C01
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.43Å | Aromatic |
| C1 | C26 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.47Å | Aromatic |
| C2 | O36 | sing | 1.36Å | 1.45Å | |
| C3 | C4 | sing | 1.39Å | 1.46Å | Aromatic |
| C3 | C16 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | O8 | sing | 1.35Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.46Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O8 | N9 | sing | 1.41Å | 1.45Å | Aromatic |
| N9 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| N9 | C11 | sing | 1.46Å | 1.47Å | |
| C10 | O15 | doub | 1.22Å | 1.24Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | 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 | |
| O36 | C37 | sing | 1.43Å | 1.45Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.51Å | 1.57Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C44 | sing | 1.38Å | 1.44Å | Aromatic |
| C39 | O60 | doub | 1.28Å | 1.19Å | |
| C39 | O61 | sing | 1.27Å | 1.34Å | |
| C40 | C41 | sing | 1.38Å | 1.41Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | sing | 1.38Å | 1.44Å | Aromatic |
| C42 | C49 | sing | 1.51Å | 1.53Å | |
| C43 | C44 | doub | 1.38Å | 1.43Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | C54 | sing | 1.53Å | 1.54Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.0° | 120.4° |
| C2 | C1 | C26 | 122.5° | 119.8° |
| C1 | C2 | C3 | 118.9° | 120.5° |
| C1 | C2 | O36 | 119.0° | 119.7° |
| C6 | C1 | C26 | 116.5° | 119.8° |
| C1 | C6 | C5 | 119.9° | 119.9° |
| C1 | C6 | H6 | 120.1° | 120.1° |
| C1 | C26 | C27 | 110.8° | 109.5° |
| C1 | C26 | H261 | 108.7° | 109.5° |
| C1 | C26 | H262 | 109.0° | 109.5° |
| C3 | C2 | O36 | 122.1° | 119.8° |
| C2 | C3 | C4 | 117.1° | 119.8° |
| C2 | C3 | C16 | 123.0° | 120.1° |
| C2 | O36 | C37 | 120.3° | 106.8° |
| C4 | C3 | C16 | 119.9° | 120.1° |
| C3 | C4 | C5 | 121.3° | 119.4° |
| C3 | C4 | O8 | 130.0° | 132.6° |
| C3 | C16 | C17 | 117.0° | 109.5° |
| C3 | C16 | H161 | 105.3° | 109.4° |
| C3 | C16 | H162 | 107.0° | 109.4° |
| C5 | C4 | O8 | 108.7° | 108.1° |
| C4 | C5 | C6 | 121.9° | 120.1° |
| C4 | C5 | C10 | 109.6° | 106.7° |
| C4 | O8 | N9 | 104.1° | 109.7° |
| C6 | C5 | C10 | 128.5° | 133.3° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C5 | C10 | N9 | 104.1° | 106.7° |
| C5 | C10 | O15 | 129.5° | 126.7° |
| O8 | N9 | C10 | 113.4° | 108.8° |
| O8 | N9 | C11 | 125.1° | 125.6° |
| C10 | N9 | C11 | 121.5° | 125.6° |
| N9 | C10 | O15 | 126.4° | 126.7° |
| N9 | C11 | H111 | 109.5° | 109.5° |
| N9 | C11 | H112 | 109.5° | 109.5° |
| N9 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C17 | C16 | H161 | 105.3° | 109.5° |
| C17 | C16 | H162 | 107.1° | 109.5° |
| C16 | C17 | C20 | 111.5° | 109.5° |
| C16 | C17 | H171 | 108.4° | 109.4° |
| C16 | C17 | H172 | 108.8° | 109.5° |
| H161 | C16 | H162 | 115.6° | 109.5° |
| C20 | C17 | H171 | 108.3° | 109.5° |
| C20 | C17 | H172 | 108.8° | 109.5° |
| C17 | C20 | H201 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.4° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| H171 | C17 | H172 | 111.0° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| C27 | C26 | H261 | 108.7° | 109.4° |
| C27 | C26 | H262 | 109.1° | 109.4° |
| C26 | C27 | C30 | 110.9° | 109.5° |
| C26 | C27 | H271 | 108.7° | 109.4° |
| C26 | C27 | H272 | 109.0° | 109.4° |
| H261 | C26 | H262 | 110.5° | 109.5° |
| C30 | C27 | H271 | 108.6° | 109.5° |
| C30 | C27 | H272 | 109.0° | 109.5° |
| C27 | C30 | H301 | 109.5° | 109.5° |
| C27 | C30 | H302 | 109.5° | 109.5° |
| C27 | C30 | H303 | 109.5° | 109.5° |
| H271 | C27 | H272 | 110.6° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| O36 | C37 | C38 | 111.4° | 109.5° |
| O36 | C37 | C39 | 111.3° | 109.5° |
| O36 | C37 | H37 | 107.5° | 109.5° |
| C38 | C37 | C39 | 111.3° | 109.5° |
| C38 | C37 | H37 | 107.5° | 109.5° |
| C37 | C38 | C40 | 117.9° | 120.0° |
| C37 | C38 | C44 | 123.6° | 120.0° |
| C39 | C37 | H37 | 107.6° | 109.5° |
| C37 | C39 | O60 | 125.1° | 120.0° |
| C37 | C39 | O61 | 112.7° | 120.0° |
| C40 | C38 | C44 | 118.5° | 120.0° |
| C38 | C40 | C41 | 121.6° | 120.0° |
| C38 | C40 | H40 | 119.2° | 120.0° |
| C38 | C44 | C43 | 119.6° | 120.0° |
| C38 | C44 | H44 | 120.2° | 120.0° |
| O60 | C39 | O61 | 122.2° | 120.0° |
| C41 | C40 | H40 | 119.2° | 120.0° |
| C40 | C41 | C42 | 121.5° | 120.0° |
| C40 | C41 | H41 | 119.2° | 120.0° |
| C42 | C41 | H41 | 119.2° | 120.0° |
| C41 | C42 | C43 | 117.9° | 120.0° |
| C41 | C42 | C49 | 118.3° | 120.0° |
| C43 | C42 | C49 | 123.8° | 120.0° |
| C42 | C43 | C44 | 120.9° | 120.0° |
| C42 | C43 | H43 | 119.6° | 120.0° |
| C42 | C49 | C50 | 112.0° | 109.5° |
| C42 | C49 | C54 | 111.2° | 109.4° |
| C42 | C49 | H49 | 107.1° | 109.5° |
| C44 | C43 | H43 | 119.6° | 120.0° |
| C43 | C44 | H44 | 120.2° | 120.0° |
| C50 | C49 | C54 | 111.3° | 109.5° |
| C50 | C49 | H49 | 107.0° | 109.5° |
| C49 | C50 | H501 | 109.5° | 109.5° |
| C49 | C50 | H502 | 109.5° | 109.4° |
| C49 | C50 | H503 | 109.5° | 109.4° |
| C54 | C49 | H49 | 107.9° | 109.4° |
| C49 | C54 | H541 | 109.5° | 109.5° |
| C49 | C54 | H542 | 109.4° | 109.5° |
| C49 | C54 | H543 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H502 | C50 | H503 | 109.4° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.5° | 109.4° |
| H542 | C54 | H543 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C26 | 179.1° | 179.7° |
| C1 | C2 | C3 | O36 | 179.3° | 179.4° |
| C1 | C2 | C3 | C4 | 0.2° | 0.6° |
| C1 | C2 | C3 | C16 | 179.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.9° | 0.3° |
| C2 | C1 | C6 | H6 | 179.1° | 179.7° |
| C2 | C1 | C26 | C27 | 121.7° | 93.2° |
| C2 | C1 | C26 | H261 | 2.3° | 26.8° |
| C2 | C1 | C26 | H262 | 118.3° | 146.8° |
| C1 | C2 | O36 | C37 | 108.5° | 117.3° |
| C6 | C1 | C2 | C3 | 0.3° | 0.6° |
| C6 | C1 | C2 | O36 | 179.0° | 180.0° |
| C1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C10 | 179.0° | 180.0° |
| C6 | C1 | C26 | C27 | 59.2° | 86.5° |
| C6 | C1 | C26 | H261 | 178.7° | 153.5° |
| C6 | C1 | C26 | H262 | 60.8° | 33.5° |
| C26 | C1 | C2 | C3 | 179.3° | 179.7° |
| C26 | C1 | C2 | O36 | 0.1° | 0.3° |
| C26 | C1 | C6 | C5 | 180.0° | 180.0° |
| C26 | C1 | C6 | H6 | 0.0° | 0.0° |
| C1 | C26 | C27 | H261 | 119.4° | 120.0° |
| C1 | C26 | C27 | H262 | 120.0° | 120.1° |
| C1 | C26 | H261 | H262 | 119.6° | 120.1° |
| C1 | C26 | C27 | C30 | 178.4° | 175.2° |
| C1 | C26 | C27 | H271 | 59.0° | 55.2° |
| C1 | C26 | C27 | H272 | 61.6° | 64.7° |
| C2 | C3 | C4 | C16 | 179.2° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | O8 | 179.8° | 179.7° |
| C2 | C3 | C16 | C17 | 85.0° | 84.0° |
| C2 | C3 | C16 | H161 | 158.5° | 36.1° |
| C2 | C3 | C16 | H162 | 35.0° | 156.1° |
| C3 | C2 | O36 | C37 | 72.2° | 62.1° |
| O36 | C2 | C3 | C4 | 179.4° | 180.0° |
| O36 | C2 | C3 | C16 | 0.2° | 0.3° |
| C2 | O36 | C37 | C38 | 76.7° | 143.3° |
| C2 | O36 | C37 | C39 | 158.4° | 96.7° |
| C2 | O36 | C37 | H37 | 40.8° | 23.3° |
| C3 | C4 | C5 | O8 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | C10 | 178.9° | 180.0° |
| C3 | C4 | O8 | N9 | 179.5° | 179.9° |
| C4 | C3 | C16 | C17 | 95.8° | 95.8° |
| C4 | C3 | C16 | H161 | 20.7° | 144.2° |
| C4 | C3 | C16 | H162 | 144.2° | 24.2° |
| C16 | C3 | C4 | C5 | 179.2° | 179.9° |
| C16 | C3 | C4 | O8 | 0.6° | 0.0° |
| C3 | C16 | C17 | H161 | 116.5° | 120.0° |
| C3 | C16 | C17 | H162 | 120.0° | 120.0° |
| C3 | C16 | H161 | H162 | 117.9° | 119.9° |
| C3 | C16 | C17 | C20 | 178.8° | 175.8° |
| C3 | C16 | C17 | H171 | 59.7° | 64.2° |
| C3 | C16 | C17 | H172 | 61.1° | 55.7° |
| C4 | C5 | C6 | C10 | 178.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C4 | O8 | N9 | 0.2° | 0.0° |
| C4 | C5 | C10 | N9 | 1.2° | 0.0° |
| C4 | C5 | C10 | O15 | 179.8° | 180.0° |
| O8 | C4 | C5 | C6 | 179.2° | 180.0° |
| O8 | C4 | C5 | C10 | 0.9° | 0.0° |
| C4 | O8 | N9 | C10 | 0.6° | 0.0° |
| C4 | O8 | N9 | C11 | 179.6° | 180.0° |
| C6 | C5 | C10 | N9 | 179.4° | 180.0° |
| C6 | C5 | C10 | O15 | 2.0° | 0.0° |
| C10 | C5 | C6 | H6 | 1.0° | 0.0° |
| C5 | C10 | N9 | O8 | 1.1° | 0.0° |
| C5 | C10 | N9 | O15 | 178.6° | 180.0° |
| C5 | C10 | N9 | C11 | 179.8° | 180.0° |
| O8 | N9 | C10 | C11 | 179.1° | 180.0° |
| O8 | N9 | C10 | O15 | 179.7° | 180.0° |
| O8 | N9 | C11 | H111 | 121.3° | 90.0° |
| O8 | N9 | C11 | H112 | 118.6° | 30.0° |
| O8 | N9 | C11 | H113 | 1.4° | 150.0° |
| C10 | N9 | C11 | H111 | 59.7° | 90.1° |
| C10 | N9 | C11 | H112 | 60.3° | 150.0° |
| C10 | N9 | C11 | H113 | 179.6° | 30.0° |
| C11 | N9 | C10 | O15 | 1.2° | 0.0° |
| N9 | C11 | H111 | H112 | 120.0° | 120.0° |
| N9 | C11 | H111 | H113 | 120.0° | 120.0° |
| N9 | C11 | H112 | H113 | 120.1° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C17 | C16 | H161 | H162 | 117.9° | 120.0° |
| C16 | C17 | C20 | H171 | 119.2° | 120.0° |
| C16 | C17 | C20 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.4° | 119.9° |
| C16 | C17 | C20 | H201 | 175.5° | 175.2° |
| C16 | C17 | C20 | H202 | 55.5° | 55.2° |
| C16 | C17 | C20 | H203 | 64.4° | 64.8° |
| H161 | C16 | C17 | C20 | 64.6° | 55.8° |
| H161 | C16 | C17 | H171 | 176.2° | 175.8° |
| H161 | C16 | C17 | H172 | 55.4° | 64.3° |
| H162 | C16 | C17 | C20 | 58.9° | 64.2° |
| H162 | C16 | C17 | H171 | 60.3° | 55.8° |
| H162 | C16 | C17 | H172 | 178.9° | 175.7° |
| C20 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C20 | H201 | H202 | 120.0° | 120.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.0° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| H171 | C17 | C20 | H201 | 65.3° | 64.8° |
| H171 | C17 | C20 | H202 | 174.7° | 175.2° |
| H171 | C17 | C20 | H203 | 54.7° | 55.2° |
| H172 | C17 | C20 | H201 | 55.5° | 55.2° |
| H172 | C17 | C20 | H202 | 64.5° | 64.8° |
| H172 | C17 | C20 | H203 | 175.6° | 175.2° |
| H201 | C20 | H202 | H203 | 120.0° | 119.9° |
| C27 | C26 | H261 | H262 | 119.7° | 119.9° |
| C26 | C27 | C30 | H271 | 119.4° | 120.0° |
| C26 | C27 | C30 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 119.6° | 119.9° |
| C26 | C27 | C30 | H301 | 100.1° | 60.0° |
| C26 | C27 | C30 | H302 | 19.8° | 180.0° |
| C26 | C27 | C30 | H303 | 139.9° | 60.0° |
| H261 | C26 | C27 | C30 | 62.2° | 64.8° |
| H261 | C26 | C27 | H271 | 178.4° | 175.2° |
| H261 | C26 | C27 | H272 | 57.8° | 55.2° |
| H262 | C26 | C27 | C30 | 58.4° | 55.2° |
| H262 | C26 | C27 | H271 | 61.0° | 64.8° |
| H262 | C26 | C27 | H272 | 178.4° | 175.2° |
| C30 | C27 | H271 | H272 | 119.6° | 120.1° |
| C27 | C30 | H301 | H302 | 120.0° | 120.0° |
| C27 | C30 | H301 | H303 | 120.0° | 120.0° |
| C27 | C30 | H302 | H303 | 120.0° | 120.0° |
| H271 | C27 | C30 | H301 | 140.5° | 180.0° |
| H271 | C27 | C30 | H302 | 99.6° | 60.0° |
| H271 | C27 | C30 | H303 | 20.4° | 60.0° |
| H272 | C27 | C30 | H301 | 19.9° | 60.0° |
| H272 | C27 | C30 | H302 | 139.9° | 60.0° |
| H272 | C27 | C30 | H303 | 100.1° | 180.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| O36 | C37 | C38 | C39 | 124.9° | 120.0° |
| O36 | C37 | C38 | H37 | 117.5° | 120.0° |
| O36 | C37 | C39 | H37 | 117.5° | 120.0° |
| O36 | C37 | C38 | C40 | 112.0° | 140.0° |
| O36 | C37 | C38 | C44 | 67.9° | 39.7° |
| O36 | C37 | C39 | O60 | 162.4° | 8.3° |
| O36 | C37 | C39 | O61 | 18.9° | 171.7° |
| C38 | C37 | C39 | H37 | 117.5° | 120.0° |
| C37 | C38 | C40 | C44 | 179.9° | 179.8° |
| C38 | C37 | C39 | O60 | 37.5° | 111.7° |
| C38 | C37 | C39 | O61 | 143.8° | 68.3° |
| C37 | C38 | C40 | C41 | 179.2° | 180.0° |
| C37 | C38 | C40 | H40 | 0.7° | 0.1° |
| C37 | C38 | C44 | C43 | 179.2° | 179.8° |
| C37 | C38 | C44 | H44 | 0.8° | 0.2° |
| C39 | C37 | C38 | C40 | 123.1° | 100.0° |
| C39 | C37 | C38 | C44 | 57.0° | 80.3° |
| C37 | C39 | O60 | O61 | 178.6° | 180.0° |
| H37 | C37 | C38 | C40 | 5.5° | 20.0° |
| H37 | C37 | C38 | C44 | 174.6° | 159.7° |
| H37 | C37 | C39 | O60 | 80.1° | 128.3° |
| H37 | C37 | C39 | O61 | 98.6° | 51.7° |
| C38 | C40 | C41 | H40 | 180.0° | 179.9° |
| C38 | C40 | C41 | C42 | 0.5° | 0.0° |
| C38 | C40 | C41 | H41 | 179.4° | 180.0° |
| C40 | C38 | C44 | C43 | 0.6° | 0.4° |
| C40 | C38 | C44 | H44 | 179.4° | 180.0° |
| C44 | C38 | C40 | C41 | 0.6° | 0.2° |
| C44 | C38 | C40 | H40 | 179.4° | 179.7° |
| C38 | C44 | C43 | C42 | 0.6° | 0.4° |
| C38 | C44 | C43 | H44 | 180.0° | 179.6° |
| C38 | C44 | C43 | H43 | 179.5° | 179.7° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.4° | 0.1° |
| C40 | C41 | C42 | C49 | 179.9° | 180.0° |
| H40 | C40 | C41 | C42 | 179.5° | 179.9° |
| H40 | C40 | C41 | H41 | 0.5° | 0.1° |
| C41 | C42 | C43 | C49 | 179.7° | 180.0° |
| C41 | C42 | C43 | C44 | 0.5° | 0.1° |
| C41 | C42 | C43 | H43 | 179.6° | 179.9° |
| C41 | C42 | C49 | C50 | 100.0° | 120.0° |
| C41 | C42 | C49 | C54 | 134.8° | 120.0° |
| C41 | C42 | C49 | H49 | 17.1° | 0.1° |
| H41 | C41 | C42 | C43 | 179.5° | 179.9° |
| H41 | C41 | C42 | C49 | 0.2° | 0.0° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | H44 | 179.4° | 180.0° |
| C43 | C42 | C49 | C50 | 79.7° | 60.0° |
| C43 | C42 | C49 | C54 | 45.5° | 60.0° |
| C43 | C42 | C49 | H49 | 163.2° | 180.0° |
| C49 | C42 | C43 | C44 | 179.9° | 179.8° |
| C49 | C42 | C43 | H43 | 0.1° | 0.1° |
| C42 | C49 | C50 | C54 | 125.2° | 120.0° |
| C42 | C49 | C50 | H49 | 117.1° | 120.0° |
| C42 | C49 | C54 | H49 | 117.2° | 120.0° |
| C42 | C49 | C50 | H501 | 145.8° | 60.0° |
| C42 | C49 | C50 | H502 | 25.8° | 60.0° |
| C42 | C49 | C50 | H503 | 94.2° | 180.0° |
| C42 | C49 | C54 | H541 | 124.1° | 60.0° |
| C42 | C49 | C54 | H542 | 115.9° | 180.0° |
| C42 | C49 | C54 | H543 | 4.1° | 60.0° |
| H43 | C43 | C44 | H44 | 0.5° | 0.1° |
| C50 | C49 | C54 | H49 | 117.2° | 120.0° |
| C49 | C50 | H501 | H502 | 120.0° | 119.9° |
| C49 | C50 | H501 | H503 | 120.0° | 120.0° |
| C49 | C50 | H502 | H503 | 120.0° | 119.9° |
| C50 | C49 | C54 | H541 | 1.6° | 180.0° |
| C50 | C49 | C54 | H542 | 118.4° | 60.0° |
| C50 | C49 | C54 | H543 | 121.6° | 60.0° |
| C54 | C49 | C50 | H501 | 20.6° | 180.0° |
| C54 | C49 | C50 | H502 | 99.4° | 60.0° |
| C54 | C49 | C50 | H503 | 140.6° | 60.0° |
| C49 | C54 | H541 | H542 | 120.0° | 120.1° |
| C49 | C54 | H541 | H543 | 120.0° | 120.0° |
| C49 | C54 | H542 | H543 | 120.0° | 120.0° |
| H49 | C49 | C50 | H501 | 97.1° | 60.0° |
| H49 | C49 | C50 | H502 | 142.9° | 180.0° |
| H49 | C49 | C50 | H503 | 23.0° | 60.0° |
| H49 | C49 | C54 | H541 | 118.7° | 60.0° |
| H49 | C49 | C54 | H542 | 1.3° | 60.1° |
| H49 | C49 | C54 | H543 | 121.3° | 179.9° |
| H501 | C50 | H502 | H503 | 120.0° | 120.1° |
| H541 | C54 | H542 | H543 | 120.0° | 119.9° |
