C80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | C16 | sing | 1.35Å | 1.31Å | Aromatic |
| N8 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.47Å | 1.41Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | O18 | doub | 1.22Å | 1.24Å | |
| C17 | O19 | sing | 1.35Å | 1.25Å | |
| O19 | C20 | sing | 1.45Å | 1.41Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.46Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | N25 | sing | 1.47Å | 1.44Å | |
| C24 | C26 | sing | 1.53Å | 1.47Å | |
| N25 | H251 | sing | 1.01Å | 1.00Å | |
| N25 | H252 | sing | 1.01Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | O27 | sing | 1.43Å | 1.42Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C29 | C31 | sing | 1.51Å | 1.51Å | |
| C29 | H29 | 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 | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | N33 | sing | 1.35Å | 1.32Å | |
| N33 | C34 | sing | 1.46Å | 1.43Å | |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.57Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C1 | C2 | 119.9° | 120.0° |
| H1 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | 121.4° | 120.0° |
| C1 | C6 | C5 | 118.4° | 120.0° |
| C1 | C6 | C7 | 121.5° | 120.0° |
| H2 | C2 | C3 | 119.3° | 120.0° |
| C2 | C3 | H3 | 120.8° | 120.0° |
| C2 | C3 | C4 | 118.5° | 120.0° |
| H3 | C3 | C4 | 120.7° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| H4 | C4 | C5 | 120.0° | 120.0° |
| C4 | C5 | H5 | 119.2° | 120.0° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| H5 | C5 | C6 | 119.3° | 120.1° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C7 | H7C1 | 107.0° | 109.5° |
| C6 | C7 | H7C2 | 105.3° | 109.5° |
| C6 | C7 | N8 | 117.0° | 109.5° |
| H7C1 | C7 | H7C2 | 115.6° | 109.5° |
| H7C1 | C7 | N8 | 107.0° | 109.4° |
| H7C2 | C7 | N8 | 105.3° | 109.5° |
| C7 | N8 | C16 | 125.4° | 124.8° |
| C7 | N8 | C9 | 123.9° | 124.8° |
| C16 | N8 | C9 | 110.7° | 110.4° |
| N8 | C16 | H16 | 128.1° | 125.1° |
| N8 | C16 | C15 | 103.8° | 109.8° |
| N8 | C9 | C14 | 110.5° | 107.5° |
| N8 | C9 | C10 | 129.5° | 133.1° |
| H16 | C16 | C15 | 128.1° | 125.1° |
| C16 | C15 | C14 | 115.0° | 106.4° |
| C16 | C15 | C17 | 130.8° | 126.8° |
| C14 | C9 | C10 | 120.0° | 119.4° |
| C9 | C14 | C13 | 121.6° | 120.1° |
| C9 | C14 | C15 | 99.9° | 105.8° |
| C9 | C10 | H10 | 120.7° | 120.0° |
| C9 | C10 | C11 | 118.5° | 119.9° |
| H13 | C13 | C14 | 121.1° | 120.2° |
| H13 | C13 | C12 | 121.1° | 120.1° |
| C14 | C13 | C12 | 117.8° | 119.7° |
| C13 | C14 | C15 | 138.6° | 134.0° |
| C13 | C12 | C11 | 121.4° | 120.3° |
| C13 | C12 | H12 | 119.3° | 119.9° |
| C14 | C15 | C17 | 114.1° | 126.7° |
| C15 | C17 | O18 | 117.6° | 120.0° |
| C15 | C17 | O19 | 124.5° | 119.9° |
| H10 | C10 | C11 | 120.8° | 120.1° |
| C10 | C11 | H11 | 119.6° | 119.6° |
| C10 | C11 | C12 | 120.7° | 120.7° |
| H11 | C11 | C12 | 119.6° | 119.7° |
| C11 | C12 | H12 | 119.3° | 119.8° |
| O18 | C17 | O19 | 117.8° | 120.0° |
| C17 | O19 | C20 | 114.0° | 117.0° |
| O19 | C20 | H201 | 110.5° | 109.5° |
| O19 | C20 | H202 | 111.2° | 109.4° |
| O19 | C20 | C21 | 106.4° | 109.4° |
| H201 | C20 | H202 | 107.1° | 109.5° |
| H201 | C20 | C21 | 110.5° | 109.5° |
| H202 | C20 | C21 | 111.2° | 109.5° |
| C20 | C21 | H21 | 121.0° | 109.5° |
| C20 | C21 | C22 | 98.2° | 109.5° |
| C20 | C21 | C23 | 105.2° | 109.4° |
| H21 | C21 | C22 | 111.9° | 109.5° |
| H21 | C21 | C23 | 105.6° | 109.4° |
| C22 | C21 | C23 | 115.2° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C23 | H231 | 105.7° | 109.5° |
| C21 | C23 | H232 | 103.0° | 109.4° |
| C21 | C23 | C24 | 121.3° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 119.3° | 109.5° |
| H231 | C23 | C24 | 105.7° | 109.5° |
| H232 | C23 | C24 | 102.9° | 109.5° |
| C23 | C24 | H24 | 103.2° | 109.4° |
| C23 | C24 | N25 | 112.5° | 109.5° |
| C23 | C24 | C26 | 113.0° | 109.5° |
| H24 | C24 | N25 | 112.8° | 109.5° |
| H24 | C24 | C26 | 112.3° | 109.5° |
| N25 | C24 | C26 | 103.4° | 109.5° |
| C24 | N25 | H251 | 109.5° | 111.0° |
| C24 | N25 | H252 | 109.4° | 111.0° |
| C24 | C26 | H26 | 134.9° | 109.5° |
| C24 | C26 | O27 | 107.0° | 109.5° |
| C24 | C26 | C28 | 124.8° | 109.5° |
| H251 | N25 | H252 | 109.5° | 111.0° |
| H26 | C26 | O27 | 117.7° | 109.5° |
| H26 | C26 | C28 | 12.1° | 109.4° |
| O27 | C26 | C28 | 128.2° | 109.5° |
| C26 | O27 | H27 | 109.5° | 114.0° |
| C26 | C28 | H281 | 105.6° | 109.4° |
| C26 | C28 | H282 | 102.7° | 109.4° |
| C26 | C28 | C29 | 121.8° | 109.5° |
| H281 | C28 | H282 | 119.7° | 109.5° |
| H281 | C28 | C29 | 105.5° | 109.5° |
| H282 | C28 | C29 | 102.7° | 109.5° |
| C28 | C29 | C30 | 110.4° | 109.5° |
| C28 | C29 | C31 | 103.4° | 109.5° |
| C28 | C29 | H29 | 112.8° | 109.5° |
| C30 | C29 | C31 | 109.3° | 109.4° |
| C30 | C29 | H29 | 107.2° | 109.4° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.4° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.4° |
| C31 | C29 | H29 | 113.8° | 109.5° |
| C29 | C31 | O32 | 119.7° | 119.9° |
| C29 | C31 | N33 | 122.5° | 120.0° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| O32 | C31 | N33 | 117.4° | 120.0° |
| C31 | N33 | C34 | 121.4° | 120.0° |
| C31 | N33 | H33 | 119.3° | 120.0° |
| C34 | N33 | H33 | 119.3° | 120.0° |
| N33 | C34 | C35 | 108.1° | 109.5° |
| N33 | C34 | H341 | 109.9° | 109.5° |
| N33 | C34 | H342 | 110.2° | 109.4° |
| C35 | C34 | H341 | 109.9° | 109.5° |
| C35 | C34 | H342 | 110.3° | 109.5° |
| C34 | C35 | C36 | 109.1° | 109.5° |
| C34 | C35 | H351 | 109.6° | 109.5° |
| C34 | C35 | H352 | 109.7° | 109.5° |
| H341 | C34 | H342 | 108.4° | 109.4° |
| C36 | C35 | H351 | 109.6° | 109.4° |
| C36 | C35 | H352 | 109.6° | 109.4° |
| C35 | C36 | C37 | 113.5° | 109.5° |
| C35 | C36 | H361 | 108.2° | 109.4° |
| C35 | C36 | H362 | 107.2° | 109.4° |
| H351 | C35 | H352 | 109.2° | 109.5° |
| C37 | C36 | H361 | 108.1° | 109.5° |
| C37 | C36 | H362 | 107.3° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.5° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H373 | 109.4° | 109.5° |
| H361 | C36 | H362 | 112.7° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.4° |
| H372 | C37 | H373 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C1 | C2 | C6 | 180.0° | 179.7° |
| H1 | C1 | C2 | H2 | 0.2° | 0.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C6 | C5 | 179.6° | 179.6° |
| H1 | C1 | C6 | C7 | 2.9° | 0.0° |
| C1 | C2 | H2 | C3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.6° |
| C2 | C1 | C6 | C7 | 177.1° | 179.7° |
| C6 | C1 | C2 | H2 | 179.8° | 179.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C1 | C6 | C5 | C4 | 0.3° | 0.6° |
| C1 | C6 | C5 | H5 | 179.7° | 179.7° |
| C1 | C6 | C5 | C7 | 177.5° | 179.6° |
| C1 | C6 | C7 | H7C1 | 175.5° | 150.0° |
| C1 | C6 | C7 | H7C2 | 52.0° | 30.0° |
| C1 | C6 | C7 | N8 | 64.5° | 90.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | C3 | H3 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C4 | H4 | C5 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.7° |
| C4 | C5 | H5 | C6 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 177.1° | 179.7° |
| H5 | C5 | C6 | C7 | 2.9° | 0.0° |
| C5 | C6 | C7 | H7C1 | 1.9° | 30.3° |
| C5 | C6 | C7 | H7C2 | 125.4° | 150.4° |
| C5 | C6 | C7 | N8 | 118.1° | 89.6° |
| C6 | C7 | H7C1 | H7C2 | 116.9° | 120.0° |
| C6 | C7 | H7C1 | N8 | 126.2° | 120.0° |
| C6 | C7 | H7C2 | N8 | 124.3° | 120.0° |
| C6 | C7 | N8 | C16 | 45.0° | 95.0° |
| C6 | C7 | N8 | C9 | 137.6° | 84.7° |
| H7C1 | C7 | H7C2 | N8 | 117.9° | 120.0° |
| H7C1 | C7 | N8 | C16 | 75.0° | 145.0° |
| H7C1 | C7 | N8 | C9 | 102.4° | 35.3° |
| H7C2 | C7 | N8 | C16 | 161.5° | 25.1° |
| H7C2 | C7 | N8 | C9 | 21.1° | 155.3° |
| C7 | N8 | C16 | C9 | 177.7° | 179.7° |
| C7 | N8 | C16 | H16 | 5.2° | 0.1° |
| C7 | N8 | C16 | C15 | 174.8° | 180.0° |
| C7 | N8 | C9 | C14 | 174.5° | 180.0° |
| C7 | N8 | C9 | C10 | 3.9° | 0.1° |
| N8 | C16 | H16 | C15 | 180.0° | 179.9° |
| C16 | N8 | C9 | C14 | 3.2° | 0.3° |
| C16 | N8 | C9 | C10 | 178.4° | 179.8° |
| N8 | C16 | C15 | C14 | 1.7° | 0.2° |
| N8 | C16 | C15 | C17 | 176.1° | 180.0° |
| C9 | N8 | C16 | H16 | 177.1° | 179.8° |
| C9 | N8 | C16 | C15 | 2.9° | 0.3° |
| N8 | C9 | C14 | C10 | 178.6° | 180.0° |
| N8 | C9 | C14 | C13 | 178.7° | 180.0° |
| N8 | C9 | C14 | C15 | 1.9° | 0.1° |
| N8 | C9 | C10 | H10 | 1.9° | 0.1° |
| N8 | C9 | C10 | C11 | 178.2° | 180.0° |
| H16 | C16 | C15 | C14 | 178.3° | 179.9° |
| H16 | C16 | C15 | C17 | 3.9° | 0.0° |
| C16 | C15 | C14 | C9 | 0.2° | 0.0° |
| C16 | C15 | C14 | C13 | 179.3° | 179.9° |
| C16 | C15 | C14 | C17 | 178.2° | 179.8° |
| C16 | C15 | C17 | O18 | 126.8° | 180.0° |
| C16 | C15 | C17 | O19 | 55.9° | 0.0° |
| C9 | C14 | C13 | H13 | 179.7° | 180.0° |
| C9 | C14 | C13 | C15 | 179.1° | 179.9° |
| C9 | C14 | C13 | C12 | 0.3° | 0.0° |
| C9 | C14 | C15 | C17 | 178.3° | 179.8° |
| C14 | C9 | C10 | H10 | 179.9° | 180.0° |
| C14 | C9 | C10 | C11 | 0.1° | 0.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.0° |
| C10 | C9 | C14 | C15 | 179.5° | 179.9° |
| C9 | C10 | H10 | C11 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| H13 | C13 | C14 | C12 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 0.6° | 0.2° |
| H13 | C13 | C12 | C11 | 179.7° | 179.9° |
| H13 | C13 | C12 | H12 | 0.3° | 0.0° |
| C13 | C14 | C15 | C17 | 2.5° | 0.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 179.3° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C14 | C15 | C17 | O18 | 51.0° | 0.2° |
| C14 | C15 | C17 | O19 | 126.3° | 179.8° |
| C15 | C17 | O18 | O19 | 177.5° | 179.9° |
| C15 | C17 | O19 | C20 | 66.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H10 | C10 | C11 | C12 | 179.9° | 179.9° |
| C10 | C11 | H11 | C12 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| O18 | C17 | O19 | C20 | 115.8° | 0.1° |
| C17 | O19 | C20 | H201 | 147.2° | 60.0° |
| C17 | O19 | C20 | H202 | 28.4° | 60.1° |
| C17 | O19 | C20 | C21 | 92.8° | 179.9° |
| O19 | C20 | H201 | H202 | 121.2° | 120.0° |
| O19 | C20 | H201 | C21 | 117.5° | 120.0° |
| O19 | C20 | H202 | C21 | 118.3° | 119.9° |
| O19 | C20 | C21 | H21 | 14.6° | 55.0° |
| O19 | C20 | C21 | C22 | 107.1° | 65.0° |
| O19 | C20 | C21 | C23 | 133.8° | 175.0° |
| H201 | C20 | H202 | C21 | 120.9° | 120.0° |
| H201 | C20 | C21 | H21 | 134.6° | 175.0° |
| H201 | C20 | C21 | C22 | 12.9° | 54.9° |
| H201 | C20 | C21 | C23 | 106.2° | 65.0° |
| H202 | C20 | C21 | H21 | 106.6° | 64.9° |
| H202 | C20 | C21 | C22 | 131.7° | 175.0° |
| H202 | C20 | C21 | C23 | 12.7° | 55.0° |
| C20 | C21 | H21 | C22 | 114.8° | 120.1° |
| C20 | C21 | H21 | C23 | 119.1° | 119.9° |
| C20 | C21 | C22 | C23 | 111.2° | 120.0° |
| C20 | C21 | C22 | H221 | 166.2° | 59.9° |
| C20 | C21 | C22 | H222 | 46.2° | 180.0° |
| C20 | C21 | C22 | H223 | 73.8° | 60.0° |
| C20 | C21 | C23 | H231 | 60.6° | 65.0° |
| C20 | C21 | C23 | H232 | 65.3° | 55.0° |
| C20 | C21 | C23 | C24 | 179.4° | 175.0° |
| H21 | C21 | C22 | C23 | 120.7° | 120.0° |
| H21 | C21 | C22 | H221 | 38.0° | 180.0° |
| H21 | C21 | C22 | H222 | 82.0° | 60.0° |
| H21 | C21 | C22 | H223 | 158.0° | 60.1° |
| H21 | C21 | C23 | H231 | 170.4° | 175.0° |
| H21 | C21 | C23 | H232 | 63.7° | 65.0° |
| H21 | C21 | C23 | C24 | 50.4° | 55.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 119.9° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H231 | 46.3° | 55.0° |
| C22 | C21 | C23 | H232 | 172.2° | 175.0° |
| C22 | C21 | C23 | C24 | 73.6° | 65.0° |
| C23 | C21 | C22 | H221 | 82.6° | 60.1° |
| C23 | C21 | C22 | H222 | 157.4° | 60.0° |
| C23 | C21 | C22 | H223 | 37.3° | 180.0° |
| C21 | C23 | H231 | H232 | 115.1° | 120.0° |
| C21 | C23 | H231 | C24 | 129.7° | 120.0° |
| C21 | C23 | H232 | C24 | 126.8° | 120.0° |
| C21 | C23 | C24 | H24 | 61.2° | 55.0° |
| C21 | C23 | C24 | N25 | 177.0° | 65.0° |
| C21 | C23 | C24 | C26 | 60.4° | 175.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H231 | C23 | H232 | C24 | 116.6° | 120.0° |
| H231 | C23 | C24 | H24 | 178.9° | 65.0° |
| H231 | C23 | C24 | N25 | 57.0° | 175.0° |
| H231 | C23 | C24 | C26 | 59.6° | 55.0° |
| H232 | C23 | C24 | H24 | 53.0° | 174.9° |
| H232 | C23 | C24 | N25 | 68.9° | 55.0° |
| H232 | C23 | C24 | C26 | 174.5° | 65.1° |
| C23 | C24 | H24 | N25 | 121.6° | 120.0° |
| C23 | C24 | H24 | C26 | 122.0° | 120.0° |
| C23 | C24 | N25 | C26 | 122.2° | 120.0° |
| C23 | C24 | N25 | H251 | 92.9° | 60.0° |
| C23 | C24 | N25 | H252 | 27.1° | 64.0° |
| C23 | C24 | C26 | H26 | 128.6° | 60.0° |
| C23 | C24 | C26 | O27 | 58.9° | 60.0° |
| C23 | C24 | C26 | C28 | 119.9° | 180.0° |
| H24 | C24 | N25 | C26 | 121.6° | 120.0° |
| H24 | C24 | N25 | H251 | 150.8° | 180.0° |
| H24 | C24 | N25 | H252 | 89.1° | 56.0° |
| H24 | C24 | C26 | H26 | 12.4° | 180.0° |
| H24 | C24 | C26 | O27 | 175.1° | 60.0° |
| H24 | C24 | C26 | C28 | 3.7° | 60.0° |
| C24 | N25 | H251 | H252 | 120.0° | 124.0° |
| N25 | C24 | C26 | H26 | 109.5° | 60.0° |
| N25 | C24 | C26 | O27 | 63.0° | 180.0° |
| N25 | C24 | C26 | C28 | 118.3° | 60.0° |
| C26 | C24 | N25 | H251 | 29.3° | 60.0° |
| C26 | C24 | N25 | H252 | 149.3° | 176.0° |
| C24 | C26 | H26 | O27 | 171.9° | 120.0° |
| C24 | C26 | H26 | C28 | 36.5° | 120.0° |
| C24 | C26 | O27 | C28 | 178.7° | 120.0° |
| C24 | C26 | O27 | H27 | 175.8° | 60.0° |
| C24 | C26 | C28 | H281 | 13.3° | 55.0° |
| C24 | C26 | C28 | H282 | 112.9° | 65.0° |
| C24 | C26 | C28 | C29 | 133.3° | 175.0° |
| H26 | C26 | O27 | C28 | 7.3° | 119.9° |
| H26 | C26 | O27 | H27 | 1.8° | 180.0° |
| H26 | C26 | C28 | H281 | 135.9° | 65.1° |
| H26 | C26 | C28 | H282 | 98.0° | 175.0° |
| H26 | C26 | C28 | C29 | 15.9° | 55.0° |
| O27 | C26 | C28 | H281 | 168.3° | 175.0° |
| O27 | C26 | C28 | H282 | 65.6° | 55.0° |
| O27 | C26 | C28 | C29 | 48.3° | 65.0° |
| C28 | C26 | O27 | H27 | 5.5° | 60.0° |
| C26 | C28 | H281 | H282 | 114.9° | 119.9° |
| C26 | C28 | H281 | C29 | 130.2° | 120.0° |
| C26 | C28 | H282 | C29 | 127.2° | 120.0° |
| C26 | C28 | C29 | C30 | 63.6° | 65.0° |
| C26 | C28 | C29 | C31 | 179.6° | 175.0° |
| C26 | C28 | C29 | H29 | 56.2° | 54.9° |
| H281 | C28 | H282 | C29 | 116.4° | 120.1° |
| H281 | C28 | C29 | C30 | 56.4° | 55.0° |
| H281 | C28 | C29 | C31 | 60.4° | 65.0° |
| H281 | C28 | C29 | H29 | 176.3° | 174.9° |
| H282 | C28 | C29 | C30 | 177.4° | 175.0° |
| H282 | C28 | C29 | C31 | 65.8° | 55.0° |
| H282 | C28 | C29 | H29 | 57.6° | 65.0° |
| C28 | C29 | C30 | C31 | 113.1° | 120.0° |
| C28 | C29 | C30 | H29 | 123.2° | 120.0° |
| C28 | C29 | C31 | H29 | 122.7° | 120.1° |
| C28 | C29 | C30 | H301 | 135.3° | 180.0° |
| C28 | C29 | C30 | H302 | 15.3° | 60.0° |
| C28 | C29 | C30 | H303 | 104.7° | 60.0° |
| C28 | C29 | C31 | O32 | 83.2° | 0.0° |
| C28 | C29 | C31 | N33 | 89.7° | 180.0° |
| C30 | C29 | C31 | H29 | 119.7° | 119.9° |
| C29 | C30 | H301 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 119.9° |
| C30 | C29 | C31 | O32 | 34.4° | 120.0° |
| C30 | C29 | C31 | N33 | 152.7° | 60.0° |
| C31 | C29 | C30 | H301 | 111.6° | 60.0° |
| C31 | C29 | C30 | H302 | 128.4° | 180.0° |
| C31 | C29 | C30 | H303 | 8.4° | 60.0° |
| C29 | C31 | O32 | N33 | 173.2° | 180.0° |
| C29 | C31 | N33 | C34 | 81.1° | 180.0° |
| C29 | C31 | N33 | H33 | 98.9° | 0.0° |
| H29 | C29 | C30 | H301 | 12.2° | 60.0° |
| H29 | C29 | C30 | H302 | 107.8° | 60.0° |
| H29 | C29 | C30 | H303 | 132.2° | 180.0° |
| H29 | C29 | C31 | O32 | 154.2° | 120.1° |
| H29 | C29 | C31 | N33 | 33.0° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.1° |
| O32 | C31 | N33 | C34 | 105.9° | 0.0° |
| O32 | C31 | N33 | H33 | 74.1° | 180.0° |
| C31 | N33 | C34 | H33 | 180.0° | 180.0° |
| C31 | N33 | C34 | C35 | 153.4° | 180.0° |
| C31 | N33 | C34 | H341 | 86.6° | 59.9° |
| C31 | N33 | C34 | H342 | 32.8° | 60.0° |
| N33 | C34 | C35 | H341 | 120.0° | 120.1° |
| N33 | C34 | C35 | H342 | 120.5° | 120.0° |
| N33 | C34 | H341 | H342 | 120.6° | 119.9° |
| N33 | C34 | C35 | C36 | 70.7° | 180.0° |
| N33 | C34 | C35 | H351 | 169.4° | 60.0° |
| N33 | C34 | C35 | H352 | 49.5° | 60.0° |
| H33 | N33 | C34 | C35 | 26.6° | 0.0° |
| H33 | N33 | C34 | H341 | 93.4° | 120.0° |
| H33 | N33 | C34 | H342 | 147.2° | 120.1° |
| C35 | C34 | H341 | H342 | 120.6° | 120.0° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 120.2° | 120.0° |
| C34 | C35 | H351 | H352 | 120.2° | 120.0° |
| C34 | C35 | C36 | C37 | 75.3° | 180.0° |
| C34 | C35 | C36 | H361 | 164.7° | 60.0° |
| C34 | C35 | C36 | H362 | 42.9° | 60.0° |
| H341 | C34 | C35 | C36 | 49.3° | 59.9° |
| H341 | C34 | C35 | H351 | 70.7° | 179.9° |
| H341 | C34 | C35 | H352 | 169.5° | 60.0° |
| H342 | C34 | C35 | C36 | 168.8° | 60.0° |
| H342 | C34 | C35 | H351 | 48.8° | 60.0° |
| H342 | C34 | C35 | H352 | 71.1° | 180.0° |
| C36 | C35 | H351 | H352 | 120.1° | 120.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.0° |
| C35 | C36 | C37 | H362 | 118.2° | 120.0° |
| C35 | C36 | H361 | H362 | 118.4° | 120.0° |
| C35 | C36 | C37 | H371 | 59.8° | 60.0° |
| C35 | C36 | C37 | H372 | 179.8° | 60.0° |
| C35 | C36 | C37 | H373 | 60.2° | 180.0° |
| H351 | C35 | C36 | C37 | 44.7° | 60.0° |
| H351 | C35 | C36 | H361 | 75.3° | 180.0° |
| H351 | C35 | C36 | H362 | 162.9° | 60.0° |
| H352 | C35 | C36 | C37 | 164.5° | 60.0° |
| H352 | C35 | C36 | H361 | 44.5° | 60.0° |
| H352 | C35 | C36 | H362 | 77.2° | 180.0° |
| C37 | C36 | H361 | H362 | 118.4° | 120.0° |
| C36 | C37 | H371 | H372 | 120.0° | 120.0° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 60.2° | 180.0° |
| H361 | C36 | C37 | H372 | 59.8° | 60.0° |
| H361 | C36 | C37 | H373 | 179.8° | 60.0° |
| H362 | C36 | C37 | H371 | 178.0° | 60.0° |
| H362 | C36 | C37 | H372 | 62.0° | 180.0° |
| H362 | C36 | C37 | H373 | 58.0° | 60.0° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
