 | C22 | C23 | C24 | 179.7° | 175.0° |
| C25 | C22 | C23 | H231 | 62.1° | 65.0° |
| C25 | C22 | C23 | H232 | 59.7° | 55.0° |
| C22 | C25 | O6 | O7 | 179.7° | 179.9° |
| C22 | C25 | O6 | HO6 | 179.7° | 179.9° |
| H22 | C22 | C23 | C24 | 60.8° | 55.0° |
| H22 | C22 | C23 | H231 | 57.4° | 175.0° |
| H22 | C22 | C23 | H232 | 179.2° | 65.0° |
| H22 | C22 | C25 | O6 | 13.5° | 60.0° |
| H22 | C22 | C25 | O7 | 166.3° | 120.0° |
| C24 | C23 | H231 | H232 | 118.8° | 119.9° |
| C23 | C24 | O5 | H241 | 119.4° | 120.0° |
| C23 | C24 | O5 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 119.6° | 120.0° |
| C23 | C24 | O5 | HO5 | 17.0° | 180.0° |
| H231 | C23 | C24 | O5 | 69.2° | 60.0° |
| H231 | C23 | C24 | H241 | 50.2° | 180.0° |
| H231 | C23 | C24 | H242 | 170.8° | 60.0° |
| H232 | C23 | C24 | O5 | 169.1° | 60.0° |
| H232 | C23 | C24 | H241 | 71.6° | 60.0° |
| H232 | C23 | C24 | H242 | 49.0° | 180.0° |
| O5 | C24 | H241 | H242 | 119.6° | 120.0° |
| H241 | C24 | O5 | HO5 | 102.4° | 60.0° |
| H242 | C24 | O5 | HO5 | 137.0° | 60.0° |
| O7 | C25 | O6 | HO6 | 0.0° | 0.0° |
