PRD_002071
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F35 | C32 | sing | 1.35Å | 1.35Å | |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C27 | sing | 1.48Å | 1.51Å | |
| C27 | N26 | sing | 1.34Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| N26 | N25 | doub | 1.29Å | 1.41Å | Aromatic |
| N25 | N24 | sing | 1.29Å | 1.41Å | Aromatic |
| C28 | N24 | sing | 1.35Å | 1.33Å | Aromatic |
| N24 | C22 | sing | 1.46Å | 1.49Å | |
| C22 | C21 | sing | 1.54Å | 1.51Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C21 | N9 | sing | 1.47Å | 1.48Å | |
| C23 | C8 | sing | 1.55Å | 1.53Å | |
| C8 | C6 | sing | 1.51Å | 1.52Å | |
| C8 | N9 | sing | 1.48Å | 1.47Å | |
| C6 | N5 | sing | 1.35Å | 1.33Å | |
| C6 | O7 | doub | 1.21Å | 1.25Å | |
| N5 | C4 | sing | 1.47Å | 1.47Å | |
| N5 | C1 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| N9 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | O11 | doub | 1.21Å | 1.25Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F35 | C32 | C31 | 119.2° | 119.9° |
| F35 | C32 | C33 | 120.7° | 119.9° |
| C31 | C32 | C33 | 120.1° | 120.2° |
| C32 | C31 | C30 | 119.7° | 120.1° |
| C32 | C31 | H31 | 120.2° | 119.9° |
| C32 | C33 | C34 | 120.0° | 120.1° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C31 | C30 | C29 | 120.8° | 120.0° |
| C30 | C31 | H31 | 120.2° | 120.0° |
| C31 | C30 | H30 | 119.6° | 120.0° |
| C30 | C29 | C34 | 119.3° | 119.8° |
| C30 | C29 | C27 | 119.6° | 120.2° |
| C29 | C30 | H30 | 119.6° | 120.0° |
| C33 | C34 | C29 | 120.1° | 119.9° |
| C34 | C33 | H33 | 120.0° | 119.9° |
| C33 | C34 | H34 | 120.0° | 120.1° |
| C34 | C29 | C27 | 121.1° | 120.0° |
| C29 | C34 | H34 | 119.9° | 120.1° |
| C29 | C27 | N26 | 117.2° | 126.9° |
| C29 | C27 | C28 | 131.9° | 126.9° |
| N26 | C27 | C28 | 110.9° | 106.2° |
| C27 | N26 | N25 | 107.3° | 108.8° |
| C27 | C28 | N24 | 105.9° | 106.0° |
| C27 | C28 | H28 | 127.1° | 127.0° |
| N26 | N25 | N24 | 104.5° | 110.5° |
| N25 | N24 | C28 | 111.3° | 108.5° |
| N25 | N24 | C22 | 116.1° | 125.8° |
| C28 | N24 | C22 | 132.5° | 125.8° |
| N24 | C28 | H28 | 127.0° | 127.0° |
| N24 | C22 | C21 | 105.2° | 110.8° |
| N24 | C22 | C23 | 114.7° | 110.7° |
| N24 | C22 | H22 | 110.4° | 110.7° |
| C21 | C22 | C23 | 106.2° | 102.9° |
| C22 | C21 | N9 | 101.7° | 107.3° |
| C21 | C22 | H22 | 110.1° | 110.7° |
| C22 | C21 | H211 | 111.4° | 109.9° |
| C22 | C21 | H212 | 111.4° | 109.8° |
| C22 | C23 | C8 | 103.5° | 101.6° |
| C23 | C22 | H22 | 109.9° | 110.8° |
| C22 | C23 | H231 | 110.9° | 111.0° |
| C22 | C23 | H232 | 110.9° | 111.0° |
| C21 | N9 | C8 | 112.1° | 108.7° |
| C21 | N9 | C10 | 125.8° | 125.7° |
| N9 | C21 | H211 | 111.4° | 109.9° |
| N9 | C21 | H212 | 111.4° | 109.9° |
| C23 | C8 | C6 | 112.4° | 110.4° |
| C23 | C8 | N9 | 105.2° | 104.8° |
| C8 | C23 | H231 | 111.0° | 111.0° |
| C8 | C23 | H232 | 111.0° | 111.0° |
| C23 | C8 | H8 | 109.3° | 110.4° |
| C6 | C8 | N9 | 110.5° | 110.3° |
| C8 | C6 | N5 | 117.9° | 120.0° |
| C8 | C6 | O7 | 120.7° | 120.0° |
| C6 | C8 | H8 | 109.3° | 110.3° |
| C8 | N9 | C10 | 122.1° | 125.6° |
| N9 | C8 | H8 | 110.0° | 110.5° |
| N5 | C6 | O7 | 121.4° | 120.0° |
| C6 | N5 | C4 | 120.0° | 125.6° |
| C6 | N5 | C1 | 124.6° | 125.7° |
| C4 | N5 | C1 | 115.4° | 108.7° |
| N5 | C4 | C3 | 102.8° | 107.2° |
| N5 | C4 | H41C | 111.1° | 109.9° |
| N5 | C4 | H42C | 111.1° | 109.9° |
| N5 | C1 | C2 | 98.7° | 104.7° |
| N5 | C1 | H11C | 112.1° | 110.4° |
| N5 | C1 | H12C | 112.1° | 110.4° |
| C4 | C3 | C2 | 103.1° | 102.9° |
| C3 | C4 | H41C | 111.1° | 109.9° |
| C3 | C4 | H42C | 111.1° | 109.9° |
| C4 | C3 | H31C | 111.0° | 110.7° |
| C4 | C3 | H32C | 111.0° | 110.7° |
| C3 | C2 | C1 | 105.3° | 101.5° |
| C2 | C3 | H31C | 111.1° | 110.7° |
| C2 | C3 | H32C | 111.1° | 110.8° |
| C3 | C2 | H21C | 110.5° | 111.0° |
| C3 | C2 | H22C | 110.5° | 111.0° |
| C2 | C1 | H11C | 112.1° | 110.5° |
| C2 | C1 | H12C | 112.1° | 110.3° |
| C1 | C2 | H21C | 110.5° | 111.2° |
| C1 | C2 | H22C | 110.5° | 110.9° |
| N9 | C10 | O11 | 122.3° | 120.0° |
| N9 | C10 | C12 | 116.7° | 120.0° |
| O11 | C10 | C12 | 121.1° | 120.0° |
| C10 | C12 | C13 | 112.8° | 109.5° |
| C10 | C12 | H121 | 108.6° | 109.5° |
| C10 | C12 | H122 | 108.6° | 109.5° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.4° |
| C13 | C12 | H122 | 108.7° | 109.5° |
| C12 | C13 | H131 | 108.2° | 109.4° |
| C12 | C13 | H132 | 108.2° | 109.4° |
| C13 | C14 | C15 | 112.6° | 109.4° |
| C14 | C13 | H131 | 108.1° | 109.5° |
| C14 | C13 | H132 | 108.1° | 109.5° |
| C13 | C14 | H141 | 108.7° | 109.5° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| C14 | C15 | C20 | 120.5° | 120.0° |
| C14 | C15 | C16 | 118.7° | 120.0° |
| C15 | C14 | H141 | 108.7° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.5° |
| C20 | C15 | C16 | 120.8° | 120.0° |
| C15 | C20 | C19 | 120.4° | 120.0° |
| C15 | C20 | H20 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.6° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C16 | H16 | 120.2° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| H211 | C21 | H212 | 109.5° | 110.0° |
| H231 | C23 | H232 | 109.4° | 110.9° |
| H41C | C4 | H42C | 109.5° | 110.0° |
| H11C | C1 | H12C | 109.5° | 110.4° |
| H31C | C3 | H32C | 109.5° | 110.8° |
| H21C | C2 | H22C | 109.5° | 110.9° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F35 | C32 | C31 | C33 | 179.9° | 179.7° |
| F35 | C32 | C31 | C30 | 179.9° | 180.0° |
| F35 | C32 | C33 | C34 | 179.9° | 180.0° |
| F35 | C32 | C31 | H31 | 0.0° | 0.1° |
| F35 | C32 | C33 | H33 | 0.1° | 0.1° |
| C32 | C31 | C30 | H31 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.5° | 0.1° |
| C31 | C32 | C33 | C34 | 0.2° | 0.3° |
| C31 | C32 | C33 | H33 | 179.8° | 179.8° |
| C32 | C31 | C30 | H30 | 179.5° | 179.9° |
| C33 | C32 | C31 | C30 | 0.1° | 0.3° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C29 | 0.3° | 0.0° |
| C33 | C32 | C31 | H31 | 179.9° | 179.8° |
| C32 | C33 | C34 | H34 | 179.7° | 180.0° |
| C31 | C30 | C29 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 1.0° | 0.3° |
| C31 | C30 | C29 | C27 | 179.7° | 180.0° |
| C30 | C29 | C34 | C33 | 0.9° | 0.3° |
| C30 | C29 | C34 | C27 | 178.7° | 179.7° |
| C30 | C29 | C27 | N26 | 154.7° | 0.0° |
| C30 | C29 | C27 | C28 | 24.1° | 179.7° |
| C29 | C30 | C31 | H31 | 179.5° | 179.9° |
| C30 | C29 | C34 | H34 | 179.1° | 179.7° |
| C33 | C34 | C29 | H34 | 180.0° | 180.0° |
| C33 | C34 | C29 | C27 | 179.6° | 180.0° |
| C34 | C29 | C27 | N26 | 26.6° | 179.7° |
| C34 | C29 | C27 | C28 | 154.5° | 0.0° |
| C29 | C34 | C33 | H33 | 179.7° | 179.9° |
| C34 | C29 | C30 | H30 | 179.0° | 179.8° |
| C29 | C27 | N26 | C28 | 179.1° | 179.8° |
| C29 | C27 | N26 | N25 | 179.1° | 180.0° |
| C29 | C27 | C28 | N24 | 178.2° | 179.9° |
| C27 | C29 | C30 | H30 | 0.3° | 0.0° |
| C27 | C29 | C34 | H34 | 0.4° | 0.0° |
| C29 | C27 | C28 | H28 | 1.8° | 0.0° |
| C27 | N26 | N25 | N24 | 0.1° | 0.0° |
| N26 | C27 | C28 | N24 | 2.9° | 0.3° |
| N26 | C27 | C28 | H28 | 177.1° | 179.8° |
| C28 | C27 | N26 | N25 | 1.9° | 0.2° |
| C27 | C28 | N24 | N25 | 2.8° | 0.4° |
| C27 | C28 | N24 | H28 | 180.0° | 179.9° |
| C27 | C28 | N24 | C22 | 179.0° | 179.8° |
| N26 | N25 | N24 | C28 | 1.7° | 0.2° |
| N26 | N25 | N24 | C22 | 178.6° | 179.9° |
| N25 | N24 | C28 | C22 | 176.2° | 179.8° |
| N25 | N24 | C22 | C21 | 115.6° | 146.4° |
| N25 | N24 | C22 | C23 | 128.1° | 100.0° |
| N25 | N24 | C28 | H28 | 177.2° | 179.8° |
| N25 | N24 | C22 | H22 | 3.2° | 23.2° |
| C28 | N24 | C22 | C21 | 60.4° | 33.8° |
| C28 | N24 | C22 | C23 | 55.9° | 79.8° |
| C28 | N24 | C22 | H22 | 179.3° | 157.0° |
| N24 | C22 | C21 | C23 | 122.0° | 118.4° |
| N24 | C22 | C21 | H22 | 119.0° | 123.2° |
| N24 | C22 | C23 | H22 | 125.1° | 123.2° |
| N24 | C22 | C21 | N9 | 154.5° | 140.5° |
| N24 | C22 | C23 | C8 | 148.2° | 153.9° |
| C22 | N24 | C28 | H28 | 1.0° | 0.0° |
| N24 | C22 | C21 | H211 | 35.8° | 21.1° |
| N24 | C22 | C21 | H212 | 86.8° | 100.0° |
| N24 | C22 | C23 | H231 | 92.7° | 88.0° |
| N24 | C22 | C23 | H232 | 29.1° | 35.9° |
| C21 | C22 | C23 | H22 | 119.1° | 118.4° |
| C22 | C21 | N9 | H211 | 118.7° | 119.4° |
| C22 | C21 | N9 | H212 | 118.7° | 119.4° |
| C21 | C22 | C23 | C8 | 32.5° | 35.5° |
| C22 | C21 | N9 | C8 | 21.0° | 1.1° |
| C22 | C21 | N9 | C10 | 158.1° | 178.9° |
| C22 | C21 | H211 | H212 | 123.6° | 121.0° |
| C21 | C22 | C23 | H231 | 151.5° | 153.6° |
| C21 | C22 | C23 | H232 | 86.6° | 82.5° |
| C23 | C22 | C21 | N9 | 32.5° | 22.2° |
| C22 | C23 | C8 | H231 | 119.0° | 118.1° |
| C22 | C23 | C8 | H232 | 119.0° | 118.1° |
| C22 | C23 | C8 | C6 | 139.2° | 155.8° |
| C22 | C23 | C8 | N9 | 18.9° | 37.0° |
| C23 | C22 | C21 | H211 | 86.2° | 97.3° |
| C23 | C22 | C21 | H212 | 151.3° | 141.6° |
| C22 | C23 | H231 | H232 | 122.7° | 123.9° |
| C22 | C23 | C8 | H8 | 99.2° | 82.0° |
| C21 | N9 | C8 | C23 | 1.3° | 24.1° |
| C21 | N9 | C8 | C6 | 120.3° | 143.0° |
| C21 | N9 | C8 | C10 | 179.2° | 180.0° |
| C21 | N9 | C10 | O11 | 179.5° | 180.0° |
| C21 | N9 | C10 | C12 | 0.7° | 0.0° |
| N9 | C21 | C22 | H22 | 86.5° | 96.3° |
| N9 | C21 | H211 | H212 | 123.6° | 121.1° |
| C21 | N9 | C8 | H8 | 118.9° | 94.8° |
| C23 | C8 | C6 | N9 | 117.3° | 115.4° |
| C23 | C8 | C6 | H8 | 121.5° | 122.3° |
| C23 | C8 | N9 | H8 | 117.6° | 118.9° |
| C23 | C8 | C6 | N5 | 89.3° | 80.0° |
| C23 | C8 | C6 | O7 | 90.5° | 100.0° |
| C23 | C8 | N9 | C10 | 177.8° | 155.9° |
| C8 | C23 | C22 | H22 | 86.7° | 82.9° |
| C8 | C23 | H231 | H232 | 122.8° | 123.9° |
| C6 | C8 | N9 | H8 | 120.8° | 122.2° |
| C8 | C6 | N5 | O7 | 179.8° | 180.0° |
| C8 | C6 | N5 | C4 | 179.1° | 180.0° |
| C8 | C6 | N5 | C1 | 1.8° | 0.3° |
| C6 | C8 | N9 | C10 | 60.6° | 37.0° |
| C6 | C8 | C23 | H231 | 101.7° | 86.1° |
| C6 | C8 | C23 | H232 | 20.2° | 37.8° |
| N9 | C8 | C6 | N5 | 153.4° | 164.6° |
| N9 | C8 | C6 | O7 | 26.7° | 15.4° |
| C8 | N9 | C10 | O11 | 0.5° | 0.0° |
| C8 | N9 | C10 | C12 | 179.8° | 180.0° |
| C8 | N9 | C21 | H211 | 97.7° | 120.5° |
| C8 | N9 | C21 | H212 | 139.8° | 118.3° |
| N9 | C8 | C23 | H231 | 137.9° | 155.1° |
| N9 | C8 | C23 | H232 | 100.2° | 81.1° |
| C6 | N5 | C4 | C1 | 179.2° | 179.8° |
| C6 | N5 | C4 | C3 | 177.8° | 179.0° |
| C6 | N5 | C1 | C2 | 159.1° | 155.8° |
| N5 | C6 | C8 | H8 | 32.2° | 42.3° |
| C6 | N5 | C4 | H41C | 63.3° | 59.6° |
| C6 | N5 | C4 | H42C | 58.9° | 61.6° |
| C6 | N5 | C1 | H11C | 82.7° | 85.3° |
| C6 | N5 | C1 | H12C | 40.9° | 37.1° |
| O7 | C6 | N5 | C4 | 1.1° | 0.0° |
| O7 | C6 | N5 | C1 | 178.0° | 179.7° |
| O7 | C6 | C8 | H8 | 148.0° | 137.7° |
| N5 | C4 | C3 | H41C | 118.9° | 119.4° |
| N5 | C4 | C3 | H42C | 118.9° | 119.4° |
| N5 | C4 | C3 | C2 | 24.8° | 22.2° |
| C4 | N5 | C1 | C2 | 20.0° | 24.4° |
| N5 | C4 | H41C | H42C | 123.1° | 121.1° |
| C4 | N5 | C1 | H11C | 98.2° | 94.5° |
| C4 | N5 | C1 | H12C | 138.2° | 143.2° |
| N5 | C4 | C3 | H31C | 143.8° | 140.5° |
| N5 | C4 | C3 | H32C | 94.1° | 96.2° |
| C1 | N5 | C4 | C3 | 3.0° | 1.3° |
| N5 | C1 | C2 | C3 | 34.8° | 37.3° |
| N5 | C1 | C2 | H11C | 118.2° | 118.8° |
| N5 | C1 | C2 | H12C | 118.2° | 118.7° |
| C1 | N5 | C4 | H41C | 115.9° | 120.6° |
| C1 | N5 | C4 | H42C | 122.0° | 118.1° |
| N5 | C1 | H11C | H12C | 125.0° | 122.3° |
| N5 | C1 | C2 | H21C | 84.6° | 80.8° |
| N5 | C1 | C2 | H22C | 154.1° | 155.3° |
| C4 | C3 | C2 | H31C | 119.0° | 118.3° |
| C4 | C3 | C2 | H32C | 119.0° | 118.3° |
| C4 | C3 | C2 | C1 | 38.5° | 35.7° |
| C3 | C4 | H41C | H42C | 123.1° | 121.1° |
| C4 | C3 | H31C | H32C | 123.0° | 123.2° |
| C4 | C3 | C2 | H21C | 80.8° | 82.6° |
| C4 | C3 | C2 | H22C | 157.9° | 153.6° |
| C3 | C2 | C1 | H21C | 119.3° | 118.1° |
| C3 | C2 | C1 | H22C | 119.3° | 118.0° |
| C2 | C3 | C4 | H41C | 94.1° | 97.2° |
| C2 | C3 | C4 | H42C | 143.7° | 141.6° |
| C3 | C2 | C1 | H11C | 83.5° | 81.5° |
| C3 | C2 | C1 | H12C | 153.0° | 156.0° |
| C2 | C3 | H31C | H32C | 123.0° | 123.3° |
| C3 | C2 | H21C | H22C | 121.9° | 123.9° |
| C2 | C1 | H11C | H12C | 125.0° | 122.4° |
| C1 | C2 | C3 | H31C | 157.5° | 154.0° |
| C1 | C2 | C3 | H32C | 80.4° | 82.6° |
| C1 | C2 | H21C | H22C | 121.9° | 123.9° |
| N9 | C10 | O11 | C12 | 179.7° | 180.0° |
| N9 | C10 | C12 | C13 | 175.1° | 180.0° |
| C10 | N9 | C21 | H211 | 83.2° | 59.5° |
| C10 | N9 | C21 | H212 | 39.3° | 61.7° |
| C10 | N9 | C8 | H8 | 60.2° | 85.2° |
| N9 | C10 | C12 | H121 | 54.6° | 60.0° |
| N9 | C10 | C12 | H122 | 64.4° | 59.9° |
| O11 | C10 | C12 | C13 | 4.6° | 0.0° |
| O11 | C10 | C12 | H121 | 125.1° | 120.0° |
| O11 | C10 | C12 | H122 | 115.9° | 120.1° |
| C10 | C12 | C13 | H121 | 120.5° | 120.0° |
| C10 | C12 | C13 | H122 | 120.5° | 120.1° |
| C10 | C12 | C13 | C14 | 160.8° | 180.0° |
| C10 | C12 | H121 | H122 | 118.5° | 120.0° |
| C10 | C12 | C13 | H131 | 40.0° | 60.0° |
| C10 | C12 | C13 | H132 | 78.5° | 60.0° |
| C12 | C13 | C14 | H131 | 120.8° | 120.0° |
| C12 | C13 | C14 | H132 | 120.8° | 120.0° |
| C12 | C13 | C14 | C15 | 63.7° | 180.0° |
| C13 | C12 | H121 | H122 | 118.5° | 120.0° |
| C12 | C13 | H131 | H132 | 117.7° | 120.0° |
| C12 | C13 | C14 | H141 | 175.8° | 60.0° |
| C12 | C13 | C14 | H142 | 56.8° | 60.0° |
| C13 | C14 | C15 | H141 | 120.5° | 120.0° |
| C13 | C14 | C15 | H142 | 120.5° | 120.0° |
| C13 | C14 | C15 | C20 | 54.2° | 90.0° |
| C13 | C14 | C15 | C16 | 127.4° | 90.3° |
| C14 | C13 | C12 | H121 | 78.7° | 60.0° |
| C14 | C13 | C12 | H122 | 40.3° | 59.9° |
| C14 | C13 | H131 | H132 | 117.6° | 120.0° |
| C13 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C15 | C20 | C16 | 178.4° | 179.7° |
| C14 | C15 | C20 | C19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C15 | C14 | C13 | H131 | 57.1° | 60.0° |
| C15 | C14 | C13 | H132 | 175.6° | 60.0° |
| C15 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C15 | C20 | H20 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 0.5° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C15 | C16 | C17 | 2.0° | 0.3° |
| C20 | C15 | C14 | H141 | 66.3° | 30.0° |
| C20 | C15 | C14 | H142 | 174.7° | 150.0° |
| C20 | C15 | C16 | H16 | 177.9° | 179.7° |
| C15 | C20 | C19 | H19 | 179.5° | 179.9° |
| C16 | C15 | C20 | C19 | 1.5° | 0.3° |
| C15 | C16 | C17 | C18 | 1.5° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | H141 | 112.1° | 149.8° |
| C16 | C15 | C14 | H142 | 6.9° | 29.7° |
| C16 | C15 | C20 | H20 | 178.5° | 179.8° |
| C15 | C16 | C17 | H17 | 178.5° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.2° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.4° | 0.2° |
| C18 | C19 | C20 | H20 | 179.5° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 178.5° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.8° |
| C16 | C17 | C18 | H18 | 179.5° | 180.0° |
| H31 | C31 | C30 | H30 | 0.5° | 0.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.1° |
| H22 | C22 | C21 | H211 | 154.8° | 144.3° |
| H22 | C22 | C21 | H212 | 32.3° | 23.1° |
| H22 | C22 | C23 | H231 | 32.4° | 35.2° |
| H22 | C22 | C23 | H232 | 154.3° | 159.1° |
| H231 | C23 | C8 | H8 | 19.8° | 36.1° |
| H232 | C23 | C8 | H8 | 141.7° | 160.0° |
| H41C | C4 | C3 | H31C | 24.9° | 21.1° |
| H41C | C4 | C3 | H32C | 147.0° | 144.4° |
| H42C | C4 | C3 | H31C | 97.3° | 100.1° |
| H42C | C4 | C3 | H32C | 24.8° | 23.2° |
| H11C | C1 | C2 | H21C | 157.2° | 160.3° |
| H11C | C1 | C2 | H22C | 35.9° | 36.4° |
| H12C | C1 | C2 | H21C | 33.7° | 37.9° |
| H12C | C1 | C2 | H22C | 87.7° | 86.0° |
| H31C | C3 | C2 | H21C | 38.2° | 35.7° |
| H31C | C3 | C2 | H22C | 83.2° | 88.1° |
| H32C | C3 | C2 | H21C | 160.2° | 159.1° |
| H32C | C3 | C2 | H22C | 38.9° | 35.3° |
| H121 | C12 | C13 | H131 | 160.5° | 60.1° |
| H121 | C12 | C13 | H132 | 42.0° | 179.9° |
| H122 | C12 | C13 | H131 | 80.5° | 180.0° |
| H122 | C12 | C13 | H132 | 161.0° | 60.0° |
| H131 | C13 | C14 | H141 | 63.4° | 180.0° |
| H131 | C13 | C14 | H142 | 177.6° | 60.0° |
| H132 | C13 | C14 | H141 | 55.1° | 60.0° |
| H132 | C13 | C14 | H142 | 64.0° | 180.0° |
| H20 | C20 | C19 | H19 | 0.5° | 0.1° |
| H16 | C16 | C17 | H17 | 1.5° | 0.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H18 | C18 | C17 | H17 | 0.4° | 0.0° |
