QAA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
C30 | C31 | sing | 1.51Å | 1.53Å | |
C30 | C29 | sing | 1.51Å | 1.52Å | |
C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
N28 | C29 | sing | 1.35Å | 1.43Å | |
N28 | C27 | sing | 1.40Å | 1.39Å | |
C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
C29 | O37 | doub | 1.21Å | 1.22Å | |
C27 | N38 | doub | 1.32Å | 1.34Å | Aromatic |
C02 | C01 | sing | 1.53Å | 1.52Å | |
C02 | N03 | sing | 1.47Å | 1.47Å | |
C01 | C06 | sing | 1.53Å | 1.48Å | |
C24 | N03 | sing | 1.39Å | 1.45Å | |
C24 | N39 | doub | 1.32Å | 1.36Å | Aromatic |
N38 | N39 | sing | 1.28Å | 1.35Å | Aromatic |
N03 | C04 | sing | 1.47Å | 1.46Å | |
N23 | N22 | doub | 1.28Å | 1.34Å | Aromatic |
N23 | C08 | sing | 1.32Å | 1.32Å | Aromatic |
C06 | O07 | sing | 1.43Å | 1.45Å | |
C06 | C05 | sing | 1.53Å | 1.48Å | |
O07 | C08 | sing | 1.36Å | 1.39Å | |
N22 | C11 | sing | 1.32Å | 1.35Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.53Å | 1.51Å | |
C11 | N12 | sing | 1.40Å | 1.46Å | |
C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
N12 | C13 | sing | 1.35Å | 1.44Å | |
C09 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C14 | sing | 1.51Å | 1.56Å | |
C13 | O21 | doub | 1.21Å | 1.21Å | |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.51Å | 1.52Å | |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
N12 | H2 | sing | 0.97Å | 1.00Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C20 | H4 | sing | 1.08Å | 1.08Å | |
C26 | H5 | sing | 1.08Å | 1.08Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C02 | H8 | sing | 1.09Å | 1.10Å | |
C02 | H9 | sing | 1.09Å | 1.10Å | |
C04 | H10 | sing | 1.09Å | 1.10Å | |
C04 | H11 | sing | 1.09Å | 1.10Å | |
C05 | H12 | sing | 1.09Å | 1.10Å | |
C05 | H13 | sing | 1.09Å | 1.10Å | |
C06 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H16 | sing | 1.09Å | 1.10Å | |
C14 | H17 | sing | 1.09Å | 1.10Å | |
C16 | H18 | sing | 1.08Å | 1.08Å | |
C18 | H19 | sing | 1.08Å | 1.08Å | |
C19 | H20 | sing | 1.08Å | 1.08Å | |
C25 | H21 | sing | 1.08Å | 1.08Å | |
C30 | H22 | sing | 1.09Å | 1.10Å | |
C30 | H23 | sing | 1.09Å | 1.10Å | |
C32 | H24 | sing | 1.08Å | 1.08Å | |
C33 | H25 | sing | 1.08Å | 1.08Å | |
C34 | H26 | sing | 1.08Å | 1.08Å | |
C35 | H27 | sing | 1.08Å | 1.08Å | |
C36 | H28 | sing | 1.08Å | 1.08Å | |
N28 | H29 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C35 | C36 | C31 | 119.3° | 120.0° |
C36 | C35 | C34 | 119.4° | 120.0° |
C36 | C35 | H27 | 120.3° | 120.0° |
C35 | C36 | H28 | 120.4° | 120.0° |
C36 | C31 | C30 | 120.1° | 120.0° |
C36 | C31 | C32 | 121.5° | 120.0° |
C31 | C36 | H28 | 120.4° | 120.0° |
C31 | C30 | C29 | 116.1° | 109.5° |
C30 | C31 | C32 | 118.4° | 120.0° |
C31 | C30 | H22 | 107.8° | 109.5° |
C31 | C30 | H23 | 107.8° | 109.5° |
C30 | C29 | N28 | 113.9° | 120.0° |
C30 | C29 | O37 | 122.0° | 120.0° |
C29 | C30 | H22 | 107.8° | 109.4° |
C29 | C30 | H23 | 107.8° | 109.5° |
C35 | C34 | C33 | 121.1° | 120.0° |
C35 | C34 | H26 | 119.5° | 120.0° |
C34 | C35 | H27 | 120.3° | 120.0° |
C31 | C32 | C33 | 119.0° | 120.0° |
C31 | C32 | H24 | 120.5° | 120.0° |
C25 | C26 | C27 | 119.4° | 118.0° |
C26 | C25 | C24 | 119.3° | 117.9° |
C25 | C26 | H5 | 120.3° | 121.0° |
C26 | C25 | H21 | 120.4° | 121.0° |
C26 | C27 | N28 | 115.6° | 120.0° |
C26 | C27 | N38 | 120.3° | 119.9° |
C27 | C26 | H5 | 120.3° | 121.0° |
C29 | N28 | C27 | 129.5° | 120.0° |
N28 | C29 | O37 | 124.1° | 120.0° |
C29 | N28 | H29 | 115.3° | 120.0° |
N28 | C27 | N38 | 124.1° | 120.1° |
C27 | N28 | H29 | 115.3° | 120.0° |
C34 | C33 | C32 | 119.7° | 120.0° |
C34 | C33 | H25 | 120.1° | 120.0° |
C33 | C34 | H26 | 119.4° | 120.0° |
C33 | C32 | H24 | 120.5° | 120.0° |
C32 | C33 | H25 | 120.1° | 120.0° |
C25 | C24 | N03 | 116.2° | 120.1° |
C25 | C24 | N39 | 119.6° | 119.9° |
C24 | C25 | H21 | 120.4° | 121.1° |
C27 | N38 | N39 | 120.0° | 122.1° |
C01 | C02 | N03 | 114.5° | 109.5° |
C02 | C01 | C06 | 110.7° | 109.3° |
C02 | C01 | H6 | 109.2° | 109.6° |
C02 | C01 | H7 | 109.2° | 109.6° |
C01 | C02 | H8 | 108.2° | 109.5° |
C01 | C02 | H9 | 108.2° | 109.4° |
C02 | N03 | C24 | 116.7° | 111.0° |
C02 | N03 | C04 | 115.6° | 111.2° |
N03 | C02 | H8 | 108.2° | 109.5° |
N03 | C02 | H9 | 108.2° | 109.4° |
C01 | C06 | O07 | 110.3° | 109.5° |
C01 | C06 | C05 | 112.8° | 109.1° |
C06 | C01 | H6 | 109.2° | 109.5° |
C06 | C01 | H7 | 109.1° | 109.4° |
C01 | C06 | H14 | 109.0° | 109.6° |
N03 | C24 | N39 | 124.2° | 120.1° |
C24 | N03 | C04 | 122.9° | 111.0° |
C24 | N39 | N38 | 121.5° | 122.2° |
N03 | C04 | C05 | 110.8° | 109.5° |
N03 | C04 | H10 | 109.1° | 109.5° |
N03 | C04 | H11 | 109.2° | 109.4° |
N22 | N23 | C08 | 119.5° | 122.1° |
N23 | N22 | C11 | 120.0° | 122.2° |
N23 | C08 | O07 | 115.8° | 120.0° |
N23 | C08 | C09 | 123.4° | 119.9° |
O07 | C06 | C05 | 106.2° | 109.5° |
C06 | O07 | C08 | 102.3° | 117.0° |
O07 | C06 | H14 | 109.4° | 109.5° |
C06 | C05 | C04 | 109.5° | 109.3° |
C06 | C05 | H12 | 109.5° | 109.5° |
C06 | C05 | H13 | 109.5° | 109.5° |
C05 | C06 | H14 | 109.0° | 109.6° |
O07 | C08 | C09 | 120.8° | 120.1° |
N22 | C11 | N12 | 117.6° | 120.1° |
N22 | C11 | C10 | 122.2° | 119.8° |
C08 | C09 | C10 | 116.7° | 118.0° |
C08 | C09 | H15 | 121.6° | 121.0° |
C05 | C04 | H10 | 109.1° | 109.4° |
C05 | C04 | H11 | 109.1° | 109.5° |
C04 | C05 | H12 | 109.5° | 109.5° |
C04 | C05 | H13 | 109.5° | 109.5° |
N12 | C11 | C10 | 120.2° | 120.1° |
C11 | N12 | C13 | 122.6° | 120.0° |
C11 | N12 | H2 | 118.7° | 120.0° |
C11 | C10 | C09 | 118.2° | 118.0° |
C11 | C10 | H1 | 120.9° | 121.1° |
N12 | C13 | C14 | 120.5° | 120.0° |
N12 | C13 | O21 | 116.0° | 120.0° |
C13 | N12 | H2 | 118.7° | 120.0° |
C09 | C10 | H1 | 120.9° | 121.0° |
C10 | C09 | H15 | 121.6° | 121.1° |
C19 | C20 | C15 | 120.1° | 120.0° |
C20 | C19 | C18 | 120.2° | 120.0° |
C19 | C20 | H4 | 120.0° | 120.0° |
C20 | C19 | H20 | 119.9° | 120.0° |
C20 | C15 | C14 | 122.8° | 120.0° |
C20 | C15 | C16 | 119.0° | 120.0° |
C15 | C20 | H4 | 119.9° | 120.0° |
C14 | C13 | O21 | 123.5° | 120.0° |
C13 | C14 | C15 | 115.4° | 109.4° |
C13 | C14 | H16 | 108.0° | 109.4° |
C13 | C14 | H17 | 107.9° | 109.4° |
C19 | C18 | C17 | 119.8° | 120.0° |
C19 | C18 | H19 | 120.1° | 120.0° |
C18 | C19 | H20 | 119.9° | 120.0° |
C14 | C15 | C16 | 118.2° | 120.0° |
C15 | C14 | H16 | 108.0° | 109.5° |
C15 | C14 | H17 | 108.0° | 109.5° |
C15 | C16 | C17 | 121.1° | 120.0° |
C15 | C16 | H18 | 119.5° | 120.0° |
C18 | C17 | C16 | 119.7° | 120.0° |
C18 | C17 | H3 | 120.1° | 120.0° |
C17 | C18 | H19 | 120.1° | 120.0° |
C16 | C17 | H3 | 120.1° | 120.0° |
C17 | C16 | H18 | 119.4° | 120.0° |
H6 | C01 | H7 | 109.5° | 109.6° |
H8 | C02 | H9 | 109.5° | 109.4° |
H10 | C04 | H11 | 109.5° | 109.4° |
H12 | C05 | H13 | 109.5° | 109.4° |
H16 | C14 | H17 | 109.5° | 109.5° |
H22 | C30 | H23 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C35 | C36 | C31 | H28 | 180.0° | 179.4° |
C35 | C36 | C31 | C30 | 179.4° | 179.7° |
C36 | C35 | C34 | H27 | 180.0° | 179.7° |
C35 | C36 | C31 | C32 | 0.7° | 0.6° |
C36 | C35 | C34 | C33 | 0.1° | 0.2° |
C36 | C35 | C34 | H26 | 179.9° | 179.7° |
C36 | C31 | C30 | C32 | 178.8° | 179.7° |
C36 | C31 | C30 | C29 | 75.3° | 90.3° |
C31 | C36 | C35 | C34 | 0.3° | 0.6° |
C36 | C31 | C32 | C33 | 0.6° | 0.3° |
C36 | C31 | C30 | H22 | 163.8° | 149.7° |
C36 | C31 | C30 | H23 | 45.7° | 29.7° |
C36 | C31 | C32 | H24 | 179.4° | 179.7° |
C31 | C36 | C35 | H27 | 179.7° | 179.7° |
C31 | C30 | C29 | H22 | 121.0° | 120.0° |
C31 | C30 | C29 | H23 | 121.0° | 120.0° |
C31 | C30 | C29 | N28 | 169.1° | 180.0° |
C30 | C31 | C32 | C33 | 179.4° | 180.0° |
C31 | C30 | C29 | O37 | 10.4° | 0.1° |
C31 | C30 | H22 | H23 | 117.0° | 120.0° |
C30 | C31 | C32 | H24 | 0.6° | 0.0° |
C30 | C31 | C36 | H28 | 0.6° | 0.3° |
C29 | C30 | C31 | C32 | 106.0° | 90.0° |
C30 | C29 | N28 | O37 | 179.5° | 179.9° |
C30 | C29 | N28 | C27 | 178.8° | 175.0° |
C29 | C30 | H22 | H23 | 117.0° | 120.0° |
C30 | C29 | N28 | H29 | 1.2° | 5.1° |
C35 | C34 | C33 | H26 | 180.0° | 180.0° |
C35 | C34 | C33 | C32 | 0.1° | 0.1° |
C35 | C34 | C33 | H25 | 179.9° | 180.0° |
C34 | C35 | C36 | H28 | 179.7° | 179.9° |
C31 | C32 | C33 | C34 | 0.2° | 0.1° |
C31 | C32 | C33 | H24 | 180.0° | 180.0° |
C32 | C31 | C30 | H22 | 15.0° | 30.0° |
C32 | C31 | C30 | H23 | 133.1° | 150.0° |
C31 | C32 | C33 | H25 | 179.8° | 180.0° |
C32 | C31 | C36 | H28 | 179.3° | 180.0° |
C25 | C26 | C27 | H5 | 180.0° | 180.0° |
C25 | C26 | C27 | N28 | 178.6° | 180.0° |
C26 | C25 | C24 | H21 | 180.0° | 180.0° |
C25 | C26 | C27 | N38 | 1.4° | 0.3° |
C26 | C25 | C24 | N03 | 179.9° | 180.0° |
C26 | C25 | C24 | N39 | 0.4° | 0.3° |
C26 | C27 | N28 | C29 | 157.5° | 174.9° |
C26 | C27 | N28 | N38 | 177.1° | 179.7° |
C27 | C26 | C25 | C24 | 0.9° | 0.0° |
C26 | C27 | N38 | N39 | 1.3° | 0.3° |
C27 | C26 | C25 | H21 | 179.1° | 180.0° |
C26 | C27 | N28 | H29 | 22.6° | 5.2° |
C29 | N28 | C27 | H29 | 180.0° | 179.9° |
C29 | N28 | C27 | N38 | 25.4° | 4.8° |
N28 | C29 | C30 | H22 | 70.0° | 60.0° |
N28 | C29 | C30 | H23 | 48.1° | 59.9° |
C27 | N28 | C29 | O37 | 1.7° | 5.1° |
N28 | C27 | N38 | N39 | 178.3° | 180.0° |
N28 | C27 | C26 | H5 | 1.4° | 0.0° |
C34 | C33 | C32 | H25 | 180.0° | 179.9° |
C34 | C33 | C32 | H24 | 179.8° | 179.9° |
C33 | C34 | C35 | H27 | 179.9° | 180.0° |
C32 | C33 | C34 | H26 | 179.9° | 180.0° |
C25 | C24 | N03 | C02 | 14.1° | 179.8° |
C25 | C24 | N03 | N39 | 179.7° | 179.7° |
C25 | C24 | N39 | N38 | 0.3° | 0.3° |
C25 | C24 | N03 | C04 | 168.4° | 56.0° |
C24 | C25 | C26 | H5 | 179.1° | 180.0° |
O37 | C29 | C30 | H22 | 110.5° | 120.1° |
O37 | C29 | C30 | H23 | 131.4° | 120.0° |
O37 | C29 | N28 | H29 | 178.3° | 174.8° |
C27 | N38 | N39 | C24 | 0.8° | 0.0° |
N38 | C27 | C26 | H5 | 178.6° | 179.7° |
N38 | C27 | N28 | H29 | 154.5° | 175.1° |
C01 | C02 | N03 | H8 | 120.7° | 120.1° |
C01 | C02 | N03 | H9 | 120.7° | 120.0° |
C02 | C01 | C06 | H6 | 120.1° | 120.0° |
C02 | C01 | C06 | H7 | 120.2° | 120.0° |
C01 | C02 | N03 | C24 | 104.8° | 174.1° |
C01 | C02 | N03 | C04 | 51.4° | 61.8° |
C02 | C01 | C06 | O07 | 96.3° | 62.2° |
C02 | C01 | C06 | C05 | 22.3° | 57.7° |
C02 | C01 | H6 | H7 | 119.5° | 120.2° |
C01 | C02 | H8 | H9 | 117.8° | 120.0° |
C02 | C01 | C06 | H14 | 143.5° | 177.6° |
N03 | C02 | C01 | C06 | 34.4° | 59.2° |
C02 | N03 | C24 | C04 | 154.3° | 124.2° |
C02 | N03 | C24 | N39 | 165.6° | 0.0° |
C02 | N03 | C04 | C05 | 7.9° | 61.7° |
N03 | C02 | C01 | H6 | 154.6° | 60.7° |
N03 | C02 | C01 | H7 | 85.7° | 179.1° |
N03 | C02 | H8 | H9 | 117.7° | 119.9° |
C02 | N03 | C04 | H10 | 128.0° | 178.2° |
C02 | N03 | C04 | H11 | 112.3° | 58.3° |
C01 | C06 | O07 | C05 | 122.5° | 119.6° |
C01 | C06 | O07 | H14 | 120.0° | 120.2° |
C01 | C06 | C05 | H14 | 121.3° | 120.0° |
C01 | C06 | O07 | C08 | 130.5° | 150.0° |
C01 | C06 | C05 | C04 | 65.7° | 57.6° |
C06 | C01 | H6 | H7 | 119.4° | 120.0° |
C06 | C01 | C02 | H8 | 155.2° | 60.8° |
C06 | C01 | C02 | H9 | 86.3° | 179.2° |
C01 | C06 | C05 | H12 | 54.3° | 177.6° |
C01 | C06 | C05 | H13 | 174.3° | 62.4° |
N03 | C24 | N39 | N38 | 179.9° | 180.0° |
C24 | N03 | C04 | C05 | 146.7° | 174.2° |
C24 | N03 | C02 | H8 | 16.0° | 65.8° |
C24 | N03 | C02 | H9 | 134.5° | 54.1° |
C24 | N03 | C04 | H10 | 26.5° | 54.1° |
C24 | N03 | C04 | H11 | 93.1° | 65.8° |
N03 | C24 | C25 | H21 | 0.0° | 0.0° |
N39 | C24 | N03 | C04 | 11.3° | 124.2° |
N39 | C24 | C25 | H21 | 179.7° | 179.7° |
N03 | C04 | C05 | C06 | 48.5° | 59.2° |
N03 | C04 | C05 | H10 | 120.2° | 120.1° |
N03 | C04 | C05 | H11 | 120.2° | 120.0° |
C04 | N03 | C02 | H8 | 172.1° | 58.3° |
C04 | N03 | C02 | H9 | 69.3° | 178.2° |
N03 | C04 | H10 | H11 | 119.4° | 120.0° |
N03 | C04 | C05 | H12 | 71.5° | 179.1° |
N03 | C04 | C05 | H13 | 168.5° | 60.8° |
N22 | N23 | C08 | O07 | 179.2° | 179.8° |
N22 | N23 | C08 | C09 | 1.6° | 0.3° |
N23 | N22 | C11 | N12 | 179.1° | 180.0° |
N23 | N22 | C11 | C10 | 0.4° | 0.0° |
N23 | C08 | O07 | C06 | 79.3° | 0.1° |
N23 | C08 | O07 | C09 | 177.7° | 179.9° |
C08 | N23 | N22 | C11 | 0.4° | 0.3° |
N23 | C08 | C09 | C10 | 2.0° | 0.0° |
N23 | C08 | C09 | H15 | 178.0° | 180.0° |
O07 | C06 | C05 | H14 | 117.8° | 120.2° |
C06 | O07 | C08 | C09 | 98.4° | 180.0° |
O07 | C06 | C05 | C04 | 55.2° | 62.2° |
O07 | C06 | C01 | H6 | 143.6° | 177.8° |
O07 | C06 | C01 | H7 | 23.9° | 57.8° |
O07 | C06 | C05 | H12 | 175.2° | 57.7° |
O07 | C06 | C05 | H13 | 64.8° | 177.8° |
C05 | C06 | O07 | C08 | 107.1° | 90.4° |
C06 | C05 | C04 | H12 | 120.0° | 120.0° |
C06 | C05 | C04 | H13 | 120.0° | 120.0° |
C05 | C06 | C01 | H6 | 97.8° | 62.3° |
C05 | C06 | C01 | H7 | 142.5° | 177.6° |
C06 | C05 | C04 | H10 | 71.7° | 179.2° |
C06 | C05 | C04 | H11 | 168.7° | 60.8° |
C06 | C05 | H12 | H13 | 120.0° | 120.1° |
O07 | C08 | C09 | C10 | 179.5° | 179.9° |
C08 | O07 | C06 | H14 | 10.5° | 29.8° |
O07 | C08 | C09 | H15 | 0.5° | 0.1° |
N22 | C11 | N12 | C10 | 178.7° | 179.9° |
N22 | C11 | N12 | C13 | 105.9° | 5.0° |
N22 | C11 | C10 | C09 | 0.1° | 0.2° |
N22 | C11 | C10 | H1 | 180.0° | 180.0° |
N22 | C11 | N12 | H2 | 74.1° | 174.9° |
C08 | C09 | C10 | C11 | 1.1° | 0.2° |
C08 | C09 | C10 | H15 | 180.0° | 180.0° |
C08 | C09 | C10 | H1 | 178.9° | 180.0° |
C05 | C04 | H10 | H11 | 119.4° | 120.0° |
C04 | C05 | H12 | H13 | 120.0° | 120.1° |
C04 | C05 | C06 | H14 | 173.1° | 177.6° |
C11 | N12 | C13 | H2 | 180.0° | 179.9° |
N12 | C11 | C10 | C09 | 178.6° | 179.7° |
C11 | N12 | C13 | C14 | 0.6° | 174.9° |
C11 | N12 | C13 | O21 | 180.0° | 5.0° |
N12 | C11 | C10 | H1 | 1.4° | 0.0° |
C10 | C11 | N12 | C13 | 75.4° | 174.9° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C10 | C11 | N12 | H2 | 104.6° | 5.2° |
C11 | C10 | C09 | H15 | 178.9° | 179.8° |
N12 | C13 | C14 | O21 | 179.3° | 179.9° |
N12 | C13 | C14 | C15 | 167.7° | 180.0° |
N12 | C13 | C14 | H16 | 46.8° | 60.0° |
N12 | C13 | C14 | H17 | 71.4° | 60.0° |
C19 | C20 | C15 | H4 | 180.0° | 180.0° |
C20 | C19 | C18 | H20 | 180.0° | 180.0° |
C19 | C20 | C15 | C14 | 179.9° | 179.7° |
C19 | C20 | C15 | C16 | 1.0° | 0.1° |
C20 | C19 | C18 | C17 | 0.2° | 0.0° |
C20 | C19 | C18 | H19 | 179.8° | 180.0° |
C20 | C15 | C14 | C13 | 34.0° | 90.3° |
C15 | C20 | C19 | C18 | 0.5° | 0.0° |
C20 | C15 | C14 | C16 | 179.1° | 179.6° |
C20 | C15 | C16 | C17 | 1.3° | 0.1° |
C20 | C15 | C14 | H16 | 86.9° | 149.7° |
C20 | C15 | C14 | H17 | 154.8° | 29.6° |
C20 | C15 | C16 | H18 | 178.7° | 180.0° |
C15 | C20 | C19 | H20 | 179.5° | 180.0° |
C13 | C14 | C15 | H16 | 120.9° | 120.0° |
C13 | C14 | C15 | H17 | 120.9° | 119.9° |
C13 | C14 | C15 | C16 | 146.9° | 90.1° |
C14 | C13 | N12 | H2 | 179.4° | 5.2° |
C13 | C14 | H16 | H17 | 117.2° | 119.9° |
O21 | C13 | C14 | C15 | 11.6° | 0.0° |
O21 | C13 | N12 | H2 | 0.0° | 174.9° |
O21 | C13 | C14 | H16 | 132.5° | 120.0° |
O21 | C13 | C14 | H17 | 109.2° | 120.0° |
C19 | C18 | C17 | H19 | 180.0° | 180.0° |
C19 | C18 | C17 | C16 | 0.5° | 0.0° |
C19 | C18 | C17 | H3 | 179.4° | 180.0° |
C18 | C19 | C20 | H4 | 179.5° | 180.0° |
C14 | C15 | C16 | C17 | 179.5° | 179.7° |
C14 | C15 | C20 | H4 | 0.1° | 0.3° |
C15 | C14 | H16 | H17 | 117.3° | 120.1° |
C14 | C15 | C16 | H18 | 0.5° | 0.4° |
C15 | C16 | C17 | C18 | 1.1° | 0.1° |
C15 | C16 | C17 | H18 | 180.0° | 179.9° |
C15 | C16 | C17 | H3 | 178.9° | 180.0° |
C16 | C15 | C20 | H4 | 179.0° | 180.0° |
C16 | C15 | C14 | H16 | 92.2° | 29.9° |
C16 | C15 | C14 | H17 | 26.0° | 150.0° |
C18 | C17 | C16 | H3 | 180.0° | 179.9° |
C18 | C17 | C16 | H18 | 178.9° | 179.9° |
C17 | C18 | C19 | H20 | 179.8° | 179.9° |
C16 | C17 | C18 | H19 | 179.5° | 180.0° |
H1 | C10 | C09 | H15 | 1.1° | 0.0° |
H3 | C17 | C16 | H18 | 1.1° | 0.1° |
H3 | C17 | C18 | H19 | 0.6° | 0.1° |
H4 | C20 | C19 | H20 | 0.5° | 0.0° |
H5 | C26 | C25 | H21 | 0.9° | 0.0° |
H6 | C01 | C02 | H8 | 84.7° | 179.2° |
H6 | C01 | C02 | H9 | 33.9° | 59.3° |
H6 | C01 | C06 | H14 | 23.4° | 57.6° |
H7 | C01 | C02 | H8 | 35.0° | 59.0° |
H7 | C01 | C02 | H9 | 153.6° | 60.9° |
H7 | C01 | C06 | H14 | 96.3° | 62.4° |
H10 | C04 | C05 | H12 | 168.3° | 60.8° |
H10 | C04 | C05 | H13 | 48.3° | 59.2° |
H11 | C04 | C05 | H12 | 48.7° | 59.1° |
H11 | C04 | C05 | H13 | 71.3° | 179.2° |
H12 | C05 | C06 | H14 | 66.9° | 62.4° |
H13 | C05 | C06 | H14 | 53.1° | 57.6° |
H19 | C18 | C19 | H20 | 0.2° | 0.1° |
H24 | C32 | C33 | H25 | 0.2° | 0.1° |
H25 | C33 | C34 | H26 | 0.1° | 0.1° |
H26 | C34 | C35 | H27 | 0.1° | 0.0° |
H27 | C35 | C36 | H28 | 0.3° | 0.3° |