D6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| S | C22 | sing | 1.81Å | 1.78Å | |
| S | N4 | sing | 1.66Å | 1.62Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C14 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C13 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.49Å | |
| C3 | O | doub | 1.21Å | 1.23Å | |
| C3 | N | sing | 1.35Å | 1.34Å | |
| N | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N2 | sing | 1.38Å | 1.34Å | |
| C9 | N1 | doub | 1.30Å | 1.28Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S | O2 | 119.4° | 121.0° |
| O3 | S | C22 | 106.5° | 110.5° |
| O3 | S | N4 | 106.7° | 104.3° |
| O2 | S | C22 | 109.3° | 110.6° |
| O2 | S | N4 | 106.3° | 104.3° |
| C22 | S | N4 | 108.4° | 104.4° |
| S | C22 | C23 | 112.3° | 109.5° |
| S | C22 | H221 | 108.7° | 109.5° |
| S | C22 | H222 | 108.8° | 109.5° |
| S | N4 | C14 | 119.8° | 120.0° |
| S | N4 | H4 | 106.8° | 120.0° |
| C22 | C23 | C28 | 120.8° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C23 | C22 | H221 | 108.8° | 109.4° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C28 | C23 | C24 | 118.4° | 120.0° |
| C23 | C28 | C27 | 120.7° | 120.0° |
| C23 | C28 | H28 | 119.7° | 120.0° |
| C23 | C24 | C25 | 120.8° | 120.0° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | H28 | 119.6° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C26 | C25 | 119.7° | 119.9° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C27 | C26 | H26 | 120.2° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| N4 | C14 | C15 | 109.6° | 109.5° |
| N4 | C14 | C13 | 117.5° | 109.5° |
| C14 | N4 | H4 | 106.8° | 120.0° |
| N4 | C14 | H14 | 106.9° | 109.5° |
| C15 | C14 | C13 | 109.9° | 109.4° |
| C14 | C15 | C16 | 114.9° | 109.4° |
| C15 | C14 | H14 | 106.1° | 109.5° |
| C14 | C15 | H151 | 108.1° | 109.5° |
| C14 | C15 | H152 | 108.1° | 109.5° |
| C14 | C13 | O1 | 118.8° | 120.0° |
| C14 | C13 | N3 | 119.2° | 120.0° |
| C13 | C14 | H14 | 106.2° | 109.4° |
| C15 | C16 | C21 | 120.7° | 120.0° |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C16 | C15 | H151 | 108.1° | 109.4° |
| C16 | C15 | H152 | 108.1° | 109.5° |
| C21 | C16 | C17 | 118.4° | 120.0° |
| C16 | C21 | C20 | 120.8° | 120.0° |
| C16 | C21 | H21 | 119.6° | 120.1° |
| C16 | C17 | C18 | 120.8° | 120.0° |
| C16 | C17 | H17 | 119.6° | 120.1° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C20 | C21 | H21 | 119.6° | 119.9° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.6° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C17 | H17 | 119.6° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| O1 | C13 | N3 | 121.9° | 120.0° |
| C13 | N3 | C12 | 124.4° | 120.0° |
| C13 | N3 | C2 | 117.8° | 120.0° |
| C12 | N3 | C2 | 117.8° | 120.0° |
| N3 | C12 | H121 | 109.5° | 109.5° |
| N3 | C12 | H122 | 109.5° | 109.5° |
| N3 | C12 | H123 | 109.4° | 109.5° |
| N3 | C2 | C1 | 112.3° | 109.4° |
| N3 | C2 | C3 | 110.2° | 109.5° |
| N3 | C2 | H2 | 107.8° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C2 | C1 | C | 112.9° | 109.5° |
| C1 | C2 | H2 | 107.1° | 109.5° |
| C2 | C1 | H11C | 108.6° | 109.5° |
| C2 | C1 | H12C | 108.6° | 109.4° |
| C2 | C3 | O | 120.9° | 120.0° |
| C2 | C3 | N | 116.0° | 120.0° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C | C1 | H11C | 108.6° | 109.5° |
| C | C1 | H12C | 108.6° | 109.5° |
| C1 | C | HC1 | 109.5° | 109.4° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.4° |
| O | C3 | N | 123.0° | 120.0° |
| C3 | N | C4 | 122.7° | 120.0° |
| C3 | N | H | 118.7° | 120.0° |
| N | C4 | C5 | 113.3° | 109.5° |
| C4 | N | H | 118.6° | 120.0° |
| N | C4 | H41C | 108.5° | 109.5° |
| N | C4 | H42C | 108.5° | 109.5° |
| C4 | C5 | C11 | 120.4° | 119.9° |
| C4 | C5 | C6 | 121.2° | 119.9° |
| C5 | C4 | H41C | 108.5° | 109.5° |
| C5 | C4 | H42C | 108.5° | 109.4° |
| C11 | C5 | C6 | 118.3° | 120.3° |
| C5 | C11 | C10 | 121.2° | 120.1° |
| C5 | C11 | H11 | 119.4° | 119.9° |
| C5 | C6 | C7 | 120.9° | 120.1° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| C11 | C10 | C8 | 120.6° | 119.9° |
| C10 | C11 | H11 | 119.4° | 119.9° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C8 | C9 | 119.6° | 120.1° |
| C10 | C8 | C7 | 118.3° | 119.7° |
| C8 | C10 | H10 | 119.7° | 120.1° |
| C9 | C8 | C7 | 122.1° | 120.2° |
| C8 | C9 | N2 | 117.8° | 120.0° |
| C8 | C9 | N1 | 125.5° | 120.0° |
| C8 | C7 | C6 | 120.7° | 119.9° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| N2 | C9 | N1 | 116.6° | 120.0° |
| C9 | N2 | H21N | 120.0° | 120.0° |
| C9 | N2 | H22N | 120.0° | 120.0° |
| C9 | N1 | H1 | 112.0° | 120.0° |
| C7 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.1° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.4° | 109.5° |
| H21N | N2 | H22N | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S | O2 | C22 | 122.8° | 131.6° |
| O3 | S | O2 | N4 | 120.5° | 116.7° |
| O3 | S | C22 | N4 | 114.4° | 111.6° |
| O3 | S | C22 | C23 | 86.5° | 73.2° |
| O3 | S | N4 | C14 | 43.5° | 50.5° |
| O3 | S | C22 | H221 | 153.0° | 46.7° |
| O3 | S | C22 | H222 | 33.9° | 166.7° |
| O3 | S | N4 | H4 | 165.0° | 129.5° |
| O2 | S | C22 | N4 | 115.4° | 111.6° |
| O2 | S | C22 | C23 | 43.6° | 63.6° |
| O2 | S | N4 | C14 | 171.9° | 178.4° |
| O2 | S | C22 | H221 | 76.8° | 176.5° |
| O2 | S | C22 | H222 | 164.0° | 56.5° |
| O2 | S | N4 | H4 | 66.7° | 1.7° |
| S | C22 | C23 | H221 | 120.4° | 120.0° |
| S | C22 | C23 | H222 | 120.4° | 120.1° |
| S | C22 | C23 | C28 | 83.7° | 90.0° |
| S | C22 | C23 | C24 | 96.2° | 90.3° |
| C22 | S | N4 | C14 | 70.7° | 65.5° |
| S | C22 | H221 | H222 | 118.7° | 120.1° |
| C22 | S | N4 | H4 | 50.7° | 114.4° |
| N4 | S | C22 | C23 | 159.0° | 175.2° |
| S | N4 | C14 | H4 | 121.4° | 179.9° |
| S | N4 | C14 | C15 | 158.2° | 145.0° |
| S | N4 | C14 | C13 | 75.5° | 95.1° |
| N4 | S | C22 | H221 | 38.6° | 64.9° |
| N4 | S | C22 | H222 | 80.6° | 55.1° |
| S | N4 | C14 | H14 | 43.7° | 24.9° |
| C22 | C23 | C28 | C24 | 179.9° | 179.7° |
| C22 | C23 | C28 | C27 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 179.8° | 179.8° |
| C23 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C23 | C28 | H28 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 0.2° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.5° |
| C28 | C23 | C22 | H221 | 155.9° | 30.0° |
| C28 | C23 | C22 | H222 | 36.7° | 149.9° |
| C28 | C23 | C24 | H24 | 179.9° | 179.7° |
| C23 | C28 | C27 | H27 | 179.9° | 179.9° |
| C24 | C23 | C28 | C27 | 0.1° | 0.3° |
| C23 | C24 | C25 | C26 | 0.1° | 0.5° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C24 | C23 | C22 | H221 | 24.2° | 149.7° |
| C24 | C23 | C22 | H222 | 143.4° | 29.8° |
| C24 | C23 | C28 | H28 | 179.9° | 179.8° |
| C23 | C24 | C25 | H25 | 179.9° | 179.8° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H26 | 179.8° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.2° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | C25 | H25 | 179.7° | 180.0° |
| C26 | C25 | C24 | H25 | 180.0° | 179.7° |
| C26 | C25 | C24 | H24 | 179.9° | 179.7° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C24 | C25 | C26 | H26 | 179.7° | 179.8° |
| N4 | C14 | C15 | C13 | 130.5° | 120.0° |
| N4 | C14 | C15 | H14 | 115.1° | 120.1° |
| N4 | C14 | C13 | H14 | 119.5° | 120.0° |
| N4 | C14 | C15 | C16 | 177.3° | 65.5° |
| N4 | C14 | C13 | O1 | 48.0° | 18.4° |
| N4 | C14 | C13 | N3 | 128.8° | 161.6° |
| N4 | C14 | C15 | H151 | 56.4° | 174.5° |
| N4 | C14 | C15 | H152 | 62.0° | 54.5° |
| C15 | C14 | C13 | H14 | 114.3° | 120.0° |
| C14 | C15 | C16 | H151 | 120.8° | 120.0° |
| C14 | C15 | C16 | H152 | 120.8° | 120.0° |
| C14 | C15 | C16 | C21 | 108.8° | 92.7° |
| C14 | C15 | C16 | C17 | 72.6° | 87.6° |
| C15 | C14 | C13 | O1 | 78.2° | 101.6° |
| C15 | C14 | C13 | N3 | 105.0° | 78.4° |
| C15 | C14 | N4 | H4 | 80.3° | 35.0° |
| C14 | C15 | H151 | H152 | 117.5° | 120.1° |
| C13 | C14 | C15 | C16 | 46.7° | 174.5° |
| C14 | C13 | O1 | N3 | 176.7° | 180.0° |
| C14 | C13 | N3 | C12 | 2.5° | 175.3° |
| C14 | C13 | N3 | C2 | 177.5° | 4.7° |
| C13 | C14 | N4 | H4 | 46.0° | 85.0° |
| C13 | C14 | C15 | H151 | 74.1° | 54.5° |
| C13 | C14 | C15 | H152 | 167.5° | 65.5° |
| C15 | C16 | C21 | C17 | 178.6° | 179.7° |
| C15 | C16 | C21 | C20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 179.8° | 179.8° |
| C16 | C15 | C14 | H14 | 67.6° | 54.6° |
| C16 | C15 | H151 | H152 | 117.5° | 120.0° |
| C15 | C16 | C21 | H21 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 0.2° | 0.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C16 | C17 | C18 | 1.2° | 0.4° |
| C21 | C16 | C15 | H151 | 12.0° | 27.3° |
| C21 | C16 | C15 | H152 | 130.4° | 147.2° |
| C21 | C16 | C17 | H17 | 178.8° | 179.7° |
| C16 | C21 | C20 | H20 | 179.4° | 180.0° |
| C17 | C16 | C21 | C20 | 1.3° | 0.2° |
| C16 | C17 | C18 | C19 | 0.3° | 0.4° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C17 | C16 | C15 | H151 | 166.6° | 152.4° |
| C17 | C16 | C15 | H152 | 48.2° | 32.5° |
| C17 | C16 | C21 | H21 | 178.7° | 179.7° |
| C16 | C17 | C18 | H18 | 179.7° | 179.7° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H19 | 179.7° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C19 | C20 | C21 | H21 | 179.4° | 179.9° |
| C20 | C19 | C18 | H18 | 179.6° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | H17 | 179.6° | 179.8° |
| C18 | C19 | C20 | H20 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 179.6° | 179.9° |
| O1 | C13 | N3 | C12 | 174.1° | 4.8° |
| O1 | C13 | N3 | C2 | 5.9° | 175.2° |
| O1 | C13 | C14 | H14 | 167.5° | 138.4° |
| C13 | N3 | C12 | C2 | 180.0° | 180.0° |
| C13 | N3 | C2 | C1 | 167.6° | 123.6° |
| C13 | N3 | C2 | C3 | 66.6° | 116.5° |
| N3 | C13 | C14 | H14 | 9.2° | 41.5° |
| C13 | N3 | C12 | H121 | 180.0° | 94.1° |
| C13 | N3 | C12 | H122 | 60.0° | 145.9° |
| C13 | N3 | C12 | H123 | 60.0° | 25.9° |
| C13 | N3 | C2 | H2 | 49.9° | 3.6° |
| C12 | N3 | C2 | C1 | 12.4° | 56.4° |
| C12 | N3 | C2 | C3 | 113.4° | 63.5° |
| N3 | C12 | H121 | H122 | 120.0° | 120.0° |
| N3 | C12 | H121 | H123 | 120.0° | 120.0° |
| N3 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | N3 | C2 | H2 | 130.1° | 176.4° |
| N3 | C2 | C1 | C3 | 124.7° | 120.0° |
| N3 | C2 | C1 | H2 | 118.1° | 120.0° |
| N3 | C2 | C3 | H2 | 116.9° | 120.0° |
| N3 | C2 | C1 | C | 178.2° | 65.0° |
| N3 | C2 | C3 | O | 47.3° | 0.1° |
| N3 | C2 | C3 | N | 132.0° | 180.0° |
| C2 | N3 | C12 | H121 | 0.0° | 85.9° |
| C2 | N3 | C12 | H122 | 120.0° | 34.1° |
| C2 | N3 | C12 | H123 | 120.1° | 154.1° |
| N3 | C2 | C1 | H11C | 57.7° | 55.0° |
| N3 | C2 | C1 | H12C | 61.3° | 175.0° |
| C1 | C2 | C3 | H2 | 117.2° | 120.0° |
| C2 | C1 | C | H11C | 120.5° | 120.0° |
| C2 | C1 | C | H12C | 120.5° | 119.9° |
| C1 | C2 | C3 | O | 78.5° | 120.0° |
| C1 | C2 | C3 | N | 102.2° | 60.1° |
| C2 | C1 | H11C | H12C | 118.4° | 120.0° |
| C2 | C1 | C | HC1 | 180.0° | 180.0° |
| C2 | C1 | C | HC2 | 60.0° | 60.0° |
| C2 | C1 | C | HC3 | 60.0° | 60.0° |
| C3 | C2 | C1 | C | 57.1° | 175.0° |
| C2 | C3 | O | N | 179.2° | 179.9° |
| C2 | C3 | N | C4 | 176.2° | 180.0° |
| C3 | C2 | C1 | H11C | 177.6° | 65.0° |
| C3 | C2 | C1 | H12C | 63.4° | 55.1° |
| C2 | C3 | N | H | 3.8° | 0.1° |
| C | C1 | C2 | H2 | 60.1° | 54.9° |
| C | C1 | H11C | H12C | 118.5° | 120.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 119.9° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| O | C3 | N | C4 | 4.5° | 0.1° |
| O | C3 | C2 | H2 | 164.3° | 120.0° |
| O | C3 | N | H | 175.5° | 180.0° |
| C3 | N | C4 | H | 180.0° | 179.9° |
| C3 | N | C4 | C5 | 104.4° | 180.0° |
| N | C3 | C2 | H2 | 15.0° | 60.0° |
| C3 | N | C4 | H41C | 135.0° | 59.9° |
| C3 | N | C4 | H42C | 16.2° | 60.1° |
| N | C4 | C5 | H41C | 120.6° | 120.0° |
| N | C4 | C5 | H42C | 120.6° | 120.0° |
| N | C4 | C5 | C11 | 69.1° | 90.0° |
| N | C4 | C5 | C6 | 108.9° | 90.2° |
| N | C4 | H41C | H42C | 118.3° | 120.0° |
| C4 | C5 | C11 | C6 | 178.0° | 179.8° |
| C4 | C5 | C11 | C10 | 177.4° | 180.0° |
| C4 | C5 | C6 | C7 | 177.0° | 179.8° |
| C5 | C4 | N | H | 75.6° | 0.0° |
| C5 | C4 | H41C | H42C | 118.3° | 119.9° |
| C4 | C5 | C11 | H11 | 2.6° | 0.1° |
| C4 | C5 | C6 | H6 | 3.0° | 0.0° |
| C5 | C11 | C10 | H11 | 180.0° | 179.9° |
| C5 | C11 | C10 | C8 | 0.2° | 0.0° |
| C11 | C5 | C6 | C7 | 1.0° | 0.5° |
| C11 | C5 | C4 | H41C | 170.3° | 30.0° |
| C11 | C5 | C4 | H42C | 51.5° | 150.0° |
| C11 | C5 | C6 | H6 | 178.9° | 179.8° |
| C5 | C11 | C10 | H10 | 179.8° | 179.9° |
| C6 | C5 | C11 | C10 | 0.6° | 0.3° |
| C5 | C6 | C7 | C8 | 0.6° | 0.4° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H41C | 11.7° | 149.7° |
| C6 | C5 | C4 | H42C | 130.6° | 29.8° |
| C6 | C5 | C11 | H11 | 179.3° | 179.8° |
| C5 | C6 | C7 | H7 | 179.4° | 179.7° |
| C11 | C10 | C8 | H10 | 180.0° | 179.9° |
| C11 | C10 | C8 | C9 | 178.5° | 180.0° |
| C11 | C10 | C8 | C7 | 0.7° | 0.0° |
| C10 | C8 | C9 | C7 | 179.2° | 179.9° |
| C10 | C8 | C9 | N2 | 166.8° | 180.0° |
| C10 | C8 | C9 | N1 | 13.7° | 0.0° |
| C10 | C8 | C7 | C6 | 0.3° | 0.2° |
| C8 | C10 | C11 | H11 | 179.8° | 179.9° |
| C10 | C8 | C7 | H7 | 179.7° | 179.9° |
| C8 | C9 | N2 | N1 | 179.5° | 180.0° |
| C9 | C8 | C7 | C6 | 178.9° | 179.8° |
| C9 | C8 | C10 | H10 | 1.5° | 0.1° |
| C9 | C8 | C7 | H7 | 1.1° | 0.1° |
| C8 | C9 | N2 | H21N | 179.5° | 0.0° |
| C8 | C9 | N2 | H22N | 0.5° | 180.0° |
| C8 | C9 | N1 | H1 | 179.5° | 180.0° |
| C7 | C8 | C9 | N2 | 12.3° | 0.0° |
| C7 | C8 | C9 | N1 | 167.1° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 179.4° | 179.8° |
| C7 | C8 | C10 | H10 | 179.3° | 180.0° |
| C9 | N2 | H21N | H22N | 180.0° | 180.0° |
| N2 | C9 | N1 | H1 | 0.0° | 0.0° |
| N1 | C9 | N2 | H21N | 0.0° | 180.0° |
| N1 | C9 | N2 | H22N | 180.0° | 0.0° |
| H4 | N4 | C14 | H14 | 165.1° | 155.0° |
| H28 | C28 | C27 | H27 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H27 | C27 | C26 | H26 | 0.3° | 0.0° |
| H26 | C26 | C25 | H25 | 0.3° | 0.1° |
| H14 | C14 | C15 | H151 | 171.6° | 65.4° |
| H14 | C14 | C15 | H152 | 53.2° | 174.6° |
| H21 | C21 | C20 | H20 | 0.6° | 0.1° |
| H17 | C17 | C18 | H18 | 0.3° | 0.2° |
| H20 | C20 | C19 | H19 | 0.3° | 0.0° |
| H19 | C19 | C18 | H18 | 0.4° | 0.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H2 | C2 | C1 | H11C | 60.4° | 175.0° |
| H2 | C2 | C1 | H12C | 179.4° | 65.0° |
| H11C | C1 | C | HC1 | 59.5° | 60.0° |
| H11C | C1 | C | HC2 | 179.5° | 180.0° |
| H11C | C1 | C | HC3 | 60.5° | 60.0° |
| H12C | C1 | C | HC1 | 59.5° | 60.1° |
| H12C | C1 | C | HC2 | 60.5° | 60.0° |
| H12C | C1 | C | HC3 | 179.5° | 180.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
| H | N | C4 | H41C | 45.0° | 120.0° |
| H | N | C4 | H42C | 163.8° | 120.0° |
| H11 | C11 | C10 | H10 | 0.2° | 0.0° |
| H6 | C6 | C7 | H7 | 0.6° | 0.1° |
