AW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR9 | C08 | sing | 1.89Å | 1.90Å | |
| N01 | C02 | sing | 1.38Å | 1.33Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| C02 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.34Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.34Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | N05 | doub | 1.33Å | 1.35Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C06 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.46Å | 1.43Å | Aromatic |
| C08 | C10 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C39 | C12 | sing | 1.54Å | 1.53Å | |
| C12 | O13 | sing | 1.44Å | 1.40Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.44Å | 1.45Å | |
| C37 | C14 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N16 | C34 | sing | 1.47Å | 1.47Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C21 | O33 | doub | 1.22Å | 1.23Å | |
| C21 | N22 | sing | 1.35Å | 1.36Å | |
| N22 | C23 | sing | 1.40Å | 1.41Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C30 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | 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 | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C39 | C37 | sing | 1.55Å | 1.55Å | |
| O38 | C37 | sing | 1.43Å | 1.42Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| O38 | HO38 | sing | 0.97Å | 0.95Å | |
| O40 | C39 | sing | 1.43Å | 1.42Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR9 | C08 | C07 | 123.9° | 126.6° |
| BR9 | C08 | C10 | 127.9° | 126.6° |
| C02 | N01 | HN01 | 109.5° | 119.9° |
| C02 | N01 | HN0A | 109.5° | 120.0° |
| N01 | C02 | C07 | 123.2° | 120.8° |
| N01 | C02 | N03 | 118.2° | 120.8° |
| HN01 | N01 | HN0A | 109.4° | 120.1° |
| C07 | C02 | N03 | 118.6° | 118.3° |
| C02 | C07 | C06 | 116.6° | 118.7° |
| C02 | C07 | C08 | 137.4° | 135.1° |
| C02 | N03 | C04 | 118.4° | 121.0° |
| N03 | C04 | N05 | 128.8° | 122.8° |
| N03 | C04 | H04 | 115.6° | 118.6° |
| N05 | C04 | H04 | 115.6° | 118.6° |
| C04 | N05 | C06 | 112.2° | 120.7° |
| N05 | C06 | C07 | 125.4° | 118.6° |
| N05 | C06 | N11 | 126.3° | 134.3° |
| C07 | C06 | N11 | 108.3° | 107.2° |
| C06 | C07 | C08 | 106.0° | 106.2° |
| C06 | N11 | C10 | 108.6° | 110.0° |
| C06 | N11 | C12 | 125.7° | 125.0° |
| C07 | C08 | C10 | 108.2° | 106.9° |
| C08 | C10 | N11 | 108.9° | 109.8° |
| C08 | C10 | H10 | 125.6° | 125.1° |
| N11 | C10 | H10 | 125.5° | 125.1° |
| C10 | N11 | C12 | 125.7° | 125.0° |
| N11 | C12 | C39 | 114.8° | 110.4° |
| N11 | C12 | O13 | 110.3° | 110.3° |
| N11 | C12 | H12 | 108.9° | 110.3° |
| C39 | C12 | O13 | 104.6° | 104.8° |
| C39 | C12 | H12 | 108.2° | 110.5° |
| C12 | C39 | C37 | 101.8° | 104.1° |
| C12 | C39 | O40 | 109.8° | 110.5° |
| C12 | C39 | H39 | 110.2° | 110.5° |
| O13 | C12 | H12 | 109.9° | 110.4° |
| C12 | O13 | C14 | 105.7° | 105.3° |
| O13 | C14 | C37 | 106.3° | 104.8° |
| O13 | C14 | C15 | 108.9° | 110.4° |
| O13 | C14 | H14 | 109.9° | 110.4° |
| C37 | C14 | C15 | 113.7° | 110.4° |
| C37 | C14 | H14 | 108.7° | 110.5° |
| C14 | C37 | C39 | 103.8° | 104.0° |
| C14 | C37 | O38 | 108.9° | 110.5° |
| C14 | C37 | H37 | 109.3° | 110.5° |
| C15 | C14 | H14 | 109.3° | 110.3° |
| C14 | C15 | N16 | 119.3° | 109.5° |
| C14 | C15 | H15 | 107.0° | 109.5° |
| C14 | C15 | H15A | 107.0° | 109.5° |
| N16 | C15 | H15 | 107.0° | 109.4° |
| N16 | C15 | H15A | 107.0° | 109.5° |
| C15 | N16 | C34 | 107.7° | 111.0° |
| C15 | N16 | C17 | 112.2° | 111.0° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| C34 | N16 | C17 | 114.1° | 111.0° |
| N16 | C34 | C36 | 111.8° | 109.5° |
| N16 | C34 | C35 | 110.8° | 109.5° |
| N16 | C34 | H34 | 107.5° | 109.5° |
| N16 | C17 | C18 | 114.5° | 109.5° |
| N16 | C17 | H17 | 108.2° | 109.4° |
| N16 | C17 | H17A | 108.2° | 109.5° |
| C18 | C17 | H17 | 108.2° | 109.5° |
| C18 | C17 | H17A | 108.2° | 109.5° |
| C17 | C18 | C19 | 114.9° | 109.5° |
| C17 | C18 | H18 | 108.1° | 109.5° |
| C17 | C18 | H18A | 108.1° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| C19 | C18 | H18 | 108.1° | 109.4° |
| C19 | C18 | H18A | 108.1° | 109.5° |
| C18 | C19 | N20 | 111.9° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C18 | C19 | H19A | 108.9° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| N20 | C19 | H19 | 108.9° | 109.5° |
| N20 | C19 | H19A | 108.8° | 109.5° |
| C19 | N20 | C21 | 121.8° | 120.0° |
| C19 | N20 | HN20 | 119.1° | 120.0° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| C21 | N20 | HN20 | 119.1° | 120.0° |
| N20 | C21 | O33 | 122.7° | 120.0° |
| N20 | C21 | N22 | 114.5° | 120.0° |
| O33 | C21 | N22 | 122.9° | 120.0° |
| C21 | N22 | C23 | 125.3° | 120.0° |
| C21 | N22 | HN22 | 117.3° | 120.0° |
| C23 | N22 | HN22 | 117.3° | 120.0° |
| N22 | C23 | C24 | 118.9° | 120.1° |
| N22 | C23 | C32 | 122.0° | 120.1° |
| C24 | C23 | C32 | 119.2° | 119.8° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C23 | C32 | C31 | 120.1° | 119.9° |
| C23 | C32 | H32 | 119.9° | 120.0° |
| C25 | C24 | H24 | 119.9° | 120.0° |
| C24 | C25 | C26 | 121.2° | 120.1° |
| C24 | C25 | H25 | 119.4° | 120.0° |
| C26 | C25 | H25 | 119.4° | 120.0° |
| C25 | C26 | C31 | 118.0° | 120.1° |
| C25 | C26 | C27 | 120.5° | 119.9° |
| C31 | C26 | C27 | 121.5° | 119.9° |
| C26 | C31 | C32 | 121.3° | 120.1° |
| C26 | C31 | H31 | 119.3° | 120.0° |
| C26 | C27 | C28 | 109.6° | 109.5° |
| C26 | C27 | C30 | 110.2° | 109.5° |
| C26 | C27 | C29 | 111.1° | 109.5° |
| C28 | C27 | C30 | 109.8° | 109.5° |
| C28 | C27 | C29 | 108.8° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H28A | 109.4° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| C30 | C27 | C29 | 107.3° | 109.4° |
| C27 | C30 | H30 | 109.5° | 109.5° |
| C27 | C30 | H30A | 109.4° | 109.5° |
| C27 | C30 | H30B | 109.5° | 109.5° |
| C27 | C29 | H29 | 109.5° | 109.5° |
| C27 | C29 | H29A | 109.5° | 109.5° |
| C27 | C29 | H29B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.4° |
| H30 | C30 | H30B | 109.4° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| C32 | C31 | H31 | 119.4° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.1° |
| C36 | C34 | C35 | 112.6° | 109.4° |
| C36 | C34 | H34 | 106.8° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.4° |
| C34 | C36 | H36A | 109.5° | 109.5° |
| C34 | C36 | H36B | 109.5° | 109.5° |
| C35 | C34 | H34 | 106.9° | 109.4° |
| C34 | C35 | H35 | 109.5° | 109.4° |
| C34 | C35 | H35A | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.4° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| 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° |
| C39 | C37 | O38 | 114.6° | 110.6° |
| C39 | C37 | H37 | 109.1° | 110.6° |
| C37 | C39 | O40 | 113.0° | 110.5° |
| C37 | C39 | H39 | 109.9° | 110.5° |
| O38 | C37 | H37 | 110.8° | 110.5° |
| C37 | O38 | HO38 | 109.5° | 114.0° |
| O40 | C39 | H39 | 111.8° | 110.5° |
| C39 | O40 | HO40 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR9 | C08 | C07 | C02 | 0.1° | 0.1° |
| BR9 | C08 | C07 | C06 | 179.9° | 179.8° |
| BR9 | C08 | C07 | C10 | 179.9° | 180.0° |
| BR9 | C08 | C10 | N11 | 179.4° | 179.5° |
| BR9 | C08 | C10 | H10 | 0.6° | 0.0° |
| C02 | N01 | HN01 | HN0A | 120.0° | 179.8° |
| N01 | C02 | C07 | N03 | 180.0° | 179.7° |
| N01 | C02 | N03 | C04 | 179.9° | 179.9° |
| N01 | C02 | C07 | C06 | 179.9° | 179.8° |
| N01 | C02 | C07 | C08 | 0.3° | 0.1° |
| HN01 | N01 | C02 | C07 | 180.0° | 0.1° |
| HN01 | N01 | C02 | N03 | 0.0° | 179.8° |
| HN0A | N01 | C02 | C07 | 60.0° | 179.7° |
| HN0A | N01 | C02 | N03 | 120.0° | 0.0° |
| C07 | C02 | N03 | C04 | 0.1° | 0.2° |
| C02 | C07 | C06 | N05 | 0.1° | 0.5° |
| C02 | C07 | C06 | C08 | 179.8° | 179.8° |
| C02 | C07 | C06 | N11 | 179.5° | 179.6° |
| C02 | C07 | C08 | C10 | 180.0° | 179.9° |
| C02 | N03 | C04 | N05 | 0.3° | 0.1° |
| C02 | N03 | C04 | H04 | 179.7° | 180.0° |
| N03 | C02 | C07 | C06 | 0.1° | 0.5° |
| N03 | C02 | C07 | C08 | 179.7° | 179.8° |
| N03 | C04 | N05 | H04 | 180.0° | 179.9° |
| N03 | C04 | N05 | C06 | 0.2° | 0.1° |
| C04 | N05 | C06 | C07 | 0.0° | 0.2° |
| C04 | N05 | C06 | N11 | 179.2° | 180.0° |
| H04 | C04 | N05 | C06 | 179.8° | 179.9° |
| N05 | C06 | C07 | N11 | 179.4° | 179.8° |
| N05 | C06 | C07 | C08 | 179.7° | 179.7° |
| N05 | C06 | N11 | C10 | 179.8° | 179.4° |
| N05 | C06 | N11 | C12 | 2.2° | 0.0° |
| C06 | C07 | C08 | C10 | 0.2° | 0.2° |
| C07 | C06 | N11 | C10 | 0.8° | 0.5° |
| C07 | C06 | N11 | C12 | 178.4° | 179.8° |
| N11 | C06 | C07 | C08 | 0.4° | 0.1° |
| C06 | N11 | C10 | C08 | 0.9° | 0.6° |
| C06 | N11 | C10 | C12 | 177.6° | 179.3° |
| C06 | N11 | C10 | H10 | 179.1° | 179.9° |
| C06 | N11 | C12 | C39 | 126.5° | 88.1° |
| C06 | N11 | C12 | O13 | 115.7° | 156.5° |
| C06 | N11 | C12 | H12 | 5.0° | 34.3° |
| C07 | C08 | C10 | N11 | 0.7° | 0.5° |
| C07 | C08 | C10 | H10 | 179.3° | 180.0° |
| C08 | C10 | N11 | H10 | 180.0° | 179.5° |
| C08 | C10 | N11 | C12 | 178.6° | 179.9° |
| C10 | N11 | C12 | C39 | 50.7° | 91.1° |
| C10 | N11 | C12 | O13 | 67.1° | 24.2° |
| C10 | N11 | C12 | H12 | 172.2° | 146.5° |
| H10 | C10 | N11 | C12 | 1.4° | 0.5° |
| N11 | C12 | C39 | O13 | 121.0° | 118.8° |
| N11 | C12 | C39 | H12 | 121.9° | 122.3° |
| N11 | C12 | O13 | H12 | 120.1° | 122.2° |
| N11 | C12 | O13 | C14 | 167.4° | 159.4° |
| N11 | C12 | C39 | C37 | 158.2° | 142.7° |
| N11 | C12 | C39 | O40 | 81.9° | 98.6° |
| N11 | C12 | C39 | H39 | 41.7° | 24.1° |
| C39 | C12 | O13 | H12 | 116.0° | 119.0° |
| C39 | C12 | O13 | C14 | 43.4° | 40.5° |
| C12 | C39 | C37 | C14 | 17.3° | 0.0° |
| C12 | C39 | C37 | O40 | 117.7° | 118.7° |
| C12 | C39 | C37 | H39 | 116.7° | 118.6° |
| C12 | C39 | C37 | O38 | 101.4° | 118.7° |
| C12 | C39 | C37 | H37 | 133.6° | 118.6° |
| C12 | C39 | O40 | H39 | 122.6° | 122.7° |
| C12 | C39 | O40 | HO40 | 180.0° | 180.0° |
| C12 | O13 | C14 | C37 | 31.5° | 40.6° |
| C12 | O13 | C14 | C15 | 154.4° | 159.4° |
| C12 | O13 | C14 | H14 | 85.9° | 78.4° |
| O13 | C12 | C39 | C37 | 37.2° | 24.0° |
| O13 | C12 | C39 | O40 | 157.2° | 142.7° |
| O13 | C12 | C39 | H39 | 79.3° | 94.7° |
| H12 | C12 | O13 | C14 | 72.6° | 78.4° |
| H12 | C12 | C39 | C37 | 79.9° | 94.9° |
| H12 | C12 | C39 | O40 | 40.0° | 23.7° |
| H12 | C12 | C39 | H39 | 163.6° | 146.4° |
| O13 | C14 | C37 | C15 | 119.8° | 118.8° |
| O13 | C14 | C37 | H14 | 118.2° | 118.9° |
| O13 | C14 | C15 | H14 | 120.0° | 122.2° |
| O13 | C14 | C15 | N16 | 79.4° | 61.5° |
| O13 | C14 | C15 | H15 | 159.2° | 178.5° |
| O13 | C14 | C15 | H15A | 42.0° | 58.5° |
| O13 | C14 | C37 | C39 | 7.1° | 24.0° |
| O13 | C14 | C37 | O38 | 129.6° | 142.8° |
| O13 | C14 | C37 | H37 | 109.1° | 94.7° |
| C37 | C14 | C15 | H14 | 121.7° | 122.4° |
| C37 | C14 | C15 | N16 | 162.3° | 176.9° |
| C37 | C14 | C15 | H15 | 40.9° | 63.2° |
| C37 | C14 | C15 | H15A | 76.3° | 56.9° |
| C14 | C37 | C39 | O38 | 118.7° | 118.7° |
| C14 | C37 | C39 | H37 | 116.4° | 118.7° |
| C14 | C37 | O38 | H37 | 120.3° | 122.6° |
| C14 | C37 | O38 | HO38 | 180.0° | 180.0° |
| C14 | C37 | C39 | O40 | 134.9° | 118.7° |
| C14 | C37 | C39 | H39 | 99.5° | 118.7° |
| C14 | C15 | N16 | H15 | 121.4° | 120.0° |
| C14 | C15 | N16 | H15A | 121.4° | 120.1° |
| C14 | C15 | H15 | H15A | 115.6° | 120.1° |
| C14 | C15 | N16 | C34 | 124.0° | 164.0° |
| C14 | C15 | N16 | C17 | 109.6° | 72.1° |
| C15 | C14 | C37 | C39 | 126.9° | 142.8° |
| C15 | C14 | C37 | O38 | 110.6° | 98.4° |
| C15 | C14 | C37 | H37 | 10.6° | 24.2° |
| H14 | C14 | C15 | N16 | 40.6° | 60.7° |
| H14 | C14 | C15 | H15 | 80.8° | 59.2° |
| H14 | C14 | C15 | H15A | 162.0° | 179.3° |
| H14 | C14 | C37 | C39 | 111.1° | 94.8° |
| H14 | C14 | C37 | O38 | 11.4° | 23.9° |
| H14 | C14 | C37 | H37 | 132.6° | 146.5° |
| N16 | C15 | H15 | H15A | 115.6° | 120.0° |
| C15 | N16 | C34 | C17 | 125.3° | 124.0° |
| C15 | N16 | C17 | C18 | 72.8° | 170.0° |
| C15 | N16 | C17 | H17 | 48.0° | 50.0° |
| C15 | N16 | C17 | H17A | 166.5° | 70.0° |
| C15 | N16 | C34 | C36 | 46.3° | 69.6° |
| C15 | N16 | C34 | C35 | 80.2° | 50.4° |
| C15 | N16 | C34 | H34 | 163.3° | 170.4° |
| H15 | C15 | N16 | C34 | 114.6° | 76.1° |
| H15 | C15 | N16 | C17 | 11.8° | 47.9° |
| H15A | C15 | N16 | C34 | 2.6° | 43.9° |
| H15A | C15 | N16 | C17 | 129.0° | 167.9° |
| C34 | N16 | C17 | C18 | 164.3° | 66.0° |
| C34 | N16 | C17 | H17 | 75.0° | 174.0° |
| C34 | N16 | C17 | H17A | 43.6° | 54.0° |
| N16 | C34 | C36 | C35 | 125.6° | 120.0° |
| N16 | C34 | C36 | H34 | 117.4° | 120.1° |
| N16 | C34 | C35 | H34 | 116.9° | 120.0° |
| N16 | C34 | C35 | H35 | 180.0° | 60.0° |
| N16 | C34 | C35 | H35A | 60.0° | 180.0° |
| N16 | C34 | C35 | H35B | 60.0° | 60.0° |
| N16 | C34 | C36 | H36 | 180.0° | 64.8° |
| N16 | C34 | C36 | H36A | 60.0° | 175.2° |
| N16 | C34 | C36 | H36B | 60.0° | 55.1° |
| N16 | C17 | C18 | H17 | 120.7° | 119.9° |
| N16 | C17 | C18 | H17A | 120.7° | 120.0° |
| N16 | C17 | H17 | H17A | 117.7° | 120.0° |
| N16 | C17 | C18 | C19 | 134.8° | 180.0° |
| N16 | C17 | C18 | H18 | 14.0° | 60.1° |
| N16 | C17 | C18 | H18A | 104.4° | 60.0° |
| C17 | N16 | C34 | C36 | 79.0° | 166.4° |
| C17 | N16 | C34 | C35 | 154.5° | 73.6° |
| C17 | N16 | C34 | H34 | 38.0° | 46.3° |
| C18 | C17 | H17 | H17A | 117.7° | 120.1° |
| C17 | C18 | C19 | H18 | 120.8° | 120.0° |
| C17 | C18 | C19 | H18A | 120.8° | 120.1° |
| C17 | C18 | H18 | H18A | 117.5° | 120.1° |
| C17 | C18 | C19 | N20 | 55.4° | 180.0° |
| C17 | C18 | C19 | H19 | 175.8° | 60.0° |
| C17 | C18 | C19 | H19A | 64.9° | 59.9° |
| H17 | C17 | C18 | C19 | 104.5° | 60.1° |
| H17 | C17 | C18 | H18 | 134.7° | 180.0° |
| H17 | C17 | C18 | H18A | 16.3° | 60.0° |
| H17A | C17 | C18 | C19 | 14.1° | 60.0° |
| H17A | C17 | C18 | H18 | 106.7° | 60.0° |
| H17A | C17 | C18 | H18A | 134.9° | 180.0° |
| C19 | C18 | H18 | H18A | 117.5° | 120.0° |
| C18 | C19 | N20 | H19 | 120.4° | 120.0° |
| C18 | C19 | N20 | H19A | 120.4° | 120.0° |
| C18 | C19 | H19 | H19A | 118.9° | 120.0° |
| C18 | C19 | N20 | C21 | 99.1° | 180.0° |
| C18 | C19 | N20 | HN20 | 80.9° | 0.0° |
| H18 | C18 | C19 | N20 | 65.4° | 60.0° |
| H18 | C18 | C19 | H19 | 55.0° | 180.0° |
| H18 | C18 | C19 | H19A | 174.3° | 60.0° |
| H18A | C18 | C19 | N20 | 176.2° | 60.0° |
| H18A | C18 | C19 | H19 | 63.4° | 60.1° |
| H18A | C18 | C19 | H19A | 55.9° | 180.0° |
| N20 | C19 | H19 | H19A | 118.9° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O33 | 0.5° | 0.1° |
| C19 | N20 | C21 | N22 | 179.3° | 180.0° |
| H19 | C19 | N20 | C21 | 140.5° | 60.0° |
| H19 | C19 | N20 | HN20 | 39.5° | 120.0° |
| H19A | C19 | N20 | C21 | 21.2° | 60.0° |
| H19A | C19 | N20 | HN20 | 158.8° | 120.0° |
| N20 | C21 | O33 | N22 | 179.8° | 179.9° |
| N20 | C21 | N22 | C23 | 179.6° | 175.3° |
| N20 | C21 | N22 | HN22 | 0.3° | 4.7° |
| HN20 | N20 | C21 | O33 | 179.5° | 179.9° |
| HN20 | N20 | C21 | N22 | 0.7° | 0.0° |
| O33 | C21 | N22 | C23 | 0.6° | 4.7° |
| O33 | C21 | N22 | HN22 | 179.5° | 175.3° |
| C21 | N22 | C23 | HN22 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 14.0° | 35.3° |
| C21 | N22 | C23 | C32 | 166.2° | 144.9° |
| N22 | C23 | C24 | C32 | 179.9° | 179.7° |
| N22 | C23 | C24 | C25 | 179.7° | 180.0° |
| N22 | C23 | C24 | H24 | 0.2° | 0.1° |
| N22 | C23 | C32 | C31 | 179.6° | 179.7° |
| N22 | C23 | C32 | H32 | 0.4° | 0.0° |
| HN22 | N22 | C23 | C24 | 166.0° | 144.7° |
| HN22 | N22 | C23 | C32 | 13.9° | 35.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C23 | C32 | C31 | 0.3° | 0.5° |
| C24 | C23 | C32 | H32 | 179.7° | 179.7° |
| C32 | C23 | C24 | C25 | 0.2° | 0.2° |
| C32 | C23 | C24 | H24 | 179.9° | 179.8° |
| C23 | C32 | C31 | C26 | 0.2° | 0.6° |
| C23 | C32 | C31 | H32 | 180.0° | 179.8° |
| C23 | C32 | C31 | H31 | 179.8° | 179.8° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C31 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C26 | C31 | C27 | 179.6° | 180.0° |
| C25 | C26 | C27 | C28 | 117.8° | 180.0° |
| C25 | C26 | C27 | C30 | 3.2° | 60.0° |
| C25 | C26 | C27 | C29 | 121.9° | 60.0° |
| C25 | C26 | C31 | C32 | 0.0° | 0.3° |
| C25 | C26 | C31 | H31 | 180.0° | 180.0° |
| H25 | C25 | C26 | C31 | 179.9° | 179.9° |
| H25 | C25 | C26 | C27 | 0.3° | 0.0° |
| C31 | C26 | C27 | C28 | 61.7° | 0.0° |
| C31 | C26 | C27 | C30 | 177.3° | 120.0° |
| C31 | C26 | C27 | C29 | 58.5° | 120.0° |
| C26 | C31 | C32 | H31 | 180.0° | 179.7° |
| C26 | C31 | C32 | H32 | 179.8° | 179.7° |
| C26 | C27 | C28 | C30 | 121.2° | 120.0° |
| C26 | C27 | C28 | C29 | 121.6° | 120.0° |
| C26 | C27 | C30 | C29 | 121.0° | 120.0° |
| C26 | C27 | C28 | H28 | 180.0° | 60.0° |
| C26 | C27 | C28 | H28A | 60.0° | 180.0° |
| C26 | C27 | C28 | H28B | 60.0° | 60.0° |
| C26 | C27 | C29 | H29 | 180.0° | 59.9° |
| C26 | C27 | C29 | H29A | 60.0° | 180.0° |
| C26 | C27 | C29 | H29B | 60.0° | 60.0° |
| C26 | C27 | C30 | H30 | 180.0° | 60.0° |
| C26 | C27 | C30 | H30A | 60.0° | 180.0° |
| C26 | C27 | C30 | H30B | 60.0° | 60.0° |
| C27 | C26 | C31 | C32 | 179.5° | 179.7° |
| C27 | C26 | C31 | H31 | 0.5° | 0.0° |
| C28 | C27 | C30 | C29 | 118.1° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C28 | C27 | C29 | H29 | 59.3° | 180.0° |
| C28 | C27 | C29 | H29A | 60.7° | 60.0° |
| C28 | C27 | C29 | H29B | 179.3° | 60.0° |
| C28 | C27 | C30 | H30 | 59.1° | 60.0° |
| C28 | C27 | C30 | H30A | 179.1° | 60.0° |
| C28 | C27 | C30 | H30B | 60.8° | 180.0° |
| C30 | C27 | C28 | H28 | 58.7° | 180.0° |
| C30 | C27 | C28 | H28A | 61.3° | 60.0° |
| C30 | C27 | C28 | H28B | 178.7° | 60.0° |
| C30 | C27 | C29 | H29 | 59.5° | 60.0° |
| C30 | C27 | C29 | H29A | 179.5° | 60.0° |
| C30 | C27 | C29 | H29B | 60.5° | 180.0° |
| C27 | C30 | H30 | H30A | 120.0° | 120.0° |
| C27 | C30 | H30 | H30B | 120.0° | 120.0° |
| C27 | C30 | H30A | H30B | 120.0° | 120.1° |
| C29 | C27 | C28 | H28 | 58.4° | 60.0° |
| C29 | C27 | C28 | H28A | 178.4° | 59.9° |
| C29 | C27 | C28 | H28B | 61.6° | 180.0° |
| C27 | C29 | H29 | H29A | 120.0° | 120.1° |
| C27 | C29 | H29 | H29B | 120.0° | 120.0° |
| C27 | C29 | H29A | H29B | 120.0° | 120.0° |
| C29 | C27 | C30 | H30 | 59.0° | 180.0° |
| C29 | C27 | C30 | H30A | 61.0° | 60.0° |
| C29 | C27 | C30 | H30B | 178.9° | 60.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| C36 | C34 | C35 | H34 | 117.1° | 119.9° |
| C36 | C34 | C35 | H35 | 53.9° | 60.1° |
| C36 | C34 | C35 | H35A | 66.1° | 60.0° |
| C36 | C34 | C35 | H35B | 173.9° | 180.0° |
| C34 | C36 | H36 | H36A | 120.0° | 120.0° |
| C34 | C36 | H36 | H36B | 120.0° | 119.9° |
| C34 | C36 | H36A | H36B | 120.0° | 120.0° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 119.9° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C34 | C36 | H36 | 54.4° | 175.2° |
| C35 | C34 | C36 | H36A | 174.5° | 55.2° |
| C35 | C34 | C36 | H36B | 65.6° | 64.9° |
| H34 | C34 | C35 | H35 | 63.2° | 180.0° |
| H34 | C34 | C35 | H35A | 176.9° | 60.0° |
| H34 | C34 | C35 | H35B | 56.8° | 60.1° |
| H34 | C34 | C36 | H36 | 62.6° | 55.3° |
| H34 | C34 | C36 | H36A | 57.4° | 64.7° |
| H34 | C34 | C36 | H36B | 177.4° | 175.2° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| C39 | C37 | O38 | H37 | 124.0° | 122.7° |
| C39 | C37 | O38 | HO38 | 64.2° | 65.3° |
| C37 | C39 | O40 | H39 | 124.5° | 122.6° |
| C37 | C39 | O40 | HO40 | 67.1° | 65.3° |
| O38 | C37 | C39 | O40 | 16.2° | 0.0° |
| O38 | C37 | C39 | H39 | 141.8° | 122.7° |
| H37 | C37 | O38 | HO38 | 59.8° | 57.4° |
| H37 | C37 | C39 | O40 | 108.7° | 122.7° |
| H37 | C37 | C39 | H39 | 16.9° | 0.0° |
| H39 | C39 | O40 | HO40 | 57.4° | 57.3° |
