A1BW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | doub | 1.31Å | 1.25Å | |
| N03 | C02 | sing | 1.37Å | 1.47Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C11 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| F13 | C12 | sing | 1.35Å | 1.36Å | |
| C14 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C16 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.50Å | 1.56Å | |
| C20 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| N21 | C20 | sing | 1.33Å | 1.36Å | Aromatic |
| N22 | N21 | doub | 1.29Å | 1.37Å | Aromatic |
| N23 | N22 | sing | 1.29Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | O28 | sing | 1.43Å | 1.40Å | |
| O28 | C27 | sing | 1.36Å | 1.41Å | |
| C30 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | O32 | sing | 1.43Å | 1.40Å | |
| O32 | C31 | sing | 1.36Å | 1.40Å | |
| C34 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.50Å | 1.55Å | |
| C35 | C16 | sing | 1.40Å | 1.35Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| C37 | N03 | sing | 1.39Å | 1.44Å | |
| C38 | C37 | doub | 1.33Å | 1.50Å | |
| N39 | C38 | sing | 1.39Å | 1.43Å | |
| C40 | N39 | sing | 1.46Å | 1.46Å | |
| C02 | N39 | sing | 1.37Å | 1.48Å | |
| C05 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | N23 | sing | 1.34Å | 1.35Å | Aromatic |
| C20 | C35 | sing | 1.48Å | 1.40Å | |
| C25 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 125.1° | 126.3° |
| N01 | C02 | N39 | 126.2° | 126.3° |
| C02 | N01 | H1 | 112.0° | 120.0° |
| C02 | N03 | C04 | 126.4° | 126.1° |
| C02 | N03 | C37 | 106.9° | 107.8° |
| N03 | C02 | N39 | 108.7° | 107.4° |
| C04 | C05 | C06 | 118.9° | 120.0° |
| C05 | C04 | N03 | 109.1° | 109.5° |
| C04 | C05 | C36 | 121.2° | 119.9° |
| C05 | C04 | H3 | 109.6° | 109.5° |
| C05 | C04 | H2 | 109.6° | 109.6° |
| C05 | C06 | C07 | 120.1° | 120.4° |
| C06 | C05 | C36 | 119.9° | 120.0° |
| C05 | C06 | H4 | 119.9° | 119.8° |
| C06 | C07 | C08 | 116.8° | 120.0° |
| C06 | C07 | C16 | 120.6° | 120.0° |
| C07 | C06 | H4 | 119.9° | 119.8° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C08 | C09 | C11 | 118.5° | 119.9° |
| C09 | C08 | C07 | 124.3° | 120.1° |
| C09 | C08 | C15 | 120.9° | 119.8° |
| C10 | C09 | C11 | 121.0° | 120.0° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C09 | C10 | H7 | 109.4° | 109.4° |
| C09 | C10 | H5 | 109.5° | 109.4° |
| C09 | C11 | C12 | 119.9° | 120.1° |
| C09 | C11 | H8 | 120.1° | 119.9° |
| C11 | C12 | F13 | 122.1° | 119.9° |
| C11 | C12 | C14 | 120.7° | 120.2° |
| C12 | C11 | H8 | 120.0° | 119.9° |
| F13 | C12 | C14 | 117.2° | 119.9° |
| C12 | C14 | C15 | 119.5° | 120.1° |
| C12 | C14 | H9 | 120.3° | 120.0° |
| C14 | C15 | C08 | 120.6° | 119.9° |
| C15 | C14 | H9 | 120.3° | 119.9° |
| C14 | C15 | H10 | 119.7° | 120.0° |
| C08 | C07 | C16 | 122.5° | 120.0° |
| C07 | C08 | C15 | 114.8° | 120.1° |
| C07 | C16 | C17 | 119.8° | 120.0° |
| C07 | C16 | C35 | 119.0° | 118.9° |
| C17 | C18 | C19 | 110.1° | 109.8° |
| C18 | C17 | C16 | 110.7° | 112.7° |
| C18 | C17 | H12 | 109.2° | 108.8° |
| C18 | C17 | H11 | 109.2° | 108.7° |
| C17 | C18 | H13 | 109.3° | 109.4° |
| C17 | C18 | H14 | 109.3° | 109.4° |
| C18 | C19 | C20 | 120.9° | 122.1° |
| C18 | C19 | N23 | 130.9° | 131.8° |
| C19 | C18 | H13 | 109.3° | 109.4° |
| C19 | C18 | H14 | 109.3° | 109.4° |
| C19 | C20 | N21 | 107.5° | 106.6° |
| C20 | C19 | N23 | 108.3° | 106.1° |
| C19 | C20 | C35 | 121.2° | 120.5° |
| C20 | N21 | N22 | 108.2° | 108.4° |
| N21 | C20 | C35 | 131.3° | 132.9° |
| N21 | N22 | N23 | 107.7° | 110.6° |
| N22 | N23 | C24 | 126.1° | 125.8° |
| N22 | N23 | C19 | 108.3° | 108.2° |
| N23 | C24 | C25 | 111.0° | 109.5° |
| C24 | N23 | C19 | 125.6° | 125.9° |
| N23 | C24 | H15 | 109.1° | 109.5° |
| N23 | C24 | H16 | 109.1° | 109.5° |
| C24 | C25 | C26 | 121.9° | 120.0° |
| C24 | C25 | C34 | 118.4° | 119.9° |
| C25 | C24 | H15 | 109.1° | 109.4° |
| C25 | C24 | H16 | 109.1° | 109.5° |
| C25 | C26 | C27 | 119.3° | 120.1° |
| C26 | C25 | C34 | 119.8° | 120.1° |
| C25 | C26 | H17 | 120.4° | 120.0° |
| C26 | C27 | O28 | 122.0° | 120.1° |
| C26 | C27 | C30 | 120.3° | 120.0° |
| C27 | C26 | H17 | 120.4° | 119.9° |
| C29 | O28 | C27 | 115.5° | 117.0° |
| O28 | C29 | H18 | 109.5° | 109.4° |
| O28 | C29 | H20 | 109.4° | 109.5° |
| O28 | C29 | H19 | 109.5° | 109.5° |
| O28 | C27 | C30 | 117.6° | 120.0° |
| C27 | C30 | C31 | 120.2° | 119.8° |
| C27 | C30 | H21 | 119.9° | 120.1° |
| C30 | C31 | O32 | 119.4° | 120.0° |
| C30 | C31 | C34 | 119.7° | 119.9° |
| C31 | C30 | H21 | 119.9° | 120.1° |
| C33 | O32 | C31 | 114.6° | 117.0° |
| O32 | C33 | H24 | 109.5° | 109.5° |
| O32 | C33 | H22 | 109.5° | 109.4° |
| O32 | C33 | H23 | 109.5° | 109.5° |
| O32 | C31 | C34 | 120.9° | 120.1° |
| C31 | C34 | C25 | 120.7° | 120.1° |
| C31 | C34 | H25 | 119.7° | 119.9° |
| C17 | C16 | C35 | 121.2° | 121.1° |
| C16 | C17 | H12 | 109.2° | 108.8° |
| C16 | C17 | H11 | 109.2° | 108.9° |
| C16 | C35 | C36 | 121.0° | 120.7° |
| C16 | C35 | C20 | 121.2° | 117.3° |
| C35 | C36 | C05 | 119.4° | 119.9° |
| C36 | C35 | C20 | 117.8° | 122.0° |
| C35 | C36 | H26 | 120.3° | 120.0° |
| C04 | N03 | C37 | 126.6° | 126.1° |
| N03 | C04 | H3 | 109.6° | 109.4° |
| N03 | C04 | H2 | 109.6° | 109.4° |
| N03 | C37 | C38 | 108.8° | 108.5° |
| N03 | C37 | H27 | 125.6° | 125.7° |
| C37 | C38 | N39 | 107.8° | 108.5° |
| C38 | C37 | H27 | 125.6° | 125.7° |
| C37 | C38 | H28 | 126.1° | 125.8° |
| C38 | N39 | C40 | 125.4° | 126.1° |
| C38 | N39 | C02 | 107.7° | 107.8° |
| N39 | C38 | H28 | 126.1° | 125.7° |
| C40 | N39 | C02 | 126.8° | 126.1° |
| N39 | C40 | H29 | 109.5° | 109.5° |
| N39 | C40 | H31 | 109.4° | 109.4° |
| N39 | C40 | H30 | 109.4° | 109.5° |
| C05 | C36 | H26 | 120.3° | 120.1° |
| C08 | C15 | H10 | 119.7° | 120.1° |
| C25 | C34 | H25 | 119.6° | 120.0° |
| H3 | C04 | H2 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H5 | 109.5° | 109.5° |
| H7 | C10 | H5 | 109.5° | 109.5° |
| H12 | C17 | H11 | 109.5° | 108.8° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H20 | C29 | H19 | 109.5° | 109.5° |
| H24 | C33 | H22 | 109.4° | 109.5° |
| H24 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.4° |
| H29 | C40 | H31 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C40 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | N39 | 179.3° | 179.7° |
| N01 | C02 | N03 | C04 | 0.7° | 0.0° |
| N01 | C02 | N03 | C37 | 179.9° | 180.0° |
| N01 | C02 | N39 | C38 | 179.7° | 180.0° |
| N01 | C02 | N39 | C40 | 0.1° | 0.0° |
| C02 | N03 | C04 | C05 | 121.2° | 90.0° |
| C02 | N03 | C04 | C37 | 179.1° | 180.0° |
| C02 | N03 | C37 | C38 | 0.9° | 0.2° |
| N03 | C02 | N39 | C38 | 0.3° | 0.3° |
| N03 | C02 | N39 | C40 | 179.2° | 179.7° |
| C02 | N03 | C04 | H3 | 118.9° | 150.0° |
| C02 | N03 | C04 | H2 | 1.2° | 30.0° |
| C02 | N03 | C37 | H27 | 179.1° | 179.9° |
| N03 | C02 | N01 | H1 | 179.2° | 179.7° |
| C04 | C05 | C06 | C36 | 179.8° | 179.7° |
| C04 | C05 | C06 | C07 | 179.3° | 179.1° |
| C04 | C05 | C36 | C35 | 179.7° | 179.8° |
| C05 | C04 | N03 | H3 | 119.9° | 120.0° |
| C05 | C04 | N03 | H2 | 119.9° | 120.1° |
| C05 | C04 | N03 | C37 | 57.9° | 90.0° |
| C05 | C04 | H3 | H2 | 120.2° | 120.1° |
| C04 | C05 | C06 | H4 | 0.7° | 0.8° |
| C04 | C05 | C36 | H26 | 0.2° | 0.0° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 178.2° | 179.5° |
| C05 | C06 | C07 | C16 | 2.2° | 0.6° |
| C06 | C05 | C36 | C35 | 0.4° | 0.5° |
| C06 | C05 | C04 | N03 | 87.7° | 89.7° |
| C06 | C05 | C04 | H3 | 32.2° | 30.2° |
| C06 | C05 | C04 | H2 | 152.4° | 150.3° |
| C06 | C05 | C36 | H26 | 179.6° | 179.7° |
| C06 | C07 | C08 | C09 | 75.7° | 111.8° |
| C06 | C07 | C08 | C16 | 175.9° | 179.9° |
| C06 | C07 | C16 | C17 | 178.6° | 177.9° |
| C06 | C07 | C16 | C35 | 3.0° | 0.7° |
| C07 | C06 | C05 | C36 | 0.9° | 1.2° |
| C06 | C07 | C08 | C15 | 101.8° | 68.6° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C08 | C09 | C11 | C12 | 0.5° | 0.0° |
| C09 | C08 | C15 | C14 | 0.6° | 0.7° |
| C09 | C08 | C07 | C15 | 177.4° | 179.6° |
| C09 | C08 | C07 | C16 | 108.4° | 68.1° |
| C08 | C09 | C10 | H6 | 90.1° | 95.0° |
| C08 | C09 | C10 | H7 | 149.9° | 145.0° |
| C08 | C09 | C10 | H5 | 29.9° | 25.0° |
| C08 | C09 | C11 | H8 | 179.5° | 180.0° |
| C09 | C08 | C15 | H10 | 179.4° | 179.7° |
| C10 | C09 | C11 | C12 | 179.6° | 179.9° |
| C10 | C09 | C08 | C07 | 2.3° | 0.0° |
| C10 | C09 | C08 | C15 | 179.5° | 179.6° |
| C09 | C10 | H6 | H7 | 120.0° | 120.0° |
| C09 | C10 | H6 | H5 | 120.0° | 120.0° |
| C09 | C10 | H7 | H5 | 120.0° | 120.0° |
| C10 | C09 | C11 | H8 | 0.4° | 0.1° |
| C09 | C11 | C12 | H8 | 180.0° | 180.0° |
| C09 | C11 | C12 | F13 | 179.3° | 180.0° |
| C09 | C11 | C12 | C14 | 0.5° | 0.1° |
| C11 | C09 | C08 | C07 | 177.9° | 179.9° |
| C11 | C09 | C08 | C15 | 0.6° | 0.3° |
| C11 | C09 | C10 | H6 | 90.1° | 85.0° |
| C11 | C09 | C10 | H7 | 29.9° | 35.0° |
| C11 | C09 | C10 | H5 | 149.9° | 155.0° |
| C11 | C12 | F13 | C14 | 178.9° | 179.9° |
| C11 | C12 | C14 | C15 | 0.5° | 0.4° |
| C11 | C12 | C14 | H9 | 179.5° | 180.0° |
| F13 | C12 | C14 | C15 | 179.3° | 179.7° |
| F13 | C12 | C11 | H8 | 0.7° | 0.0° |
| F13 | C12 | C14 | H9 | 0.6° | 0.1° |
| C12 | C14 | C15 | H9 | 180.0° | 179.6° |
| C12 | C14 | C15 | C08 | 0.6° | 0.7° |
| C14 | C12 | C11 | H8 | 179.6° | 180.0° |
| C12 | C14 | C15 | H10 | 179.5° | 179.7° |
| C14 | C15 | C08 | C07 | 178.2° | 179.7° |
| C14 | C15 | C08 | H10 | 180.0° | 179.6° |
| C08 | C07 | C16 | C17 | 2.8° | 2.1° |
| C08 | C07 | C16 | C35 | 178.8° | 179.2° |
| C08 | C07 | C06 | H4 | 1.8° | 0.4° |
| C07 | C08 | C15 | H10 | 1.9° | 0.1° |
| C07 | C16 | C17 | C18 | 149.0° | 147.0° |
| C07 | C16 | C17 | C35 | 178.4° | 178.6° |
| C07 | C16 | C35 | C36 | 2.6° | 1.4° |
| C16 | C07 | C08 | C15 | 74.2° | 111.5° |
| C07 | C16 | C35 | C20 | 179.3° | 177.9° |
| C16 | C07 | C06 | H4 | 177.8° | 179.5° |
| C07 | C16 | C17 | H12 | 28.8° | 92.1° |
| C07 | C16 | C17 | H11 | 90.8° | 26.3° |
| C17 | C18 | C19 | H13 | 120.1° | 120.0° |
| C17 | C18 | C19 | H14 | 120.1° | 120.1° |
| C17 | C18 | C19 | C20 | 27.6° | 31.5° |
| C18 | C17 | C16 | H12 | 120.2° | 120.8° |
| C18 | C17 | C16 | H11 | 120.2° | 120.7° |
| C18 | C17 | C16 | C35 | 32.6° | 34.4° |
| C17 | C18 | C19 | N23 | 151.5° | 148.7° |
| C18 | C17 | H12 | H11 | 119.5° | 118.3° |
| C17 | C18 | H13 | H14 | 119.7° | 119.9° |
| C18 | C19 | C20 | N23 | 179.2° | 179.8° |
| C18 | C19 | C20 | N21 | 179.8° | 178.9° |
| C18 | C19 | N23 | N22 | 179.7° | 179.0° |
| C18 | C19 | N23 | C24 | 0.1° | 1.1° |
| C19 | C18 | C17 | C16 | 41.9° | 45.7° |
| C18 | C19 | C20 | C35 | 2.6° | 1.3° |
| C19 | C18 | C17 | H12 | 162.0° | 75.1° |
| C19 | C18 | C17 | H11 | 78.3° | 166.5° |
| C19 | C18 | H13 | H14 | 119.7° | 119.8° |
| C19 | C20 | N21 | C35 | 176.7° | 179.7° |
| C19 | C20 | N21 | N22 | 1.1° | 0.7° |
| C20 | C19 | N23 | N22 | 0.6° | 0.8° |
| C20 | C19 | N23 | C24 | 179.1° | 179.1° |
| C19 | C20 | C35 | C16 | 17.0° | 14.3° |
| C19 | C20 | C35 | C36 | 159.9° | 165.0° |
| C20 | C19 | C18 | H13 | 147.7° | 151.6° |
| C20 | C19 | C18 | H14 | 92.5° | 88.6° |
| C20 | N21 | N22 | N23 | 0.7° | 0.2° |
| N21 | C20 | C35 | C16 | 166.7° | 165.4° |
| N21 | C20 | C35 | C36 | 16.5° | 15.3° |
| N21 | C20 | C19 | N23 | 1.0° | 0.9° |
| N21 | N22 | N23 | C24 | 179.7° | 179.5° |
| N21 | N22 | N23 | C19 | 0.1° | 0.4° |
| N22 | N21 | C20 | C35 | 177.8° | 179.0° |
| N22 | N23 | C24 | C19 | 179.6° | 180.0° |
| N22 | N23 | C24 | C25 | 79.8° | 90.0° |
| N22 | N23 | C24 | H15 | 40.4° | 150.0° |
| N22 | N23 | C24 | H16 | 160.0° | 30.0° |
| N23 | C24 | C25 | H15 | 120.2° | 120.0° |
| N23 | C24 | C25 | H16 | 120.2° | 120.1° |
| N23 | C24 | C25 | C26 | 19.9° | 89.7° |
| N23 | C24 | C25 | C34 | 160.5° | 90.1° |
| N23 | C24 | H15 | H16 | 119.3° | 120.1° |
| C24 | C25 | C26 | C34 | 179.6° | 179.8° |
| C24 | C25 | C26 | C27 | 179.5° | 180.0° |
| C24 | C25 | C34 | C31 | 179.9° | 179.8° |
| C25 | C24 | N23 | C19 | 100.6° | 90.0° |
| C25 | C24 | H15 | H16 | 119.3° | 120.0° |
| C24 | C25 | C26 | H17 | 0.4° | 0.0° |
| C24 | C25 | C34 | H25 | 0.1° | 0.0° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | O28 | 179.9° | 180.0° |
| C25 | C26 | C27 | C30 | 0.4° | 0.0° |
| C26 | C25 | C34 | C31 | 0.3° | 0.5° |
| C26 | C25 | C24 | H15 | 140.1° | 30.3° |
| C26 | C25 | C24 | H16 | 100.3° | 150.2° |
| C26 | C25 | C34 | H25 | 179.7° | 179.7° |
| C26 | C27 | O28 | C29 | 14.3° | 180.0° |
| C26 | C27 | O28 | C30 | 179.6° | 179.9° |
| C26 | C27 | C30 | C31 | 0.3° | 0.0° |
| C27 | C26 | C25 | C34 | 0.0° | 0.2° |
| C26 | C27 | C30 | H21 | 179.7° | 180.0° |
| C29 | O28 | C27 | C30 | 165.3° | 0.1° |
| O28 | C29 | H18 | H20 | 120.0° | 120.0° |
| O28 | C29 | H18 | H19 | 120.0° | 120.0° |
| O28 | C29 | H20 | H19 | 120.0° | 120.1° |
| O28 | C27 | C30 | C31 | 179.9° | 180.0° |
| O28 | C27 | C26 | H17 | 0.1° | 0.0° |
| C27 | O28 | C29 | H18 | 180.0° | 60.0° |
| C27 | O28 | C29 | H20 | 60.0° | 180.0° |
| C27 | O28 | C29 | H19 | 60.0° | 59.9° |
| O28 | C27 | C30 | H21 | 0.1° | 0.0° |
| C27 | C30 | C31 | H21 | 180.0° | 180.0° |
| C27 | C30 | C31 | O32 | 179.7° | 180.0° |
| C27 | C30 | C31 | C34 | 0.0° | 0.2° |
| C30 | C27 | C26 | H17 | 179.7° | 180.0° |
| C30 | C31 | O32 | C33 | 156.9° | 0.0° |
| C30 | C31 | O32 | C34 | 179.6° | 179.8° |
| C30 | C31 | C34 | C25 | 0.4° | 0.5° |
| C30 | C31 | C34 | H25 | 179.6° | 179.7° |
| C33 | O32 | C31 | C34 | 23.5° | 179.8° |
| O32 | C33 | H24 | H22 | 120.0° | 120.0° |
| O32 | C33 | H24 | H23 | 120.0° | 120.0° |
| O32 | C33 | H22 | H23 | 120.0° | 119.9° |
| O32 | C31 | C34 | C25 | 180.0° | 179.8° |
| O32 | C31 | C30 | H21 | 0.3° | 0.0° |
| C31 | O32 | C33 | H24 | 180.0° | 60.0° |
| C31 | O32 | C33 | H22 | 60.0° | 60.0° |
| C31 | O32 | C33 | H23 | 60.0° | 180.0° |
| O32 | C31 | C34 | H25 | 0.0° | 0.1° |
| C31 | C34 | C25 | H25 | 180.0° | 179.8° |
| C34 | C31 | C30 | H21 | 180.0° | 179.8° |
| C17 | C16 | C35 | C36 | 179.0° | 177.2° |
| C17 | C16 | C35 | C20 | 2.3° | 3.5° |
| C16 | C17 | H12 | H11 | 119.5° | 118.5° |
| C16 | C17 | C18 | H13 | 162.0° | 165.8° |
| C16 | C17 | C18 | H14 | 78.2° | 74.3° |
| C16 | C35 | C36 | C20 | 176.9° | 179.3° |
| C16 | C35 | C36 | C05 | 1.3° | 0.8° |
| C35 | C16 | C17 | H12 | 152.8° | 86.5° |
| C35 | C16 | C17 | H11 | 87.5° | 155.1° |
| C16 | C35 | C36 | H26 | 178.7° | 179.0° |
| C35 | C36 | C05 | H26 | 180.0° | 179.8° |
| C04 | N03 | C37 | C38 | 179.9° | 179.8° |
| C04 | N03 | C02 | N39 | 180.0° | 179.7° |
| N03 | C04 | C05 | C36 | 92.1° | 90.0° |
| N03 | C04 | H3 | H2 | 120.2° | 119.9° |
| C04 | N03 | C37 | H27 | 0.1° | 0.1° |
| N03 | C37 | C38 | H27 | 180.0° | 179.9° |
| N03 | C37 | C38 | N39 | 0.7° | 0.0° |
| C37 | N03 | C02 | N39 | 0.8° | 0.3° |
| C37 | N03 | C04 | H3 | 62.0° | 30.0° |
| C37 | N03 | C04 | H2 | 177.8° | 149.9° |
| N03 | C37 | C38 | H28 | 179.3° | 179.9° |
| C37 | C38 | N39 | H28 | 180.0° | 180.0° |
| C37 | C38 | N39 | C40 | 179.8° | 179.8° |
| C37 | C38 | N39 | C02 | 0.2° | 0.2° |
| C38 | N39 | C40 | C02 | 179.5° | 180.0° |
| N39 | C38 | C37 | H27 | 179.3° | 179.9° |
| C38 | N39 | C40 | H29 | 180.0° | 90.0° |
| C38 | N39 | C40 | H31 | 60.0° | 30.0° |
| C38 | N39 | C40 | H30 | 60.0° | 150.0° |
| C40 | N39 | C38 | H28 | 0.2° | 0.2° |
| N39 | C40 | H29 | H31 | 120.0° | 120.0° |
| N39 | C40 | H29 | H30 | 120.0° | 120.0° |
| N39 | C40 | H31 | H30 | 120.0° | 120.0° |
| C02 | N39 | C38 | H28 | 179.8° | 179.8° |
| C02 | N39 | C40 | H29 | 0.5° | 90.0° |
| C02 | N39 | C40 | H31 | 120.6° | 150.0° |
| C02 | N39 | C40 | H30 | 119.5° | 30.0° |
| N39 | C02 | N01 | H1 | 0.0° | 0.1° |
| C05 | C36 | C35 | C20 | 178.2° | 178.4° |
| C36 | C05 | C04 | H3 | 148.0° | 150.1° |
| C36 | C05 | C04 | H2 | 27.8° | 30.0° |
| C36 | C05 | C06 | H4 | 179.1° | 178.9° |
| C08 | C15 | C14 | H9 | 179.4° | 179.7° |
| N23 | C19 | C20 | C35 | 178.1° | 178.8° |
| N23 | C19 | C18 | H13 | 31.3° | 28.6° |
| N23 | C19 | C18 | H14 | 88.5° | 91.2° |
| C19 | N23 | C24 | H15 | 139.2° | 30.0° |
| C19 | N23 | C24 | H16 | 19.6° | 150.0° |
| C20 | C35 | C36 | H26 | 1.8° | 1.8° |
| C34 | C25 | C24 | H15 | 40.3° | 150.0° |
| C34 | C25 | C24 | H16 | 79.3° | 30.0° |
| C34 | C25 | C26 | H17 | 180.0° | 179.8° |
| H6 | C10 | H7 | H5 | 120.0° | 120.0° |
| H9 | C14 | C15 | H10 | 0.6° | 0.0° |
| H12 | C17 | C18 | H13 | 77.9° | 44.9° |
| H12 | C17 | C18 | H14 | 42.0° | 164.8° |
| H11 | C17 | C18 | H13 | 41.8° | 73.4° |
| H11 | C17 | C18 | H14 | 161.6° | 46.5° |
| H18 | C29 | H20 | H19 | 120.0° | 120.0° |
| H24 | C33 | H22 | H23 | 120.0° | 120.1° |
| H27 | C37 | C38 | H28 | 0.7° | 0.1° |
| H29 | C40 | H31 | H30 | 120.0° | 120.1° |
