4UA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C15 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C5 | C8 | sing | 1.51Å | 1.49Å | |
| C25 | C31 | sing | 1.51Å | 1.46Å | |
| C28 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.39Å | |
| C23 | S20 | sing | 1.76Å | 1.79Å | |
| C10 | N12 | sing | 1.35Å | 1.38Å | |
| C10 | N9 | sing | 1.35Å | 1.37Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| C17 | N12 | sing | 1.47Å | 1.45Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C30 | O29 | sing | 1.43Å | 1.43Å | |
| C8 | N9 | sing | 1.47Å | 1.45Å | |
| C18 | N19 | sing | 1.46Å | 1.48Å | |
| N19 | S20 | sing | 1.66Å | 1.72Å | |
| O21 | S20 | doub | 1.42Å | 1.44Å | |
| O22 | S20 | doub | 1.42Å | 1.45Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 119.4° | 120.0° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C36 | C35 | H35 | 120.3° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C34 | C33 | C32 | 121.8° | 120.0° |
| C33 | C34 | H34 | 120.0° | 120.0° |
| C34 | C33 | H33 | 119.1° | 120.0° |
| C36 | C37 | C32 | 121.6° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 119.2° | 120.0° |
| C33 | C32 | C37 | 117.2° | 120.0° |
| C33 | C32 | C15 | 121.3° | 120.0° |
| C32 | C33 | H33 | 119.1° | 120.0° |
| C37 | C32 | C15 | 121.5° | 120.0° |
| C32 | C37 | H37 | 119.2° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C2 | C7 | 119.5° | 120.0° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C7 | C2 | C1 | 120.0° | 120.0° |
| C2 | C7 | H7 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | C8 | 119.1° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C6 | C5 | C8 | 121.4° | 120.0° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C27 | C26 | C25 | 119.1° | 120.1° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.4° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.1° |
| C26 | C25 | C24 | 122.0° | 120.1° |
| C26 | C25 | C31 | 120.7° | 119.9° |
| C25 | C26 | H26 | 120.5° | 119.9° |
| C27 | C28 | C23 | 119.7° | 119.9° |
| C27 | C28 | O29 | 118.8° | 120.1° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C25 | C24 | C23 | 118.8° | 120.1° |
| C24 | C25 | C31 | 117.2° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C23 | C28 | 120.4° | 119.9° |
| C24 | C23 | S20 | 113.1° | 120.0° |
| C23 | C24 | H24 | 120.6° | 119.9° |
| C32 | C15 | C14 | 110.9° | 109.5° |
| C32 | C15 | C16 | 110.7° | 109.5° |
| C32 | C15 | C18 | 106.7° | 109.4° |
| C2 | C1 | H11C | 109.5° | 109.4° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| C5 | C8 | N9 | 114.1° | 109.5° |
| C5 | C8 | H81C | 108.3° | 109.5° |
| C5 | C8 | H82C | 108.3° | 109.5° |
| C25 | C31 | H311 | 109.5° | 109.5° |
| C25 | C31 | H312 | 109.5° | 109.4° |
| C25 | C31 | H313 | 109.5° | 109.5° |
| C23 | C28 | O29 | 121.5° | 120.0° |
| C28 | C23 | S20 | 126.5° | 120.1° |
| C28 | O29 | C30 | 108.8° | 117.0° |
| C23 | S20 | N19 | 102.3° | 107.2° |
| C23 | S20 | O21 | 108.1° | 106.4° |
| C23 | S20 | O22 | 105.0° | 106.4° |
| N12 | C10 | N9 | 114.9° | 120.0° |
| N12 | C10 | O11 | 123.1° | 120.0° |
| C10 | N12 | C13 | 121.5° | 120.6° |
| C10 | N12 | C17 | 116.4° | 120.7° |
| N9 | C10 | O11 | 122.0° | 120.0° |
| C10 | N9 | C8 | 121.6° | 120.0° |
| C10 | N9 | H9 | 119.2° | 120.0° |
| C13 | C14 | C15 | 115.4° | 109.3° |
| C14 | C13 | N12 | 114.6° | 108.7° |
| C13 | C14 | H141 | 108.0° | 109.5° |
| C13 | C14 | H142 | 108.0° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.6° |
| C14 | C13 | H132 | 108.2° | 109.6° |
| C14 | C15 | C16 | 110.7° | 109.5° |
| C14 | C15 | C18 | 108.4° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| C15 | C14 | H142 | 108.0° | 109.5° |
| C17 | C16 | C15 | 113.2° | 109.3° |
| C16 | C17 | N12 | 110.4° | 108.8° |
| C17 | C16 | H161 | 108.5° | 109.5° |
| C17 | C16 | H162 | 108.5° | 109.5° |
| C16 | C17 | H171 | 109.2° | 109.6° |
| C16 | C17 | H172 | 109.2° | 109.6° |
| C16 | C15 | C18 | 109.2° | 109.4° |
| C15 | C16 | H161 | 108.5° | 109.5° |
| C15 | C16 | H162 | 108.5° | 109.5° |
| C13 | N12 | C17 | 117.5° | 118.8° |
| N12 | C13 | H131 | 108.1° | 109.6° |
| N12 | C13 | H132 | 108.2° | 109.6° |
| N12 | C17 | H171 | 109.2° | 109.5° |
| N12 | C17 | H172 | 109.2° | 109.6° |
| C15 | C18 | N19 | 109.9° | 109.5° |
| C15 | C18 | H181 | 109.4° | 109.5° |
| C15 | C18 | H182 | 109.4° | 109.5° |
| O29 | C30 | H301 | 109.5° | 109.5° |
| O29 | C30 | H302 | 109.4° | 109.5° |
| O29 | C30 | H303 | 109.5° | 109.4° |
| N9 | C8 | H81C | 108.3° | 109.5° |
| N9 | C8 | H82C | 108.3° | 109.4° |
| C8 | N9 | H9 | 119.2° | 120.0° |
| C18 | N19 | S20 | 120.8° | 120.0° |
| N19 | C18 | H181 | 109.4° | 109.5° |
| N19 | C18 | H182 | 109.4° | 109.5° |
| C18 | N19 | H19 | 106.6° | 120.0° |
| N19 | S20 | O21 | 112.7° | 106.4° |
| N19 | S20 | O22 | 106.9° | 106.4° |
| S20 | N19 | H19 | 106.5° | 120.0° |
| O21 | S20 | O22 | 120.2° | 123.2° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.4° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.7° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.7° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H35 | 180.0° | 179.6° |
| C35 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C33 | C32 | 0.5° | 0.1° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C34 | C33 | H33 | 179.5° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C32 | 0.3° | 0.0° |
| C36 | C35 | C34 | H34 | 180.0° | 180.0° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | C37 | 0.9° | 0.0° |
| C34 | C33 | C32 | C15 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 180.0° | 179.7° |
| C36 | C37 | C32 | C33 | 0.8° | 0.0° |
| C36 | C37 | C32 | H37 | 180.0° | 180.0° |
| C36 | C37 | C32 | C15 | 179.9° | 180.0° |
| C37 | C36 | C35 | H35 | 179.9° | 179.7° |
| C33 | C32 | C37 | C15 | 179.1° | 180.0° |
| C33 | C32 | C15 | C14 | 55.6° | 175.3° |
| C33 | C32 | C15 | C16 | 179.0° | 55.2° |
| C33 | C32 | C15 | C18 | 62.3° | 64.8° |
| C32 | C33 | C34 | H34 | 179.5° | 180.0° |
| C33 | C32 | C37 | H37 | 179.2° | 180.0° |
| C37 | C32 | C15 | C14 | 125.4° | 4.8° |
| C37 | C32 | C15 | C16 | 2.0° | 124.8° |
| C37 | C32 | C15 | C18 | 116.7° | 115.2° |
| C32 | C37 | C36 | H36 | 179.7° | 180.0° |
| C37 | C32 | C33 | H33 | 179.1° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 1.0° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | C1 | 179.7° | 179.9° |
| C3 | C4 | C5 | C8 | 179.7° | 180.0° |
| C3 | C2 | C7 | C6 | 0.9° | 0.2° |
| C3 | C2 | C7 | C1 | 179.3° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H4 | 179.7° | 179.9° |
| C3 | C2 | C7 | H7 | 179.1° | 180.0° |
| C3 | C2 | C1 | H11C | 89.6° | 90.1° |
| C3 | C2 | C1 | H12C | 150.3° | 150.0° |
| C3 | C2 | C1 | H13C | 30.4° | 29.9° |
| C6 | C7 | C2 | H7 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.6° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 179.8° | 180.0° |
| C7 | C6 | C5 | C8 | 179.6° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | C2 | C3 | H3 | 179.0° | 179.6° |
| C2 | C7 | C6 | H6 | 179.9° | 179.9° |
| C7 | C2 | C1 | H11C | 89.6° | 90.1° |
| C7 | C2 | C1 | H12C | 30.4° | 29.8° |
| C7 | C2 | C1 | H13C | 150.4° | 149.9° |
| C4 | C5 | C6 | C8 | 179.7° | 180.0° |
| C4 | C5 | C8 | N9 | 174.9° | 90.0° |
| C5 | C4 | C3 | H3 | 179.7° | 179.7° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C4 | C5 | C8 | H81C | 64.5° | 150.0° |
| C4 | C5 | C8 | H82C | 54.2° | 30.0° |
| C6 | C5 | C8 | N9 | 5.4° | 90.0° |
| C6 | C5 | C4 | H4 | 179.5° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C8 | H81C | 115.3° | 30.0° |
| C6 | C5 | C8 | H82C | 126.1° | 150.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.1° |
| C27 | C26 | C25 | C31 | 179.5° | 180.0° |
| C26 | C27 | C28 | C23 | 0.5° | 0.0° |
| C26 | C27 | C28 | O29 | 179.2° | 179.9° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C26 | C25 | C24 | C31 | 179.6° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C26 | C25 | C24 | H24 | 179.8° | 180.0° |
| C26 | C25 | C31 | H311 | 90.2° | 90.1° |
| C26 | C25 | C31 | H312 | 149.8° | 150.0° |
| C26 | C25 | C31 | H313 | 29.8° | 30.0° |
| C27 | C28 | C23 | C24 | 0.3° | 0.0° |
| C27 | C28 | C23 | O29 | 178.7° | 179.9° |
| C27 | C28 | C23 | S20 | 179.0° | 180.0° |
| C27 | C28 | O29 | C30 | 36.8° | 0.0° |
| C28 | C27 | C26 | H26 | 179.6° | 179.7° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.1° | 0.0° |
| C25 | C24 | C23 | S20 | 179.4° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 179.7° |
| C24 | C25 | C31 | H311 | 90.2° | 90.0° |
| C24 | C25 | C31 | H312 | 29.8° | 30.0° |
| C24 | C25 | C31 | H313 | 149.8° | 150.0° |
| C23 | C24 | C25 | C31 | 179.8° | 179.9° |
| C24 | C23 | C28 | S20 | 179.3° | 180.0° |
| C24 | C23 | C28 | O29 | 179.0° | 179.9° |
| C24 | C23 | S20 | N19 | 59.9° | 115.0° |
| C24 | C23 | S20 | O21 | 179.0° | 131.5° |
| C24 | C23 | S20 | O22 | 51.5° | 1.4° |
| C32 | C15 | C14 | C13 | 143.3° | 178.6° |
| C32 | C15 | C14 | C16 | 123.4° | 120.0° |
| C32 | C15 | C14 | C18 | 116.9° | 120.0° |
| C32 | C15 | C16 | C17 | 90.6° | 178.6° |
| C32 | C15 | C16 | C18 | 117.2° | 119.9° |
| C32 | C15 | C18 | N19 | 90.9° | 62.9° |
| C15 | C32 | C33 | H33 | 0.0° | 0.0° |
| C15 | C32 | C37 | H37 | 0.1° | 0.0° |
| C32 | C15 | C14 | H141 | 95.8° | 58.7° |
| C32 | C15 | C14 | H142 | 22.4° | 61.4° |
| C32 | C15 | C16 | H161 | 29.9° | 61.4° |
| C32 | C15 | C16 | H162 | 148.8° | 58.7° |
| C32 | C15 | C18 | H181 | 149.1° | 57.1° |
| C32 | C15 | C18 | H182 | 29.2° | 177.1° |
| C1 | C2 | C3 | H3 | 0.3° | 0.2° |
| C1 | C2 | C7 | H7 | 0.2° | 0.2° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 119.9° | 120.1° |
| C5 | C8 | N9 | C10 | 104.7° | 180.0° |
| C5 | C8 | N9 | H81C | 120.7° | 120.1° |
| C5 | C8 | N9 | H82C | 120.7° | 120.0° |
| C8 | C5 | C4 | H4 | 0.3° | 0.0° |
| C8 | C5 | C6 | H6 | 0.4° | 0.0° |
| C5 | C8 | H81C | H82C | 117.9° | 120.1° |
| C5 | C8 | N9 | H9 | 75.3° | 0.0° |
| C31 | C25 | C26 | H26 | 0.5° | 0.2° |
| C31 | C25 | C24 | H24 | 0.2° | 0.1° |
| C25 | C31 | H311 | H312 | 120.0° | 120.0° |
| C25 | C31 | H311 | H313 | 120.0° | 120.1° |
| C25 | C31 | H312 | H313 | 120.0° | 120.0° |
| C23 | C28 | O29 | C30 | 144.5° | 179.9° |
| C28 | C23 | S20 | N19 | 120.8° | 65.0° |
| C28 | C23 | S20 | O21 | 1.7° | 48.5° |
| C28 | C23 | S20 | O22 | 127.8° | 178.6° |
| C23 | C28 | C27 | H27 | 179.5° | 180.0° |
| C28 | C23 | C24 | H24 | 180.0° | 180.0° |
| O29 | C28 | C23 | S20 | 0.3° | 0.1° |
| O29 | C28 | C27 | H27 | 0.8° | 0.1° |
| C28 | O29 | C30 | H301 | 180.0° | 60.0° |
| C28 | O29 | C30 | H302 | 60.0° | 60.0° |
| C28 | O29 | C30 | H303 | 60.0° | 179.9° |
| C23 | S20 | N19 | C18 | 98.9° | 65.0° |
| C23 | S20 | N19 | O21 | 115.8° | 113.5° |
| C23 | S20 | N19 | O22 | 110.1° | 113.5° |
| C23 | S20 | O21 | O22 | 120.4° | 122.9° |
| S20 | C23 | C24 | H24 | 0.6° | 0.0° |
| C23 | S20 | N19 | H19 | 22.7° | 115.0° |
| N12 | C10 | N9 | O11 | 178.0° | 180.0° |
| C10 | N12 | C13 | C14 | 173.0° | 126.3° |
| C10 | N12 | C17 | C16 | 121.4° | 126.3° |
| C10 | N12 | C13 | C17 | 155.2° | 179.9° |
| N12 | C10 | N9 | C8 | 175.6° | 175.2° |
| N12 | C10 | N9 | H9 | 4.4° | 4.8° |
| C10 | N12 | C13 | H131 | 66.2° | 6.6° |
| C10 | N12 | C13 | H132 | 52.2° | 113.9° |
| C10 | N12 | C17 | H171 | 1.2° | 113.9° |
| C10 | N12 | C17 | H172 | 118.5° | 6.5° |
| N9 | C10 | N12 | C13 | 61.3° | 175.3° |
| N9 | C10 | N12 | C17 | 143.3° | 4.6° |
| C10 | N9 | C8 | H9 | 180.0° | 180.0° |
| C10 | N9 | C8 | H81C | 15.9° | 59.9° |
| C10 | N9 | C8 | H82C | 134.6° | 60.0° |
| O11 | C10 | N12 | C13 | 120.7° | 4.8° |
| O11 | C10 | N12 | C17 | 34.7° | 175.4° |
| O11 | C10 | N9 | C8 | 2.4° | 4.8° |
| O11 | C10 | N9 | H9 | 177.6° | 175.2° |
| C13 | C14 | C15 | H141 | 120.9° | 119.9° |
| C13 | C14 | C15 | H142 | 120.9° | 120.0° |
| C13 | C14 | C15 | C16 | 19.9° | 61.4° |
| C14 | C13 | N12 | H131 | 120.8° | 119.8° |
| C14 | C13 | N12 | H132 | 120.7° | 119.8° |
| C14 | C13 | N12 | C17 | 17.8° | 53.6° |
| C13 | C14 | C15 | C18 | 99.8° | 58.6° |
| C13 | C14 | H141 | H142 | 117.3° | 120.1° |
| C14 | C13 | H131 | H132 | 117.7° | 120.4° |
| C14 | C15 | C16 | C17 | 32.9° | 61.4° |
| C14 | C15 | C16 | C18 | 119.3° | 120.0° |
| C15 | C14 | C13 | N12 | 47.5° | 54.6° |
| C14 | C15 | C18 | N19 | 149.6° | 57.1° |
| C15 | C14 | H141 | H142 | 117.3° | 120.1° |
| C15 | C14 | C13 | H131 | 168.3° | 174.4° |
| C15 | C14 | C13 | H132 | 73.2° | 65.1° |
| C14 | C15 | C16 | H161 | 153.4° | 58.6° |
| C14 | C15 | C16 | H162 | 87.7° | 178.7° |
| C14 | C15 | C18 | H181 | 29.5° | 177.1° |
| C14 | C15 | C18 | H182 | 90.3° | 62.9° |
| C17 | C16 | C15 | H161 | 120.5° | 120.0° |
| C17 | C16 | C15 | H162 | 120.6° | 119.9° |
| C16 | C17 | N12 | C13 | 35.1° | 53.6° |
| C16 | C17 | N12 | H171 | 120.1° | 119.8° |
| C16 | C17 | N12 | H172 | 120.2° | 119.9° |
| C17 | C16 | C15 | C18 | 152.2° | 58.6° |
| C17 | C16 | H161 | H162 | 118.3° | 120.1° |
| C16 | C17 | H171 | H172 | 119.6° | 120.4° |
| C15 | C16 | C17 | N12 | 62.8° | 54.6° |
| C16 | C15 | C18 | N19 | 28.9° | 177.1° |
| C16 | C15 | C14 | H141 | 140.8° | 178.7° |
| C16 | C15 | C14 | H142 | 100.9° | 58.6° |
| C15 | C16 | H161 | H162 | 118.3° | 120.1° |
| C15 | C16 | C17 | H171 | 177.0° | 65.1° |
| C15 | C16 | C17 | H172 | 57.3° | 174.4° |
| C16 | C15 | C18 | H181 | 91.2° | 62.9° |
| C16 | C15 | C18 | H182 | 148.9° | 57.1° |
| N12 | C13 | C14 | H141 | 168.4° | 174.6° |
| N12 | C13 | C14 | H142 | 73.3° | 65.4° |
| N12 | C13 | H131 | H132 | 117.6° | 120.4° |
| C13 | N12 | C17 | H171 | 155.2° | 66.2° |
| C13 | N12 | C17 | H172 | 85.1° | 173.4° |
| C17 | N12 | C13 | H131 | 138.6° | 173.3° |
| C17 | N12 | C13 | H132 | 102.9° | 66.2° |
| N12 | C17 | C16 | H161 | 176.6° | 65.4° |
| N12 | C17 | C16 | H162 | 57.7° | 174.6° |
| N12 | C17 | H171 | H172 | 119.6° | 120.3° |
| C15 | C18 | N19 | H181 | 120.0° | 120.0° |
| C15 | C18 | N19 | H182 | 120.0° | 120.0° |
| C15 | C18 | N19 | S20 | 130.9° | 163.3° |
| C18 | C15 | C14 | H141 | 21.0° | 61.3° |
| C18 | C15 | C14 | H142 | 139.3° | 178.6° |
| C18 | C15 | C16 | H161 | 87.3° | 178.6° |
| C18 | C15 | C16 | H162 | 31.6° | 61.3° |
| C15 | C18 | H181 | H182 | 119.8° | 120.0° |
| C15 | C18 | N19 | H19 | 9.4° | 16.6° |
| O29 | C30 | H301 | H302 | 120.0° | 120.0° |
| O29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H303 | 120.0° | 119.9° |
| N9 | C8 | H81C | H82C | 117.9° | 119.9° |
| C18 | N19 | S20 | H19 | 121.6° | 180.0° |
| C18 | N19 | S20 | O21 | 16.8° | 48.5° |
| C18 | N19 | S20 | O22 | 151.0° | 178.5° |
| N19 | C18 | H181 | H182 | 119.9° | 120.0° |
| N19 | S20 | O21 | O22 | 127.4° | 123.0° |
| S20 | N19 | C18 | H181 | 109.0° | 43.4° |
| S20 | N19 | C18 | H182 | 10.9° | 76.6° |
| O21 | S20 | N19 | H19 | 138.4° | 131.4° |
| O22 | S20 | N19 | H19 | 87.4° | 1.5° |
| H35 | C35 | C34 | H34 | 0.0° | 0.4° |
| H35 | C35 | C36 | H36 | 0.1° | 0.3° |
| H34 | C34 | C33 | H33 | 0.5° | 0.1° |
| H36 | C36 | C37 | H37 | 0.3° | 0.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.3° |
| H7 | C7 | C6 | H6 | 0.1° | 0.1° |
| H26 | C26 | C27 | H27 | 0.4° | 0.3° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H81C | C8 | N9 | H9 | 164.1° | 120.0° |
| H82C | C8 | N9 | H9 | 45.4° | 120.1° |
| H311 | C31 | H312 | H313 | 119.9° | 120.0° |
| H141 | C14 | C13 | H131 | 70.8° | 65.6° |
| H141 | C14 | C13 | H132 | 47.7° | 54.8° |
| H142 | C14 | C13 | H131 | 47.4° | 54.4° |
| H142 | C14 | C13 | H132 | 165.9° | 174.9° |
| H161 | C16 | C17 | H171 | 56.5° | 174.9° |
| H161 | C16 | C17 | H172 | 63.2° | 54.5° |
| H162 | C16 | C17 | H171 | 62.4° | 54.8° |
| H162 | C16 | C17 | H172 | 177.9° | 65.6° |
| H181 | C18 | N19 | H19 | 129.4° | 136.6° |
| H182 | C18 | N19 | H19 | 110.7° | 103.4° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
