821
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.37Å | |
| C1 | C56 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | N3 | sing | 1.40Å | 1.54Å | |
| C2 | C10 | sing | 1.47Å | 1.54Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | O9 | doub | 1.21Å | 1.22Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C10 | O11 | doub | 1.22Å | 1.24Å | |
| C10 | N12 | sing | 1.35Å | 1.39Å | |
| N12 | C14 | sing | 1.46Å | 1.43Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | C25 | sing | 1.51Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C19 | sing | 1.52Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C22 | N26 | sing | 1.47Å | 1.49Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C25 | N26 | sing | 1.34Å | 1.42Å | |
| C25 | O29 | doub | 1.21Å | 1.25Å | |
| N26 | C30 | sing | 1.47Å | 1.52Å | |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C43 | sing | 1.48Å | 1.51Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | sing | 1.39Å | 1.45Å | Aromatic |
| C43 | C48 | doub | 1.39Å | 1.44Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.44Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.10Å | |
| C46 | C47 | doub | 1.38Å | 1.42Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C56 | C57 | doub | 1.40Å | 1.44Å | Aromatic |
| C56 | C61 | sing | 1.39Å | 1.41Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.44Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C58 | C59 | doub | 1.38Å | 1.45Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C59 | C60 | sing | 1.40Å | 1.46Å | Aromatic |
| C59 | C65 | sing | 1.51Å | 1.55Å | |
| C60 | C61 | doub | 1.40Å | 1.42Å | Aromatic |
| C60 | C71 | sing | 1.47Å | 1.45Å | |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.51Å | 1.63Å | |
| C65 | H651 | sing | 1.09Å | 1.11Å | |
| C65 | H652 | sing | 1.09Å | 1.12Å | |
| C66 | O69 | sing | 1.34Å | 1.20Å | |
| C66 | O70 | doub | 1.21Å | 1.39Å | |
| O69 | H69 | sing | 0.97Å | 0.95Å | |
| C71 | O72 | doub | 1.21Å | 1.34Å | |
| C71 | H71 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C56 | 122.2° | 120.0° |
| C2 | C1 | H1 | 115.1° | 120.0° |
| C1 | C2 | N3 | 126.6° | 120.0° |
| C1 | C2 | C10 | 118.6° | 120.0° |
| C56 | C1 | H1 | 122.7° | 120.0° |
| C1 | C56 | C57 | 122.3° | 120.0° |
| C1 | C56 | C61 | 120.1° | 120.1° |
| N3 | C2 | C10 | 114.8° | 120.0° |
| C2 | N3 | C4 | 117.6° | 120.0° |
| C2 | N3 | H3 | 127.7° | 120.0° |
| C2 | C10 | O11 | 116.5° | 120.0° |
| C2 | C10 | N12 | 119.9° | 120.0° |
| C4 | N3 | H3 | 114.8° | 120.0° |
| N3 | C4 | C5 | 117.7° | 120.0° |
| N3 | C4 | O9 | 120.8° | 120.0° |
| C5 | C4 | O9 | 121.2° | 120.0° |
| C4 | C5 | H51 | 117.7° | 109.5° |
| C4 | C5 | H52 | 109.2° | 109.4° |
| C4 | C5 | H53 | 109.2° | 109.5° |
| H51 | C5 | H52 | 109.3° | 109.4° |
| H51 | C5 | H53 | 109.3° | 109.4° |
| H52 | C5 | H53 | 100.9° | 109.5° |
| O11 | C10 | N12 | 123.5° | 120.0° |
| C10 | N12 | C14 | 120.2° | 120.0° |
| C10 | N12 | H12 | 118.4° | 120.0° |
| C14 | N12 | H12 | 121.4° | 120.0° |
| N12 | C14 | C15 | 105.8° | 109.6° |
| N12 | C14 | C25 | 104.4° | 109.7° |
| N12 | C14 | H14 | 117.2° | 109.6° |
| C15 | C14 | C25 | 115.4° | 108.7° |
| C15 | C14 | H14 | 106.5° | 109.6° |
| C14 | C15 | C16 | 115.0° | 110.7° |
| C14 | C15 | H151 | 110.2° | 109.2° |
| C14 | C15 | H152 | 110.2° | 109.3° |
| C25 | C14 | H14 | 107.9° | 109.6° |
| C14 | C25 | N26 | 116.2° | 119.9° |
| C14 | C25 | O29 | 120.7° | 120.1° |
| C16 | C15 | H151 | 110.2° | 109.2° |
| C16 | C15 | H152 | 110.2° | 109.2° |
| C15 | C16 | C19 | 114.3° | 113.8° |
| C15 | C16 | H161 | 110.5° | 108.6° |
| C15 | C16 | H162 | 110.4° | 108.6° |
| H151 | C15 | H152 | 100.0° | 109.1° |
| C19 | C16 | H161 | 110.4° | 108.6° |
| C19 | C16 | H162 | 110.4° | 108.7° |
| C16 | C19 | C22 | 113.0° | 110.9° |
| C16 | C19 | H191 | 110.9° | 109.1° |
| C16 | C19 | H192 | 110.9° | 109.2° |
| H161 | C16 | H162 | 99.8° | 108.6° |
| C22 | C19 | H191 | 110.9° | 109.2° |
| C22 | C19 | H192 | 110.9° | 109.2° |
| C19 | C22 | N26 | 114.1° | 108.7° |
| C19 | C22 | H221 | 110.5° | 109.6° |
| C19 | C22 | H222 | 110.5° | 109.6° |
| H191 | C19 | H192 | 99.4° | 109.1° |
| N26 | C22 | H221 | 110.5° | 109.6° |
| N26 | C22 | H222 | 110.5° | 109.6° |
| C22 | N26 | C25 | 123.9° | 120.6° |
| C22 | N26 | C30 | 114.0° | 119.7° |
| H221 | C22 | H222 | 99.8° | 109.7° |
| N26 | C25 | O29 | 123.0° | 119.9° |
| C25 | N26 | C30 | 121.5° | 119.7° |
| N26 | C30 | C31 | 110.8° | 109.5° |
| N26 | C30 | H301 | 111.7° | 109.5° |
| N26 | C30 | H302 | 111.7° | 109.5° |
| C31 | C30 | H301 | 111.7° | 109.4° |
| C31 | C30 | H302 | 111.7° | 109.5° |
| C30 | C31 | C34 | 124.7° | 119.8° |
| C30 | C31 | C38 | 116.0° | 119.9° |
| H301 | C30 | H302 | 98.7° | 109.4° |
| C34 | C31 | C38 | 118.9° | 120.3° |
| C31 | C34 | C35 | 118.3° | 120.1° |
| C31 | C34 | H34 | 120.4° | 120.0° |
| C31 | C38 | C37 | 122.2° | 120.2° |
| C31 | C38 | H38 | 119.2° | 119.9° |
| C35 | C34 | H34 | 121.3° | 119.9° |
| C34 | C35 | C36 | 122.4° | 119.9° |
| C34 | C35 | H35 | 119.0° | 120.1° |
| C36 | C35 | H35 | 118.7° | 120.1° |
| C35 | C36 | C37 | 118.9° | 119.8° |
| C35 | C36 | C43 | 123.2° | 120.1° |
| C37 | C36 | C43 | 117.8° | 120.2° |
| C36 | C37 | C38 | 119.3° | 119.9° |
| C36 | C37 | H37 | 119.4° | 120.0° |
| C36 | C43 | C44 | 120.4° | 120.1° |
| C36 | C43 | C48 | 120.0° | 120.2° |
| C38 | C37 | H37 | 121.3° | 120.1° |
| C37 | C38 | H38 | 118.6° | 119.9° |
| C44 | C43 | C48 | 119.5° | 119.7° |
| C43 | C44 | C45 | 118.3° | 119.9° |
| C43 | C44 | H44 | 121.3° | 120.0° |
| C43 | C48 | C47 | 120.2° | 119.9° |
| C43 | C48 | H48 | 121.4° | 120.0° |
| C45 | C44 | H44 | 120.4° | 120.0° |
| C44 | C45 | C46 | 120.3° | 120.1° |
| C44 | C45 | H45 | 121.3° | 120.0° |
| C46 | C45 | H45 | 118.4° | 119.9° |
| C45 | C46 | C47 | 121.2° | 120.2° |
| C45 | C46 | H46 | 118.5° | 119.9° |
| C47 | C46 | H46 | 120.4° | 119.9° |
| C46 | C47 | C48 | 119.9° | 120.1° |
| C46 | C47 | H47 | 120.9° | 119.9° |
| C48 | C47 | H47 | 119.1° | 120.0° |
| C47 | C48 | H48 | 118.4° | 120.0° |
| C57 | C56 | C61 | 117.5° | 119.8° |
| C56 | C57 | C58 | 122.0° | 120.1° |
| C56 | C57 | H57 | 118.9° | 119.9° |
| C56 | C61 | C60 | 123.0° | 119.7° |
| C56 | C61 | H61 | 118.5° | 120.2° |
| C58 | C57 | H57 | 119.0° | 119.9° |
| C57 | C58 | C59 | 119.3° | 120.3° |
| C57 | C58 | H58 | 120.1° | 119.8° |
| C59 | C58 | H58 | 120.6° | 119.8° |
| C58 | C59 | C60 | 118.7° | 120.2° |
| C58 | C59 | C65 | 116.1° | 119.9° |
| C60 | C59 | C65 | 125.0° | 119.9° |
| C59 | C60 | C61 | 119.5° | 119.8° |
| C59 | C60 | C71 | 126.8° | 120.1° |
| C59 | C65 | C66 | 108.7° | 109.5° |
| C59 | C65 | H651 | 112.5° | 109.5° |
| C59 | C65 | H652 | 112.5° | 109.5° |
| C61 | C60 | C71 | 112.7° | 120.1° |
| C60 | C61 | H61 | 118.5° | 120.1° |
| C60 | C71 | O72 | 117.0° | 120.0° |
| C60 | C71 | H71 | 125.2° | 120.0° |
| C66 | C65 | H651 | 112.5° | 109.5° |
| C66 | C65 | H652 | 112.5° | 109.4° |
| C65 | C66 | O69 | 119.2° | 120.1° |
| C65 | C66 | O70 | 121.0° | 120.0° |
| H651 | C65 | H652 | 97.9° | 109.5° |
| O69 | C66 | O70 | 119.7° | 120.0° |
| C66 | O69 | H69 | 119.3° | 120.0° |
| O72 | C71 | H71 | 117.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C56 | H1 | 180.0° | 180.0° |
| C1 | C2 | N3 | C10 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 97.5° | 119.5° |
| C1 | C2 | N3 | H3 | 82.5° | 60.4° |
| C1 | C2 | C10 | O11 | 148.3° | 5.6° |
| C1 | C2 | C10 | N12 | 34.2° | 174.4° |
| C2 | C1 | C56 | C57 | 19.6° | 9.8° |
| C2 | C1 | C56 | C61 | 162.4° | 170.0° |
| C56 | C1 | C2 | N3 | 1.7° | 10.0° |
| C56 | C1 | C2 | C10 | 178.3° | 170.0° |
| C1 | C56 | C57 | C61 | 178.0° | 179.8° |
| C1 | C56 | C57 | C58 | 178.3° | 180.0° |
| C1 | C56 | C57 | H57 | 1.6° | 0.0° |
| C1 | C56 | C61 | C60 | 176.4° | 179.8° |
| C1 | C56 | C61 | H61 | 3.6° | 0.1° |
| H1 | C1 | C2 | N3 | 178.3° | 170.0° |
| H1 | C1 | C2 | C10 | 1.7° | 10.0° |
| H1 | C1 | C56 | C57 | 160.4° | 170.2° |
| H1 | C1 | C56 | C61 | 17.6° | 10.0° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 170.0° | 174.7° |
| C2 | N3 | C4 | O9 | 3.6° | 5.3° |
| N3 | C2 | C10 | O11 | 31.7° | 174.4° |
| N3 | C2 | C10 | N12 | 145.8° | 5.6° |
| C10 | C2 | N3 | C4 | 82.5° | 60.5° |
| C10 | C2 | N3 | H3 | 97.5° | 119.6° |
| C2 | C10 | O11 | N12 | 177.4° | 180.0° |
| C2 | C10 | N12 | C14 | 178.7° | 174.6° |
| C2 | C10 | N12 | H12 | 1.3° | 5.4° |
| N3 | C4 | C5 | O9 | 173.5° | 179.9° |
| N3 | C4 | C5 | H51 | 180.0° | 180.0° |
| N3 | C4 | C5 | H52 | 54.7° | 60.1° |
| N3 | C4 | C5 | H53 | 54.7° | 60.0° |
| H3 | N3 | C4 | C5 | 10.1° | 5.3° |
| H3 | N3 | C4 | O9 | 176.4° | 174.6° |
| C4 | C5 | H51 | H52 | 125.3° | 119.9° |
| C4 | C5 | H51 | H53 | 125.2° | 120.1° |
| C4 | C5 | H52 | H53 | 114.9° | 120.1° |
| O9 | C4 | C5 | H51 | 6.5° | 0.1° |
| O9 | C4 | C5 | H52 | 118.8° | 120.0° |
| O9 | C4 | C5 | H53 | 131.7° | 119.9° |
| H51 | C5 | H52 | H53 | 115.0° | 120.0° |
| O11 | C10 | N12 | C14 | 4.0° | 5.4° |
| O11 | C10 | N12 | H12 | 176.0° | 174.6° |
| C10 | N12 | C14 | H12 | 180.0° | 180.0° |
| C10 | N12 | C14 | C15 | 162.8° | 57.4° |
| C10 | N12 | C14 | C25 | 75.0° | 176.7° |
| C10 | N12 | C14 | H14 | 44.3° | 62.9° |
| N12 | C14 | C15 | C25 | 114.9° | 119.8° |
| N12 | C14 | C15 | H14 | 125.4° | 120.4° |
| N12 | C14 | C25 | H14 | 125.4° | 120.4° |
| N12 | C14 | C15 | C16 | 165.7° | 34.8° |
| N12 | C14 | C15 | H151 | 40.3° | 85.5° |
| N12 | C14 | C15 | H152 | 69.1° | 155.1° |
| N12 | C14 | C25 | N26 | 175.8° | 48.7° |
| N12 | C14 | C25 | O29 | 5.4° | 131.5° |
| H12 | N12 | C14 | C15 | 17.2° | 122.6° |
| H12 | N12 | C14 | C25 | 105.0° | 3.4° |
| H12 | N12 | C14 | H14 | 135.7° | 117.0° |
| C15 | C14 | C25 | H14 | 118.9° | 119.8° |
| C14 | C15 | C16 | H151 | 125.3° | 120.3° |
| C14 | C15 | C16 | H152 | 125.3° | 120.4° |
| C14 | C15 | H151 | H152 | 116.0° | 119.4° |
| C14 | C15 | C16 | C19 | 62.5° | 66.8° |
| C14 | C15 | C16 | H161 | 62.8° | 54.2° |
| C14 | C15 | C16 | H162 | 172.2° | 172.1° |
| C15 | C14 | C25 | N26 | 68.5° | 71.1° |
| C15 | C14 | C25 | O29 | 110.3° | 108.7° |
| C25 | C14 | C15 | C16 | 79.5° | 85.1° |
| C25 | C14 | C15 | H151 | 155.2° | 154.6° |
| C25 | C14 | C15 | H152 | 45.8° | 35.3° |
| C14 | C25 | N26 | C22 | 7.6° | 0.6° |
| C14 | C25 | N26 | O29 | 178.8° | 179.7° |
| C14 | C25 | N26 | C30 | 177.4° | 179.6° |
| H14 | C14 | C15 | C16 | 40.3° | 155.2° |
| H14 | C14 | C15 | H151 | 85.1° | 34.9° |
| H14 | C14 | C15 | H152 | 165.5° | 84.4° |
| H14 | C14 | C25 | N26 | 50.4° | 169.2° |
| H14 | C14 | C25 | O29 | 130.8° | 11.1° |
| C16 | C15 | H151 | H152 | 116.0° | 119.3° |
| C15 | C16 | C19 | H161 | 125.3° | 121.0° |
| C15 | C16 | C19 | H162 | 125.3° | 121.1° |
| C15 | C16 | H161 | H162 | 116.3° | 117.9° |
| C15 | C16 | C19 | C22 | 66.7° | 67.0° |
| C15 | C16 | C19 | H191 | 168.0° | 172.6° |
| C15 | C16 | C19 | H192 | 58.6° | 53.4° |
| H151 | C15 | C16 | C19 | 172.2° | 172.9° |
| H151 | C15 | C16 | H161 | 62.5° | 66.1° |
| H151 | C15 | C16 | H162 | 46.9° | 51.8° |
| H152 | C15 | C16 | C19 | 62.8° | 53.6° |
| H152 | C15 | C16 | H161 | 172.0° | 174.6° |
| H152 | C15 | C16 | H162 | 62.5° | 67.5° |
| C19 | C16 | H161 | H162 | 116.3° | 118.0° |
| C16 | C19 | C22 | H191 | 125.3° | 120.3° |
| C16 | C19 | C22 | H192 | 125.2° | 120.4° |
| C16 | C19 | H191 | H192 | 116.7° | 119.2° |
| C16 | C19 | C22 | N26 | 83.1° | 86.5° |
| C16 | C19 | C22 | H221 | 42.2° | 33.2° |
| C16 | C19 | C22 | H222 | 151.7° | 153.8° |
| H161 | C16 | C19 | C22 | 58.6° | 54.0° |
| H161 | C16 | C19 | H191 | 66.7° | 66.3° |
| H161 | C16 | C19 | H192 | 176.1° | 174.5° |
| H162 | C16 | C19 | C22 | 168.1° | 171.9° |
| H162 | C16 | C19 | H191 | 42.8° | 51.5° |
| H162 | C16 | C19 | H192 | 66.7° | 67.7° |
| C22 | C19 | H191 | H192 | 116.8° | 119.4° |
| C19 | C22 | N26 | H221 | 125.3° | 119.7° |
| C19 | C22 | N26 | H222 | 125.2° | 119.8° |
| C19 | C22 | H221 | H222 | 116.4° | 120.5° |
| C19 | C22 | N26 | C25 | 59.3° | 72.1° |
| C19 | C22 | N26 | C30 | 111.2° | 108.1° |
| H191 | C19 | C22 | N26 | 151.6° | 153.2° |
| H191 | C19 | C22 | H221 | 83.1° | 87.1° |
| H191 | C19 | C22 | H222 | 26.4° | 33.5° |
| H192 | C19 | C22 | N26 | 42.2° | 33.9° |
| H192 | C19 | C22 | H221 | 167.4° | 153.6° |
| H192 | C19 | C22 | H222 | 83.1° | 85.8° |
| N26 | C22 | H221 | H222 | 116.4° | 120.4° |
| C22 | N26 | C25 | C30 | 169.8° | 179.9° |
| C22 | N26 | C25 | O29 | 171.2° | 179.7° |
| C22 | N26 | C30 | C31 | 76.9° | 90.0° |
| C22 | N26 | C30 | H301 | 157.9° | 150.0° |
| C22 | N26 | C30 | H302 | 48.3° | 30.0° |
| H221 | C22 | N26 | C25 | 65.9° | 47.6° |
| H221 | C22 | N26 | C30 | 123.6° | 132.2° |
| H222 | C22 | N26 | C25 | 175.5° | 168.1° |
| H222 | C22 | N26 | C30 | 14.1° | 11.7° |
| C25 | N26 | C30 | C31 | 93.8° | 89.8° |
| C25 | N26 | C30 | H301 | 31.4° | 30.1° |
| C25 | N26 | C30 | H302 | 140.9° | 150.1° |
| O29 | C25 | N26 | C30 | 1.4° | 0.2° |
| N26 | C30 | C31 | H301 | 125.2° | 120.0° |
| N26 | C30 | C31 | H302 | 125.3° | 120.1° |
| N26 | C30 | H301 | H302 | 117.7° | 120.0° |
| N26 | C30 | C31 | C34 | 119.4° | 90.3° |
| N26 | C30 | C31 | C38 | 53.5° | 90.0° |
| C31 | C30 | H301 | H302 | 117.6° | 120.0° |
| C30 | C31 | C34 | C38 | 172.6° | 179.7° |
| C30 | C31 | C34 | C35 | 174.1° | 179.7° |
| C30 | C31 | C34 | H34 | 6.0° | 0.3° |
| C30 | C31 | C38 | C37 | 173.7° | 180.0° |
| C30 | C31 | C38 | H38 | 6.3° | 0.1° |
| H301 | C30 | C31 | C34 | 115.4° | 149.7° |
| H301 | C30 | C31 | C38 | 71.8° | 30.0° |
| H302 | C30 | C31 | C34 | 5.9° | 29.7° |
| H302 | C30 | C31 | C38 | 178.7° | 150.0° |
| C31 | C34 | C35 | H34 | 180.0° | 179.4° |
| C31 | C34 | C35 | C36 | 0.1° | 0.5° |
| C31 | C34 | C35 | H35 | 179.9° | 179.7° |
| C34 | C31 | C38 | C37 | 0.4° | 0.3° |
| C34 | C31 | C38 | H38 | 179.6° | 179.8° |
| C38 | C31 | C34 | C35 | 1.4° | 0.5° |
| C38 | C31 | C34 | H34 | 178.6° | 180.0° |
| C31 | C38 | C37 | C36 | 2.1° | 0.0° |
| C31 | C38 | C37 | H38 | 180.0° | 180.0° |
| C31 | C38 | C37 | H37 | 177.9° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C34 | C35 | C36 | C37 | 2.6° | 0.2° |
| C34 | C35 | C36 | C43 | 174.2° | 179.8° |
| H34 | C34 | C35 | C36 | 179.9° | 179.9° |
| H34 | C34 | C35 | H35 | 0.1° | 0.3° |
| C35 | C36 | C37 | C43 | 176.9° | 180.0° |
| C35 | C36 | C37 | C38 | 3.5° | 0.1° |
| C35 | C36 | C37 | H37 | 176.5° | 179.9° |
| C35 | C36 | C43 | C44 | 23.6° | 140.0° |
| C35 | C36 | C43 | C48 | 153.3° | 39.8° |
| H35 | C35 | C36 | C37 | 177.4° | 180.0° |
| H35 | C35 | C36 | C43 | 5.8° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 177.9° | 179.9° |
| C37 | C36 | C43 | C44 | 153.2° | 40.0° |
| C37 | C36 | C43 | C48 | 29.9° | 140.2° |
| C43 | C36 | C37 | C38 | 173.4° | 180.0° |
| C43 | C36 | C37 | H37 | 6.6° | 0.1° |
| C36 | C43 | C44 | C48 | 176.9° | 179.7° |
| C36 | C43 | C44 | C45 | 170.7° | 179.7° |
| C36 | C43 | C44 | H44 | 9.3° | 0.3° |
| C36 | C43 | C48 | C47 | 170.9° | 180.0° |
| C36 | C43 | C48 | H48 | 9.1° | 0.0° |
| H37 | C37 | C38 | H38 | 2.1° | 0.1° |
| C43 | C44 | C45 | H44 | 180.0° | 179.4° |
| C43 | C44 | C45 | C46 | 0.4° | 0.6° |
| C43 | C44 | C45 | H45 | 179.7° | 179.7° |
| C44 | C43 | C48 | C47 | 6.0° | 0.3° |
| C44 | C43 | C48 | H48 | 174.0° | 179.8° |
| C48 | C43 | C44 | C45 | 6.2° | 0.6° |
| C48 | C43 | C44 | H44 | 173.8° | 180.0° |
| C43 | C48 | C47 | C46 | 0.1° | 0.0° |
| C43 | C48 | C47 | H48 | 180.0° | 180.0° |
| C43 | C48 | C47 | H47 | 179.9° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 179.8° |
| C44 | C45 | C46 | C47 | 5.8° | 0.3° |
| C44 | C45 | C46 | H46 | 174.2° | 179.7° |
| H44 | C44 | C45 | C46 | 179.6° | 180.0° |
| H44 | C44 | C45 | H45 | 0.4° | 0.3° |
| C45 | C46 | C47 | H46 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 6.1° | 0.1° |
| C45 | C46 | C47 | H47 | 173.9° | 180.0° |
| H45 | C45 | C46 | C47 | 174.2° | 180.0° |
| H45 | C45 | C46 | H46 | 5.8° | 0.1° |
| C46 | C47 | C48 | H47 | 180.0° | 179.9° |
| C46 | C47 | C48 | H48 | 179.9° | 179.9° |
| H46 | C46 | C47 | C48 | 173.9° | 180.0° |
| H46 | C46 | C47 | H47 | 6.1° | 0.1° |
| H47 | C47 | C48 | H48 | 0.1° | 0.0° |
| C56 | C57 | C58 | H57 | 180.0° | 179.9° |
| C56 | C57 | C58 | C59 | 0.5° | 0.1° |
| C56 | C57 | C58 | H58 | 179.5° | 180.0° |
| C57 | C56 | C61 | C60 | 1.7° | 0.5° |
| C57 | C56 | C61 | H61 | 178.4° | 179.9° |
| C61 | C56 | C57 | C58 | 0.3° | 0.3° |
| C61 | C56 | C57 | H57 | 179.6° | 179.8° |
| C56 | C61 | C60 | C59 | 3.4° | 0.4° |
| C56 | C61 | C60 | H61 | 180.0° | 179.6° |
| C56 | C61 | C60 | C71 | 165.7° | 179.8° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 1.2° | 0.0° |
| C57 | C58 | C59 | C65 | 173.7° | 180.0° |
| H57 | C57 | C58 | C59 | 179.4° | 180.0° |
| H57 | C57 | C58 | H58 | 0.6° | 0.1° |
| C58 | C59 | C60 | C65 | 174.4° | 180.0° |
| C58 | C59 | C60 | C61 | 3.1° | 0.2° |
| C58 | C59 | C60 | C71 | 164.3° | 180.0° |
| C58 | C59 | C65 | C66 | 94.6° | 90.0° |
| C58 | C59 | C65 | H651 | 30.7° | 150.0° |
| C58 | C59 | C65 | H652 | 140.2° | 30.0° |
| H58 | C58 | C59 | C60 | 178.8° | 180.0° |
| H58 | C58 | C59 | C65 | 6.3° | 0.0° |
| C59 | C60 | C61 | C71 | 169.1° | 179.8° |
| C59 | C60 | C61 | H61 | 176.6° | 180.0° |
| C60 | C59 | C65 | C66 | 80.0° | 90.0° |
| C60 | C59 | C65 | H651 | 154.7° | 30.0° |
| C60 | C59 | C65 | H652 | 45.3° | 150.0° |
| C59 | C60 | C71 | O72 | 69.7° | 180.0° |
| C59 | C60 | C71 | H71 | 110.3° | 0.0° |
| C65 | C59 | C60 | C61 | 171.4° | 179.8° |
| C65 | C59 | C60 | C71 | 21.2° | 0.0° |
| C59 | C65 | C66 | H651 | 125.3° | 120.0° |
| C59 | C65 | C66 | H652 | 125.2° | 120.0° |
| C59 | C65 | H651 | H652 | 118.4° | 120.0° |
| C59 | C65 | C66 | O69 | 160.5° | 180.0° |
| C59 | C65 | C66 | O70 | 16.8° | 0.0° |
| C61 | C60 | C71 | O72 | 98.5° | 0.2° |
| C61 | C60 | C71 | H71 | 81.5° | 179.8° |
| C71 | C60 | C61 | H61 | 14.3° | 0.2° |
| C60 | C71 | O72 | H71 | 180.0° | 180.0° |
| C66 | C65 | H651 | H652 | 118.4° | 120.0° |
| C65 | C66 | O69 | O70 | 177.4° | 180.0° |
| C65 | C66 | O69 | H69 | 180.0° | 180.0° |
| H651 | C65 | C66 | O69 | 74.2° | 60.0° |
| H651 | C65 | C66 | O70 | 108.5° | 120.0° |
| H652 | C65 | C66 | O69 | 35.3° | 60.0° |
| H652 | C65 | C66 | O70 | 142.1° | 120.0° |
| O70 | C66 | O69 | H69 | 2.6° | 0.1° |
