BDQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | sing | 1.47Å | 1.46Å | |
C1 | C3 | sing | 1.51Å | 1.53Å | |
C1 | C4 | sing | 1.53Å | 1.54Å | |
C1 | C5 | sing | 1.53Å | 1.52Å | |
N1 | C2 | sing | 1.37Å | 1.35Å | |
O1 | C3 | doub | 1.21Å | 1.23Å | |
C2 | N2 | sing | 1.37Å | 1.35Å | |
C2 | N3 | doub | 1.30Å | 1.33Å | |
N2 | C3 | sing | 1.35Å | 1.35Å | |
N2 | C9 | sing | 1.47Å | 1.46Å | |
O2 | C22 | doub | 1.22Å | 1.23Å | |
N4 | C16 | sing | 1.47Å | 1.46Å | |
N4 | C22 | sing | 1.35Å | 1.35Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
N5 | C17 | sing | 1.40Å | 1.36Å | |
N5 | C22 | sing | 1.35Å | 1.35Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | C8 | sing | 1.53Å | 1.53Å | |
N6 | C24 | trip | 1.14Å | 1.16Å | |
C9 | C10 | sing | 1.51Å | 1.51Å | |
C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
C10 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
C13 | C16 | sing | 1.51Å | 1.52Å | |
C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
C17 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
C18 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
C19 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
C20 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
C21 | C23 | sing | 1.40Å | 1.43Å | Aromatic |
C23 | C24 | sing | 1.43Å | 1.44Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C4 | H4B | sing | 1.09Å | 1.10Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C7 | H7B | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C8 | H8B | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | C3 | 102.9° | 104.4° |
N1 | C1 | C4 | 111.5° | 110.5° |
N1 | C1 | C5 | 110.8° | 110.5° |
C1 | N1 | C2 | 106.7° | 106.6° |
C1 | N1 | HN1 | 126.6° | 126.7° |
C3 | C1 | C4 | 107.1° | 110.5° |
C3 | C1 | C5 | 110.1° | 110.4° |
C1 | C3 | O1 | 124.8° | 126.8° |
C1 | C3 | N2 | 107.6° | 106.5° |
C4 | C1 | C5 | 113.8° | 110.5° |
C1 | C4 | H4 | 109.5° | 109.5° |
C1 | C4 | H4A | 109.4° | 109.4° |
C1 | C4 | H4B | 109.5° | 109.5° |
C1 | C5 | C6 | 111.6° | 109.5° |
C1 | C5 | H5 | 108.7° | 109.5° |
C1 | C5 | H5A | 108.7° | 109.5° |
N1 | C2 | N2 | 113.9° | 111.2° |
N1 | C2 | N3 | 123.6° | 124.4° |
C2 | N1 | HN1 | 126.7° | 126.7° |
O1 | C3 | N2 | 127.6° | 126.7° |
N2 | C2 | N3 | 122.4° | 124.4° |
C2 | N2 | C3 | 108.8° | 111.3° |
C2 | N2 | C9 | 125.8° | 124.4° |
C2 | N3 | HN3 | 112.0° | 120.0° |
C3 | N2 | C9 | 125.3° | 124.4° |
N2 | C9 | C10 | 110.4° | 109.5° |
N2 | C9 | H9 | 109.2° | 109.4° |
N2 | C9 | H9A | 109.2° | 109.4° |
O2 | C22 | N4 | 122.7° | 120.0° |
O2 | C22 | N5 | 123.2° | 120.0° |
C16 | N4 | C22 | 118.9° | 120.0° |
N4 | C16 | C13 | 112.6° | 109.5° |
C16 | N4 | HN4 | 120.6° | 120.0° |
N4 | C16 | H16 | 108.4° | 109.5° |
N4 | C16 | H16A | 108.4° | 109.5° |
N4 | C22 | N5 | 114.1° | 120.0° |
C22 | N4 | HN4 | 120.5° | 120.0° |
C5 | C6 | C7 | 111.1° | 109.5° |
C5 | C6 | C8 | 111.2° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.5° |
C6 | C5 | H5A | 108.8° | 109.5° |
C5 | C6 | H6 | 108.4° | 109.5° |
C17 | N5 | C22 | 121.8° | 120.0° |
N5 | C17 | C18 | 120.2° | 119.9° |
N5 | C17 | C19 | 119.9° | 119.9° |
C17 | N5 | HN5 | 119.1° | 120.0° |
C22 | N5 | HN5 | 119.1° | 120.0° |
C7 | C6 | C8 | 112.8° | 109.4° |
C7 | C6 | H6 | 106.6° | 109.4° |
C6 | C7 | H7 | 109.5° | 109.5° |
C6 | C7 | H7A | 109.4° | 109.4° |
C6 | C7 | H7B | 109.5° | 109.4° |
C8 | C6 | H6 | 106.5° | 109.5° |
C6 | C8 | H8 | 109.5° | 109.4° |
C6 | C8 | H8A | 109.5° | 109.5° |
C6 | C8 | H8B | 109.5° | 109.5° |
N6 | C24 | C23 | 179.8° | 180.0° |
C9 | C10 | C11 | 120.1° | 120.0° |
C9 | C10 | C15 | 120.0° | 120.0° |
C10 | C9 | H9 | 109.2° | 109.5° |
C10 | C9 | H9A | 109.2° | 109.5° |
C11 | C10 | C15 | 119.9° | 120.0° |
C10 | C11 | C12 | 120.0° | 120.0° |
C10 | C11 | H11 | 120.0° | 120.0° |
C10 | C15 | C14 | 120.1° | 120.0° |
C10 | C15 | H15 | 120.0° | 120.0° |
C11 | C12 | C13 | 120.3° | 120.0° |
C12 | C11 | H11 | 120.0° | 120.0° |
C11 | C12 | H12 | 119.9° | 119.9° |
C12 | C13 | C14 | 119.7° | 120.0° |
C12 | C13 | C16 | 119.8° | 120.0° |
C13 | C12 | H12 | 119.9° | 120.0° |
C14 | C13 | C16 | 120.5° | 120.0° |
C13 | C14 | C15 | 120.1° | 120.0° |
C13 | C14 | H14 | 119.9° | 120.0° |
C13 | C16 | H16 | 108.5° | 109.4° |
C13 | C16 | H16A | 108.5° | 109.4° |
C15 | C14 | H14 | 119.9° | 120.0° |
C14 | C15 | H15 | 120.0° | 120.0° |
C18 | C17 | C19 | 119.9° | 120.2° |
C17 | C18 | C20 | 120.2° | 120.1° |
C17 | C18 | H18 | 119.9° | 120.0° |
C17 | C19 | C21 | 119.9° | 120.1° |
C17 | C19 | H19 | 120.0° | 120.0° |
C18 | C20 | C23 | 119.9° | 120.0° |
C20 | C18 | H18 | 119.9° | 119.9° |
C18 | C20 | H20 | 120.0° | 120.1° |
C19 | C21 | C23 | 120.1° | 119.9° |
C21 | C19 | H19 | 120.1° | 120.0° |
C19 | C21 | H21 | 119.9° | 120.0° |
C20 | C23 | C21 | 120.0° | 119.8° |
C20 | C23 | C24 | 119.9° | 120.1° |
C23 | C20 | H20 | 120.1° | 120.0° |
C21 | C23 | C24 | 120.1° | 120.1° |
C23 | C21 | H21 | 120.0° | 120.1° |
H4 | C4 | H4A | 109.5° | 109.5° |
H4 | C4 | H4B | 109.5° | 109.5° |
H4A | C4 | H4B | 109.5° | 109.5° |
H5 | C5 | H5A | 110.2° | 109.4° |
H7 | C7 | H7A | 109.5° | 109.5° |
H7 | C7 | H7B | 109.5° | 109.5° |
H7A | C7 | H7B | 109.5° | 109.4° |
H8 | C8 | H8A | 109.4° | 109.4° |
H8 | C8 | H8B | 109.4° | 109.5° |
H8A | C8 | H8B | 109.5° | 109.5° |
H9 | C9 | H9A | 109.7° | 109.5° |
H16 | C16 | H16A | 110.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | C3 | C4 | 117.6° | 118.7° |
N1 | C1 | C3 | C5 | 118.2° | 118.7° |
N1 | C1 | C4 | C5 | 126.2° | 122.5° |
C1 | N1 | C2 | HN1 | 180.0° | 180.0° |
N1 | C1 | C3 | O1 | 179.9° | 180.0° |
C1 | N1 | C2 | N2 | 0.2° | 0.0° |
C1 | N1 | C2 | N3 | 180.0° | 180.0° |
N1 | C1 | C3 | N2 | 0.2° | 0.0° |
N1 | C1 | C5 | C6 | 33.4° | 63.1° |
N1 | C1 | C4 | H4 | 180.0° | 58.4° |
N1 | C1 | C4 | H4A | 60.0° | 178.3° |
N1 | C1 | C4 | H4B | 60.0° | 61.7° |
N1 | C1 | C5 | H5 | 86.6° | 56.9° |
N1 | C1 | C5 | H5A | 153.4° | 176.9° |
C3 | C1 | C4 | C5 | 121.9° | 122.5° |
C3 | C1 | N1 | C2 | 0.0° | 0.0° |
C1 | C3 | O1 | N2 | 179.7° | 179.9° |
C1 | C3 | N2 | C2 | 0.3° | 0.1° |
C1 | C3 | N2 | C9 | 176.6° | 180.0° |
C3 | C1 | C5 | C6 | 79.8° | 51.8° |
C3 | C1 | N1 | HN1 | 180.0° | 180.0° |
C3 | C1 | C4 | H4 | 68.1° | 56.6° |
C3 | C1 | C4 | H4A | 171.9° | 63.4° |
C3 | C1 | C4 | H4B | 51.9° | 176.6° |
C3 | C1 | C5 | H5 | 160.2° | 171.9° |
C3 | C1 | C5 | H5A | 40.2° | 68.2° |
C4 | C1 | N1 | C2 | 114.5° | 118.7° |
C4 | C1 | C3 | O1 | 62.3° | 61.2° |
C4 | C1 | C3 | N2 | 117.5° | 118.7° |
C4 | C1 | C5 | C6 | 160.0° | 174.3° |
C4 | C1 | N1 | HN1 | 65.5° | 61.3° |
C1 | C4 | H4 | H4A | 120.0° | 119.9° |
C1 | C4 | H4 | H4B | 120.0° | 120.0° |
C1 | C4 | H4A | H4B | 120.0° | 120.0° |
C4 | C1 | C5 | H5 | 39.9° | 65.6° |
C4 | C1 | C5 | H5A | 80.0° | 54.3° |
C5 | C1 | N1 | C2 | 117.7° | 118.7° |
C5 | C1 | C3 | O1 | 61.9° | 61.3° |
C5 | C1 | C3 | N2 | 118.4° | 118.8° |
C1 | C5 | C6 | H5 | 120.0° | 120.0° |
C1 | C5 | C6 | H5A | 120.0° | 120.0° |
C1 | C5 | C6 | C7 | 125.0° | 68.1° |
C1 | C5 | C6 | C8 | 108.5° | 171.9° |
C5 | C1 | N1 | HN1 | 62.3° | 61.3° |
C5 | C1 | C4 | H4 | 53.8° | 179.1° |
C5 | C1 | C4 | H4A | 66.2° | 59.1° |
C5 | C1 | C4 | H4B | 173.8° | 60.9° |
C1 | C5 | H5 | H5A | 119.1° | 120.0° |
C1 | C5 | C6 | H6 | 8.2° | 51.9° |
N1 | C2 | N2 | N3 | 179.8° | 180.0° |
N1 | C2 | N2 | C3 | 0.3° | 0.1° |
N1 | C2 | N2 | C9 | 176.5° | 180.0° |
N1 | C2 | N3 | HN3 | 179.7° | 180.0° |
O1 | C3 | N2 | C2 | 179.9° | 180.0° |
O1 | C3 | N2 | C9 | 3.2° | 0.1° |
C2 | N2 | C3 | C9 | 176.9° | 179.9° |
C2 | N2 | C9 | C10 | 94.1° | 90.0° |
N2 | C2 | N1 | HN1 | 179.8° | 180.0° |
N2 | C2 | N3 | HN3 | 0.0° | 0.0° |
C2 | N2 | C9 | H9 | 25.9° | 150.0° |
C2 | N2 | C9 | H9A | 145.9° | 30.0° |
N3 | C2 | N2 | C3 | 179.9° | 180.0° |
N3 | C2 | N2 | C9 | 3.3° | 0.1° |
N3 | C2 | N1 | HN1 | 0.0° | 0.0° |
C3 | N2 | C9 | C10 | 82.2° | 89.9° |
C3 | N2 | C9 | H9 | 157.8° | 30.1° |
C3 | N2 | C9 | H9A | 37.8° | 150.1° |
N2 | C9 | C10 | H9 | 120.0° | 120.0° |
N2 | C9 | C10 | H9A | 120.0° | 120.0° |
N2 | C9 | C10 | C11 | 89.0° | 90.0° |
N2 | C9 | C10 | C15 | 90.7° | 90.3° |
N2 | C9 | H9 | H9A | 119.6° | 119.9° |
O2 | C22 | N4 | C16 | 0.0° | 0.0° |
O2 | C22 | N4 | N5 | 179.9° | 180.0° |
O2 | C22 | N5 | C17 | 0.1° | 3.8° |
O2 | C22 | N4 | HN4 | 179.9° | 180.0° |
O2 | C22 | N5 | HN5 | 179.9° | 176.2° |
C16 | N4 | C22 | HN4 | 180.0° | 180.0° |
C16 | N4 | C22 | N5 | 179.9° | 180.0° |
N4 | C16 | C13 | C12 | 165.9° | 90.0° |
N4 | C16 | C13 | C14 | 14.1° | 90.0° |
N4 | C16 | C13 | H16 | 120.0° | 120.0° |
N4 | C16 | C13 | H16A | 120.0° | 120.0° |
N4 | C16 | H16 | H16A | 118.7° | 120.1° |
N4 | C22 | N5 | C17 | 180.0° | 176.2° |
C22 | N4 | C16 | C13 | 70.9° | 180.0° |
N4 | C22 | N5 | HN5 | 0.0° | 3.7° |
C22 | N4 | C16 | H16 | 169.1° | 60.0° |
C22 | N4 | C16 | H16A | 49.1° | 60.0° |
C5 | C6 | C7 | C8 | 125.6° | 120.0° |
C5 | C6 | C7 | H6 | 117.9° | 120.0° |
C5 | C6 | C8 | H6 | 117.9° | 120.1° |
C6 | C5 | H5 | H5A | 119.1° | 120.0° |
C5 | C6 | C7 | H7 | 180.0° | 170.3° |
C5 | C6 | C7 | H7A | 60.0° | 69.7° |
C5 | C6 | C7 | H7B | 60.0° | 50.2° |
C5 | C6 | C8 | H8 | 180.0° | 60.0° |
C5 | C6 | C8 | H8A | 60.0° | 180.0° |
C5 | C6 | C8 | H8B | 60.0° | 60.0° |
C17 | N5 | C22 | HN5 | 180.0° | 179.9° |
N5 | C17 | C18 | C19 | 179.8° | 179.7° |
N5 | C17 | C18 | C20 | 179.9° | 180.0° |
N5 | C17 | C19 | C21 | 180.0° | 180.0° |
N5 | C17 | C18 | H18 | 0.1° | 0.1° |
N5 | C17 | C19 | H19 | 0.0° | 0.0° |
C22 | N5 | C17 | C18 | 62.9° | 141.9° |
C22 | N5 | C17 | C19 | 117.3° | 38.4° |
N5 | C22 | N4 | HN4 | 0.0° | 0.0° |
C7 | C6 | C8 | H6 | 116.6° | 119.9° |
C7 | C6 | C5 | H5 | 115.0° | 51.9° |
C7 | C6 | C5 | H5A | 5.0° | 171.9° |
C6 | C7 | H7 | H7A | 120.0° | 120.0° |
C6 | C7 | H7 | H7B | 120.0° | 120.0° |
C6 | C7 | H7A | H7B | 120.0° | 119.9° |
C7 | C6 | C8 | H8 | 54.5° | 180.0° |
C7 | C6 | C8 | H8A | 174.4° | 60.0° |
C7 | C6 | C8 | H8B | 65.5° | 60.0° |
C8 | C6 | C5 | H5 | 11.5° | 68.0° |
C8 | C6 | C5 | H5A | 131.5° | 51.9° |
C8 | C6 | C7 | H7 | 54.4° | 50.2° |
C8 | C6 | C7 | H7A | 65.6° | 170.3° |
C8 | C6 | C7 | H7B | 174.4° | 69.8° |
C6 | C8 | H8 | H8A | 120.0° | 120.0° |
C6 | C8 | H8 | H8B | 120.0° | 120.0° |
C6 | C8 | H8A | H8B | 120.0° | 120.0° |
N6 | C24 | C23 | C20 | 5.7° | 159.7° |
N6 | C24 | C23 | C21 | 174.3° | 20.6° |
C9 | C10 | C11 | C15 | 179.7° | 179.7° |
C9 | C10 | C11 | C12 | 179.8° | 180.0° |
C9 | C10 | C15 | C14 | 179.8° | 179.8° |
C10 | C9 | H9 | H9A | 119.6° | 120.0° |
C9 | C10 | C11 | H11 | 0.2° | 0.0° |
C9 | C10 | C15 | H15 | 0.1° | 0.1° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.1° | 0.0° |
C11 | C10 | C15 | C14 | 0.1° | 0.5° |
C11 | C10 | C9 | H9 | 31.0° | 30.0° |
C11 | C10 | C9 | H9A | 151.0° | 150.0° |
C10 | C11 | C12 | H12 | 179.9° | 179.9° |
C11 | C10 | C15 | H15 | 179.9° | 179.7° |
C15 | C10 | C11 | C12 | 0.0° | 0.3° |
C10 | C15 | C14 | C13 | 0.1° | 0.4° |
C10 | C15 | C14 | H15 | 180.0° | 179.9° |
C15 | C10 | C9 | H9 | 149.2° | 149.7° |
C15 | C10 | C9 | H9A | 29.3° | 29.7° |
C15 | C10 | C11 | H11 | 180.0° | 179.8° |
C10 | C15 | C14 | H14 | 179.9° | 179.7° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.1° | 0.1° |
C11 | C12 | C13 | C16 | 179.9° | 180.0° |
C12 | C13 | C14 | C16 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 0.0° | 0.1° |
C13 | C12 | C11 | H11 | 179.9° | 180.0° |
C12 | C13 | C14 | H14 | 180.0° | 180.0° |
C12 | C13 | C16 | H16 | 74.1° | 30.1° |
C12 | C13 | C16 | H16A | 45.9° | 150.1° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C14 | C13 | C12 | H12 | 179.9° | 180.0° |
C13 | C14 | C15 | H15 | 179.9° | 179.8° |
C14 | C13 | C16 | H16 | 105.9° | 150.0° |
C14 | C13 | C16 | H16A | 134.1° | 30.0° |
C16 | C13 | C14 | C15 | 180.0° | 179.8° |
C13 | C16 | N4 | HN4 | 109.1° | 0.0° |
C16 | C13 | C12 | H12 | 0.1° | 0.1° |
C16 | C13 | C14 | H14 | 0.0° | 0.1° |
C13 | C16 | H16 | H16A | 118.7° | 119.9° |
C17 | C18 | C20 | H18 | 180.0° | 179.9° |
C18 | C17 | C19 | C21 | 0.2° | 0.3° |
C17 | C18 | C20 | C23 | 0.0° | 0.0° |
C18 | C17 | N5 | HN5 | 117.1° | 38.1° |
C18 | C17 | C19 | H19 | 179.8° | 179.7° |
C17 | C18 | C20 | H20 | 180.0° | 180.0° |
C19 | C17 | C18 | C20 | 0.1° | 0.3° |
C17 | C19 | C21 | H19 | 180.0° | 180.0° |
C17 | C19 | C21 | C23 | 0.1° | 0.0° |
C19 | C17 | N5 | HN5 | 62.8° | 141.6° |
C19 | C17 | C18 | H18 | 179.9° | 179.8° |
C17 | C19 | C21 | H21 | 179.9° | 180.0° |
C18 | C20 | C23 | H20 | 180.0° | 180.0° |
C18 | C20 | C23 | C21 | 0.0° | 0.3° |
C18 | C20 | C23 | C24 | 180.0° | 180.0° |
C19 | C21 | C23 | C20 | 0.1° | 0.3° |
C19 | C21 | C23 | H21 | 180.0° | 180.0° |
C19 | C21 | C23 | C24 | 180.0° | 180.0° |
C20 | C23 | C21 | C24 | 180.0° | 179.7° |
C23 | C20 | C18 | H18 | 180.0° | 180.0° |
C20 | C23 | C21 | H21 | 180.0° | 179.7° |
C23 | C21 | C19 | H19 | 179.8° | 180.0° |
C21 | C23 | C20 | H20 | 180.0° | 179.7° |
C24 | C23 | C20 | H20 | 0.0° | 0.0° |
C24 | C23 | C21 | H21 | 0.0° | 0.0° |
H4 | C4 | H4A | H4B | 120.0° | 120.1° |
HN4 | N4 | C16 | H16 | 10.9° | 120.0° |
HN4 | N4 | C16 | H16A | 130.9° | 119.9° |
H5 | C5 | C6 | H6 | 128.2° | 171.9° |
H5A | C5 | C6 | H6 | 111.8° | 68.1° |
H6 | C6 | C7 | H7 | 62.2° | 69.7° |
H6 | C6 | C7 | H7A | 177.9° | 50.3° |
H6 | C6 | C7 | H7B | 57.9° | 170.2° |
H6 | C6 | C8 | H8 | 62.1° | 60.0° |
H6 | C6 | C8 | H8A | 57.8° | 59.9° |
H6 | C6 | C8 | H8B | 177.9° | 180.0° |
H7 | C7 | H7A | H7B | 120.0° | 120.1° |
H8 | C8 | H8A | H8B | 120.0° | 120.0° |
H11 | C11 | C12 | H12 | 0.1° | 0.0° |
H14 | C14 | C15 | H15 | 0.1° | 0.2° |
H18 | C18 | C20 | H20 | 0.0° | 0.1° |
H19 | C19 | C21 | H21 | 0.1° | 0.0° |