2J8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | SE1 | sing | 1.99Å | 1.97Å | Aromatic |
| C07 | SE1 | sing | 1.98Å | 1.85Å | Aromatic |
| SE2 | C14 | sing | 1.98Å | 1.85Å | Aromatic |
| SE2 | C12 | sing | 1.99Å | 1.94Å | Aromatic |
| C19 | SE3 | sing | 1.99Å | 1.95Å | Aromatic |
| SE3 | C21 | sing | 1.98Å | 1.87Å | Aromatic |
| N22 | C01 | sing | 1.34Å | 1.39Å | Aromatic |
| C21 | C01 | doub | 1.36Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.48Å | 1.52Å | |
| N03 | C02 | sing | 1.37Å | 1.41Å | |
| C02 | O25 | doub | 1.22Å | 1.24Å | |
| N03 | C04 | sing | 1.48Å | 1.49Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| C28 | C04 | sing | 1.53Å | 1.60Å | |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| N24 | C05 | doub | 1.30Å | 1.32Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.38Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | C08 | sing | 1.47Å | 1.52Å | |
| N24 | C08 | sing | 1.34Å | 1.40Å | Aromatic |
| N10 | C09 | sing | 1.37Å | 1.40Å | |
| C09 | O26 | doub | 1.22Å | 1.25Å | |
| C11 | N10 | sing | 1.48Å | 1.46Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C31 | C11 | sing | 1.53Å | 1.62Å | |
| C12 | C11 | sing | 1.51Å | 1.57Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | N23 | doub | 1.30Å | 1.30Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.35Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.47Å | 1.49Å | |
| C15 | N23 | sing | 1.34Å | 1.41Å | Aromatic |
| N17 | C16 | sing | 1.37Å | 1.37Å | |
| C16 | O27 | doub | 1.22Å | 1.25Å | |
| N17 | C18 | sing | 1.48Å | 1.41Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C34 | C18 | sing | 1.53Å | 1.59Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | N22 | doub | 1.30Å | 1.30Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.55Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C36 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | SE1 | C07 | 86.6° | 90.9° |
| SE1 | C05 | C04 | 122.7° | 129.2° |
| SE1 | C05 | N24 | 110.3° | 100.7° |
| SE1 | C07 | C08 | 109.8° | 100.1° |
| SE1 | C07 | H07 | 125.1° | 129.9° |
| C14 | SE2 | C12 | 86.9° | 90.9° |
| SE2 | C14 | C15 | 109.6° | 100.1° |
| SE2 | C14 | H14 | 125.2° | 129.9° |
| SE2 | C12 | C11 | 123.4° | 129.1° |
| SE2 | C12 | N23 | 109.9° | 100.8° |
| C19 | SE3 | C21 | 85.1° | 90.9° |
| SE3 | C19 | C18 | 123.6° | 129.1° |
| SE3 | C19 | N22 | 110.7° | 100.8° |
| SE3 | C21 | C01 | 110.9° | 100.1° |
| SE3 | C21 | H21 | 124.6° | 130.0° |
| N22 | C01 | C21 | 116.5° | 122.7° |
| N22 | C01 | C02 | 121.0° | 119.3° |
| C01 | N22 | C19 | 116.9° | 125.5° |
| C21 | C01 | C02 | 122.5° | 118.0° |
| C01 | C21 | H21 | 124.5° | 129.9° |
| C01 | C02 | N03 | 122.0° | 119.7° |
| C01 | C02 | O25 | 117.9° | 120.1° |
| N03 | C02 | O25 | 120.1° | 120.2° |
| C02 | N03 | C04 | 127.4° | 114.3° |
| C02 | N03 | HN03 | 116.3° | 122.8° |
| C04 | N03 | HN03 | 116.3° | 122.9° |
| N03 | C04 | C28 | 111.0° | 109.5° |
| N03 | C04 | C05 | 109.4° | 109.2° |
| N03 | C04 | H04 | 107.9° | 109.6° |
| C28 | C04 | C05 | 114.4° | 109.5° |
| C28 | C04 | H04 | 106.6° | 109.5° |
| C04 | C28 | C29 | 114.2° | 109.5° |
| C04 | C28 | C30 | 116.7° | 109.5° |
| C04 | C28 | H28 | 104.1° | 109.4° |
| C05 | C04 | H04 | 107.3° | 109.5° |
| C04 | C05 | N24 | 127.0° | 130.1° |
| C05 | N24 | C08 | 115.0° | 125.5° |
| C08 | C07 | H07 | 125.1° | 130.0° |
| C07 | C08 | C09 | 122.0° | 118.0° |
| C07 | C08 | N24 | 118.3° | 122.7° |
| C09 | C08 | N24 | 119.7° | 119.3° |
| C08 | C09 | N10 | 119.6° | 120.1° |
| C08 | C09 | O26 | 120.3° | 119.9° |
| N10 | C09 | O26 | 120.1° | 120.0° |
| C09 | N10 | C11 | 128.3° | 114.2° |
| C09 | N10 | HN10 | 115.9° | 122.9° |
| C11 | N10 | HN10 | 115.8° | 122.9° |
| N10 | C11 | C31 | 112.6° | 109.5° |
| N10 | C11 | C12 | 108.9° | 109.3° |
| N10 | C11 | H11 | 108.4° | 109.5° |
| C31 | C11 | C12 | 113.0° | 109.5° |
| C31 | C11 | H11 | 106.5° | 109.5° |
| C11 | C31 | C33 | 115.9° | 109.5° |
| C11 | C31 | C32 | 114.8° | 109.5° |
| C11 | C31 | H31 | 105.3° | 109.5° |
| C12 | C11 | H11 | 107.1° | 109.5° |
| C11 | C12 | N23 | 126.7° | 130.1° |
| C12 | N23 | C15 | 115.5° | 125.5° |
| C15 | C14 | H14 | 125.2° | 129.9° |
| C14 | C15 | C16 | 119.8° | 118.0° |
| C14 | C15 | N23 | 118.0° | 122.7° |
| C16 | C15 | N23 | 122.1° | 119.3° |
| C15 | C16 | N17 | 114.4° | 120.1° |
| C15 | C16 | O27 | 121.8° | 119.9° |
| N17 | C16 | O27 | 123.8° | 119.9° |
| C16 | N17 | C18 | 132.4° | 114.1° |
| C16 | N17 | HN17 | 113.8° | 122.9° |
| C18 | N17 | HN17 | 113.8° | 122.9° |
| N17 | C18 | C34 | 109.5° | 109.5° |
| N17 | C18 | C19 | 104.1° | 109.5° |
| N17 | C18 | H18 | 112.4° | 109.5° |
| C34 | C18 | C19 | 110.4° | 109.4° |
| C34 | C18 | H18 | 109.8° | 109.5° |
| C18 | C34 | C35 | 116.2° | 109.5° |
| C18 | C34 | C36 | 114.5° | 109.5° |
| C18 | C34 | H34 | 105.4° | 109.5° |
| C19 | C18 | H18 | 110.6° | 109.4° |
| C18 | C19 | N22 | 125.7° | 130.1° |
| C29 | C28 | C30 | 110.9° | 109.5° |
| C29 | C28 | H28 | 104.8° | 109.4° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H29A | 109.4° | 109.5° |
| C28 | C29 | H29B | 109.5° | 109.5° |
| C30 | C28 | H28 | 104.6° | 109.5° |
| C28 | C30 | H30 | 109.5° | 109.4° |
| C28 | C30 | H30A | 109.4° | 109.5° |
| C28 | C30 | H30B | 109.5° | 109.4° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| C33 | C31 | C32 | 107.6° | 109.4° |
| C33 | C31 | H31 | 106.4° | 109.4° |
| C31 | C33 | H33 | 109.5° | 109.4° |
| C31 | C33 | H33A | 109.5° | 109.5° |
| C31 | C33 | H33B | 109.5° | 109.5° |
| C32 | C31 | H31 | 106.1° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.4° | 109.5° |
| H32 | C32 | H32A | 109.4° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.4° | 109.5° |
| C35 | C34 | C36 | 107.8° | 109.4° |
| C35 | C34 | H34 | 105.9° | 109.4° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.4° |
| C36 | C34 | H34 | 106.2° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.5° |
| C34 | C36 | H36A | 109.5° | 109.5° |
| C34 | C36 | H36B | 109.4° | 109.5° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.4° |
| H36A | C36 | H36B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SE1 | C05 | C04 | N03 | 169.5° | 166.8° |
| SE1 | C05 | C04 | C28 | 65.3° | 73.3° |
| SE1 | C05 | C04 | N24 | 178.5° | 179.9° |
| SE1 | C05 | C04 | H04 | 52.7° | 46.8° |
| C05 | SE1 | C07 | C08 | 0.2° | 0.3° |
| C05 | SE1 | C07 | H07 | 179.8° | 179.8° |
| SE1 | C05 | N24 | C08 | 0.2° | 0.3° |
| C07 | SE1 | C05 | C04 | 178.7° | 179.8° |
| C07 | SE1 | C05 | N24 | 0.1° | 0.3° |
| SE1 | C07 | C08 | H07 | 180.0° | 179.9° |
| SE1 | C07 | C08 | C09 | 178.7° | 180.0° |
| SE1 | C07 | C08 | N24 | 0.4° | 0.2° |
| C14 | SE2 | C12 | C11 | 179.6° | 179.8° |
| C14 | SE2 | C12 | N23 | 0.5° | 0.2° |
| SE2 | C14 | C15 | H14 | 180.0° | 180.0° |
| SE2 | C14 | C15 | C16 | 178.1° | 179.9° |
| SE2 | C14 | C15 | N23 | 1.9° | 0.3° |
| SE2 | C12 | C11 | N10 | 135.4° | 174.7° |
| SE2 | C12 | C11 | C31 | 9.5° | 65.4° |
| SE2 | C12 | C11 | N23 | 179.9° | 179.9° |
| SE2 | C12 | C11 | H11 | 107.5° | 54.7° |
| C12 | SE2 | C14 | C15 | 0.8° | 0.2° |
| C12 | SE2 | C14 | H14 | 179.2° | 179.8° |
| SE2 | C12 | N23 | C15 | 1.6° | 0.1° |
| SE3 | C19 | N22 | C01 | 0.6° | 0.3° |
| C19 | SE3 | C21 | C01 | 0.3° | 0.2° |
| SE3 | C19 | C18 | N17 | 157.5° | 169.2° |
| SE3 | C19 | C18 | C34 | 40.1° | 70.8° |
| SE3 | C19 | C18 | N22 | 178.7° | 180.0° |
| SE3 | C19 | C18 | H18 | 81.6° | 49.2° |
| C19 | SE3 | C21 | H21 | 179.7° | 179.8° |
| SE3 | C21 | C01 | N22 | 0.0° | 0.1° |
| SE3 | C21 | C01 | H21 | 180.0° | 179.9° |
| SE3 | C21 | C01 | C02 | 179.4° | 180.0° |
| C21 | SE3 | C19 | C18 | 179.4° | 179.8° |
| C21 | SE3 | C19 | N22 | 0.5° | 0.2° |
| N22 | C01 | C21 | C02 | 179.5° | 179.9° |
| N22 | C01 | C02 | N03 | 112.7° | 0.5° |
| N22 | C01 | C02 | O25 | 66.2° | 179.4° |
| C01 | N22 | C19 | C18 | 179.4° | 179.7° |
| N22 | C01 | C21 | H21 | 180.0° | 179.9° |
| C21 | C01 | C02 | N03 | 66.8° | 179.6° |
| C21 | C01 | C02 | O25 | 114.3° | 0.5° |
| C21 | C01 | N22 | C19 | 0.4° | 0.2° |
| C01 | C02 | N03 | O25 | 178.8° | 180.0° |
| C01 | C02 | N03 | C04 | 179.5° | 178.2° |
| C01 | C02 | N03 | HN03 | 0.5° | 1.8° |
| C02 | C01 | N22 | C19 | 179.9° | 179.7° |
| C02 | C01 | C21 | H21 | 0.6° | 0.0° |
| C02 | N03 | C04 | HN03 | 180.0° | 180.0° |
| C02 | N03 | C04 | C28 | 176.9° | 76.7° |
| C02 | N03 | C04 | C05 | 55.9° | 163.3° |
| C02 | N03 | C04 | H04 | 60.5° | 43.4° |
| O25 | C02 | N03 | C04 | 0.6° | 1.8° |
| O25 | C02 | N03 | HN03 | 179.4° | 178.2° |
| N03 | C04 | C28 | C05 | 124.4° | 119.8° |
| N03 | C04 | C28 | H04 | 117.2° | 120.2° |
| N03 | C04 | C05 | H04 | 116.8° | 120.0° |
| N03 | C04 | C05 | N24 | 9.0° | 13.1° |
| N03 | C04 | C28 | C29 | 100.8° | 180.0° |
| N03 | C04 | C28 | C30 | 127.6° | 60.0° |
| N03 | C04 | C28 | H28 | 12.8° | 60.1° |
| HN03 | N03 | C04 | C28 | 3.1° | 103.3° |
| HN03 | N03 | C04 | C05 | 124.1° | 16.6° |
| HN03 | N03 | C04 | H04 | 119.5° | 136.6° |
| C28 | C04 | C05 | H04 | 118.0° | 120.1° |
| C28 | C04 | C05 | N24 | 116.2° | 106.8° |
| C04 | C28 | C29 | C30 | 134.4° | 120.0° |
| C04 | C28 | C29 | H28 | 113.3° | 119.9° |
| C04 | C28 | C30 | H28 | 114.5° | 120.0° |
| C04 | C28 | C29 | H29 | 180.0° | 60.0° |
| C04 | C28 | C29 | H29A | 60.0° | 180.0° |
| C04 | C28 | C29 | H29B | 60.0° | 60.0° |
| C04 | C28 | C30 | H30 | 180.0° | 60.0° |
| C04 | C28 | C30 | H30A | 60.0° | 60.0° |
| C04 | C28 | C30 | H30B | 60.0° | 180.0° |
| C04 | C05 | N24 | C08 | 178.8° | 179.8° |
| C05 | C04 | C28 | C29 | 23.5° | 60.2° |
| C05 | C04 | C28 | C30 | 108.1° | 179.7° |
| C05 | C04 | C28 | H28 | 137.2° | 59.7° |
| H04 | C04 | C05 | N24 | 125.8° | 133.1° |
| H04 | C04 | C28 | C29 | 141.9° | 59.9° |
| H04 | C04 | C28 | C30 | 10.3° | 60.2° |
| H04 | C04 | C28 | H28 | 104.4° | 179.8° |
| C05 | N24 | C08 | C07 | 0.4° | 0.1° |
| C05 | N24 | C08 | C09 | 178.7° | 179.7° |
| C07 | C08 | C09 | N24 | 179.1° | 179.8° |
| C07 | C08 | C09 | N10 | 106.7° | 179.6° |
| C07 | C08 | C09 | O26 | 73.4° | 0.3° |
| H07 | C07 | C08 | C09 | 1.3° | 0.1° |
| H07 | C07 | C08 | N24 | 179.6° | 179.9° |
| C08 | C09 | N10 | O26 | 179.9° | 179.9° |
| C08 | C09 | N10 | C11 | 178.8° | 177.2° |
| C08 | C09 | N10 | HN10 | 1.3° | 2.7° |
| N24 | C08 | C09 | N10 | 72.4° | 0.6° |
| N24 | C08 | C09 | O26 | 107.5° | 179.5° |
| C09 | N10 | C11 | HN10 | 180.0° | 179.9° |
| C09 | N10 | C11 | C31 | 142.0° | 71.7° |
| C09 | N10 | C11 | C12 | 91.9° | 168.3° |
| C09 | N10 | C11 | H11 | 24.3° | 48.4° |
| O26 | C09 | N10 | C11 | 1.2° | 2.9° |
| O26 | C09 | N10 | HN10 | 178.8° | 177.2° |
| N10 | C11 | C31 | C12 | 123.9° | 119.8° |
| N10 | C11 | C31 | H11 | 118.8° | 120.1° |
| N10 | C11 | C12 | H11 | 117.1° | 120.0° |
| N10 | C11 | C12 | N23 | 44.5° | 5.4° |
| N10 | C11 | C31 | C33 | 21.6° | 174.1° |
| N10 | C11 | C31 | C32 | 104.8° | 65.9° |
| N10 | C11 | C31 | H31 | 138.8° | 54.2° |
| HN10 | N10 | C11 | C31 | 38.0° | 108.2° |
| HN10 | N10 | C11 | C12 | 88.1° | 11.7° |
| HN10 | N10 | C11 | H11 | 155.7° | 131.7° |
| C31 | C11 | C12 | H11 | 117.0° | 120.1° |
| C31 | C11 | C12 | N23 | 170.4° | 114.6° |
| C11 | C31 | C33 | C32 | 129.9° | 120.0° |
| C11 | C31 | C33 | H31 | 116.7° | 120.0° |
| C11 | C31 | C32 | H31 | 115.9° | 120.1° |
| C11 | C31 | C32 | H32 | 180.0° | 65.1° |
| C11 | C31 | C32 | H32A | 60.0° | 174.9° |
| C11 | C31 | C32 | H32B | 60.0° | 54.9° |
| C11 | C31 | C33 | H33 | 180.0° | 60.0° |
| C11 | C31 | C33 | H33A | 60.0° | 180.0° |
| C11 | C31 | C33 | H33B | 60.0° | 60.0° |
| C11 | C12 | N23 | C15 | 178.5° | 179.9° |
| C12 | C11 | C31 | C33 | 102.3° | 66.0° |
| C12 | C11 | C31 | C32 | 131.3° | 53.9° |
| C12 | C11 | C31 | H31 | 15.0° | 174.0° |
| H11 | C11 | C12 | N23 | 72.5° | 125.4° |
| H11 | C11 | C31 | C33 | 140.3° | 54.0° |
| H11 | C11 | C31 | C32 | 14.0° | 174.0° |
| H11 | C11 | C31 | H31 | 102.4° | 66.0° |
| C12 | N23 | C15 | C14 | 2.5° | 0.1° |
| C12 | N23 | C15 | C16 | 178.5° | 179.8° |
| C14 | C15 | C16 | N23 | 176.0° | 179.7° |
| C14 | C15 | C16 | N17 | 77.6° | 178.9° |
| C14 | C15 | C16 | O27 | 100.7° | 1.0° |
| H14 | C14 | C15 | C16 | 1.9° | 0.1° |
| H14 | C14 | C15 | N23 | 178.1° | 179.8° |
| C15 | C16 | N17 | O27 | 178.2° | 180.0° |
| C15 | C16 | N17 | C18 | 179.1° | 178.0° |
| C15 | C16 | N17 | HN17 | 0.9° | 2.0° |
| N23 | C15 | C16 | N17 | 98.4° | 1.4° |
| N23 | C15 | C16 | O27 | 83.3° | 178.6° |
| C16 | N17 | C18 | HN17 | 180.0° | 180.0° |
| C16 | N17 | C18 | C34 | 126.8° | 67.0° |
| C16 | N17 | C18 | C19 | 115.2° | 173.0° |
| C16 | N17 | C18 | H18 | 4.5° | 53.0° |
| O27 | C16 | N17 | C18 | 2.7° | 2.1° |
| O27 | C16 | N17 | HN17 | 177.3° | 177.9° |
| N17 | C18 | C34 | C19 | 114.1° | 120.1° |
| N17 | C18 | C34 | H18 | 123.8° | 120.0° |
| N17 | C18 | C19 | H18 | 120.9° | 120.0° |
| N17 | C18 | C19 | N22 | 21.2° | 10.8° |
| N17 | C18 | C34 | C35 | 12.0° | 65.6° |
| N17 | C18 | C34 | C36 | 138.8° | 174.5° |
| N17 | C18 | C34 | H34 | 104.9° | 54.4° |
| HN17 | N17 | C18 | C34 | 53.2° | 113.0° |
| HN17 | N17 | C18 | C19 | 64.8° | 7.0° |
| HN17 | N17 | C18 | H18 | 175.5° | 127.0° |
| C34 | C18 | C19 | H18 | 121.7° | 120.0° |
| C34 | C18 | C19 | N22 | 138.6° | 109.2° |
| C18 | C34 | C35 | C36 | 130.1° | 120.0° |
| C18 | C34 | C35 | H34 | 116.5° | 120.0° |
| C18 | C34 | C36 | H34 | 115.9° | 120.0° |
| C18 | C34 | C35 | H35 | 180.0° | 55.5° |
| C18 | C34 | C35 | H35A | 60.0° | 175.5° |
| C18 | C34 | C35 | H35B | 60.0° | 64.5° |
| C18 | C34 | C36 | H36 | 180.0° | 60.0° |
| C18 | C34 | C36 | H36A | 60.0° | 180.0° |
| C18 | C34 | C36 | H36B | 60.0° | 60.0° |
| C19 | C18 | C34 | C35 | 126.0° | 54.5° |
| C19 | C18 | C34 | C36 | 107.2° | 65.5° |
| C19 | C18 | C34 | H34 | 9.2° | 174.5° |
| H18 | C18 | C19 | N22 | 99.7° | 130.8° |
| H18 | C18 | C34 | C35 | 111.8° | 174.4° |
| H18 | C18 | C34 | C36 | 15.0° | 54.5° |
| H18 | C18 | C34 | H34 | 131.3° | 65.6° |
| C29 | C28 | C30 | H28 | 112.4° | 120.0° |
| C28 | C29 | H29 | H29A | 120.0° | 120.1° |
| C28 | C29 | H29 | H29B | 120.0° | 120.0° |
| C28 | C29 | H29A | H29B | 120.0° | 120.0° |
| C29 | C28 | C30 | H30 | 46.9° | 60.0° |
| C29 | C28 | C30 | H30A | 73.1° | 180.0° |
| C29 | C28 | C30 | H30B | 166.9° | 60.0° |
| C30 | C28 | C29 | H29 | 45.6° | 60.0° |
| C30 | C28 | C29 | H29A | 165.6° | 60.0° |
| C30 | C28 | C29 | H29B | 74.4° | 180.0° |
| C28 | C30 | H30 | H30A | 120.0° | 120.0° |
| C28 | C30 | H30 | H30B | 120.0° | 119.9° |
| C28 | C30 | H30A | H30B | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 66.7° | 179.9° |
| H28 | C28 | C29 | H29A | 53.3° | 60.0° |
| H28 | C28 | C29 | H29B | 173.3° | 59.9° |
| H28 | C28 | C30 | H30 | 65.5° | 180.0° |
| H28 | C28 | C30 | H30A | 174.4° | 60.0° |
| H28 | C28 | C30 | H30B | 54.5° | 60.0° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| C33 | C31 | C32 | H31 | 113.6° | 119.9° |
| C33 | C31 | C32 | H32 | 49.5° | 54.9° |
| C33 | C31 | C32 | H32A | 169.4° | 65.1° |
| C33 | C31 | C32 | H32B | 70.5° | 175.0° |
| C31 | C33 | H33 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33B | 120.0° | 120.0° |
| C31 | C33 | H33A | H33B | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C31 | C33 | H33 | 50.1° | 180.0° |
| C32 | C31 | C33 | H33A | 69.9° | 60.0° |
| C32 | C31 | C33 | H33B | 170.1° | 60.0° |
| H31 | C31 | C32 | H32 | 64.1° | 174.8° |
| H31 | C31 | C32 | H32A | 55.9° | 54.9° |
| H31 | C31 | C32 | H32B | 175.9° | 65.1° |
| H31 | C31 | C33 | H33 | 63.3° | 60.0° |
| H31 | C31 | C33 | H33A | 176.7° | 60.0° |
| H31 | C31 | C33 | H33B | 56.7° | 180.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.1° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| C35 | C34 | C36 | H34 | 113.2° | 119.9° |
| C34 | C35 | H35 | H35A | 120.0° | 120.1° |
| C34 | C35 | H35 | H35B | 120.0° | 119.9° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C34 | C36 | H36 | 49.0° | 180.0° |
| C35 | C34 | C36 | H36A | 169.0° | 60.0° |
| C35 | C34 | C36 | H36B | 71.0° | 60.1° |
| C36 | C34 | C35 | H35 | 49.9° | 64.5° |
| C36 | C34 | C35 | H35A | 70.1° | 55.5° |
| C36 | C34 | C35 | H35B | 169.9° | 175.5° |
| C34 | C36 | H36 | H36A | 120.0° | 120.0° |
| C34 | C36 | H36 | H36B | 120.0° | 120.0° |
| C34 | C36 | H36A | H36B | 120.0° | 120.1° |
| H34 | C34 | C35 | H35 | 63.5° | 175.5° |
| H34 | C34 | C35 | H35A | 176.5° | 64.4° |
| H34 | C34 | C35 | H35B | 56.5° | 55.6° |
| H34 | C34 | C36 | H36 | 64.2° | 60.1° |
| H34 | C34 | C36 | H36A | 55.9° | 59.9° |
| H34 | C34 | C36 | H36B | 175.8° | 180.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | H36A | H36B | 120.0° | 119.9° |
