XAC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.22Å | 1.24Å | |
C1 | N2 | sing | 1.35Å | 1.37Å | |
C1 | C5 | sing | 1.41Å | 1.45Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | C4 | sing | 1.39Å | 1.42Å | |
N1 | C8 | sing | 1.46Å | 1.47Å | |
C2 | N2 | sing | 1.34Å | 1.39Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
N2 | C6 | sing | 1.46Å | 1.48Å | |
C3 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
C3 | N4 | sing | 1.36Å | 1.35Å | Aromatic |
C3 | C15 | sing | 1.48Å | 1.47Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.40Å | Aromatic |
O3 | C12 | sing | 1.36Å | 1.38Å | |
O3 | C18 | sing | 1.43Å | 1.42Å | |
C4 | C5 | doub | 1.39Å | 1.34Å | Aromatic |
N4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
O4 | C19 | doub | 1.21Å | 1.23Å | |
N5 | C19 | sing | 1.35Å | 1.34Å | |
N5 | C20 | sing | 1.46Å | 1.46Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
N6 | C21 | sing | 1.47Å | 1.45Å | |
C7 | C11 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
C12 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
C18 | C19 | sing | 1.51Å | 1.53Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
N6 | HN6 | sing | 1.01Å | 1.00Å | |
N6 | HN6A | sing | 1.01Å | 1.00Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C11 | H11B | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | N2 | 125.7° | 120.4° |
O1 | C1 | C5 | 120.2° | 120.4° |
N2 | C1 | C5 | 114.1° | 119.3° |
C1 | N2 | C2 | 124.2° | 121.0° |
C1 | N2 | C6 | 117.2° | 119.5° |
C1 | C5 | C4 | 124.2° | 119.1° |
C1 | C5 | N4 | 129.2° | 134.4° |
C2 | N1 | C4 | 120.3° | 120.1° |
C2 | N1 | C8 | 121.6° | 119.9° |
N1 | C2 | N2 | 119.0° | 121.7° |
N1 | C2 | O2 | 120.0° | 119.2° |
C4 | N1 | C8 | 118.0° | 120.0° |
N1 | C4 | N3 | 131.4° | 133.6° |
N1 | C4 | C5 | 118.1° | 118.8° |
N1 | C8 | C9 | 111.9° | 109.5° |
N1 | C8 | H8 | 108.7° | 109.4° |
N1 | C8 | H8A | 108.7° | 109.5° |
N2 | C2 | O2 | 121.0° | 119.2° |
C2 | N2 | C6 | 118.6° | 119.5° |
N2 | C6 | C7 | 111.4° | 109.5° |
N2 | C6 | H6 | 108.9° | 109.5° |
N2 | C6 | H6A | 108.8° | 109.5° |
N3 | C3 | N4 | 111.2° | 109.3° |
N3 | C3 | C15 | 124.0° | 125.4° |
C3 | N3 | C4 | 104.3° | 109.9° |
N4 | C3 | C15 | 124.7° | 125.3° |
C3 | N4 | C5 | 107.4° | 106.8° |
C3 | N4 | HN4 | 126.3° | 126.7° |
C3 | C15 | C14 | 120.6° | 120.1° |
C3 | C15 | C16 | 120.8° | 120.1° |
N3 | C4 | C5 | 110.6° | 107.6° |
C12 | O3 | C18 | 118.1° | 117.0° |
O3 | C12 | C13 | 124.5° | 119.9° |
O3 | C12 | C17 | 116.8° | 119.9° |
O3 | C18 | C19 | 109.0° | 109.5° |
O3 | C18 | H18 | 109.6° | 109.5° |
O3 | C18 | H18A | 109.6° | 109.5° |
C4 | C5 | N4 | 106.6° | 106.4° |
C5 | N4 | HN4 | 126.3° | 126.6° |
O4 | C19 | N5 | 122.5° | 120.0° |
O4 | C19 | C18 | 120.4° | 119.9° |
C19 | N5 | C20 | 125.6° | 120.0° |
N5 | C19 | C18 | 117.1° | 120.1° |
C19 | N5 | HN5 | 117.2° | 120.0° |
N5 | C20 | C21 | 109.9° | 109.5° |
C20 | N5 | HN5 | 117.2° | 120.0° |
N5 | C20 | H20 | 109.3° | 109.5° |
N5 | C20 | H20A | 109.3° | 109.5° |
C6 | C7 | C11 | 112.9° | 109.5° |
C7 | C6 | H6 | 108.8° | 109.5° |
C7 | C6 | H6A | 108.9° | 109.4° |
C6 | C7 | H7 | 108.4° | 109.5° |
C6 | C7 | H7A | 108.4° | 109.5° |
N6 | C21 | C20 | 110.5° | 109.4° |
C21 | N6 | HN6 | 109.5° | 111.0° |
C21 | N6 | HN6A | 109.5° | 111.0° |
N6 | C21 | H21 | 109.1° | 109.5° |
N6 | C21 | H21A | 109.1° | 109.4° |
C11 | C7 | H7 | 108.3° | 109.5° |
C11 | C7 | H7A | 108.4° | 109.5° |
C7 | C11 | H11 | 109.5° | 109.4° |
C7 | C11 | H11A | 109.5° | 109.5° |
C7 | C11 | H11B | 109.4° | 109.5° |
C8 | C9 | C10 | 112.3° | 109.4° |
C9 | C8 | H8 | 108.7° | 109.5° |
C9 | C8 | H8A | 108.7° | 109.5° |
C8 | C9 | H9 | 108.5° | 109.4° |
C8 | C9 | H9A | 108.5° | 109.5° |
C10 | C9 | H9 | 108.5° | 109.5° |
C10 | C9 | H9A | 108.5° | 109.5° |
C9 | C10 | H10 | 109.5° | 109.4° |
C9 | C10 | H10A | 109.5° | 109.5° |
C9 | C10 | H10B | 109.4° | 109.5° |
C13 | C12 | C17 | 118.6° | 120.2° |
C12 | C13 | C14 | 120.6° | 120.1° |
C12 | C13 | H13 | 119.7° | 120.0° |
C12 | C17 | C16 | 120.9° | 120.1° |
C12 | C17 | H17 | 119.6° | 120.0° |
C13 | C14 | C15 | 120.7° | 119.9° |
C14 | C13 | H13 | 119.7° | 119.9° |
C13 | C14 | H14 | 119.7° | 120.0° |
C14 | C15 | C16 | 118.7° | 119.9° |
C15 | C14 | H14 | 119.7° | 120.1° |
C15 | C16 | C17 | 120.5° | 119.9° |
C15 | C16 | H16 | 119.7° | 120.1° |
C17 | C16 | H16 | 119.7° | 120.1° |
C16 | C17 | H17 | 119.6° | 119.9° |
C19 | C18 | H18 | 109.6° | 109.5° |
C19 | C18 | H18A | 109.6° | 109.4° |
C21 | C20 | H20 | 109.3° | 109.4° |
C21 | C20 | H20A | 109.3° | 109.4° |
C20 | C21 | H21 | 109.1° | 109.5° |
C20 | C21 | H21A | 109.1° | 109.4° |
H6 | C6 | H6A | 110.1° | 109.5° |
HN6 | N6 | HN6A | 109.4° | 110.9° |
H7 | C7 | H7A | 110.5° | 109.5° |
H8 | C8 | H8A | 110.2° | 109.5° |
H9 | C9 | H9A | 110.4° | 109.5° |
H10 | C10 | H10A | 109.5° | 109.5° |
H10 | C10 | H10B | 109.5° | 109.5° |
H10A | C10 | H10B | 109.5° | 109.5° |
H11 | C11 | H11A | 109.5° | 109.5° |
H11 | C11 | H11B | 109.4° | 109.5° |
H11A | C11 | H11B | 109.5° | 109.5° |
H18 | C18 | H18A | 109.3° | 109.4° |
H20 | C20 | H20A | 109.6° | 109.5° |
H21 | C21 | H21A | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | N2 | C5 | 178.8° | 179.8° |
O1 | C1 | N2 | C2 | 178.5° | 180.0° |
O1 | C1 | N2 | C6 | 4.3° | 0.0° |
O1 | C1 | C5 | C4 | 179.9° | 179.9° |
O1 | C1 | C5 | N4 | 1.6° | 0.0° |
C1 | N2 | C2 | N1 | 3.3° | 0.0° |
C1 | N2 | C2 | C6 | 177.2° | 180.0° |
C1 | N2 | C2 | O2 | 177.5° | 179.7° |
N2 | C1 | C5 | C4 | 1.1° | 0.3° |
N2 | C1 | C5 | N4 | 177.2° | 179.7° |
C1 | N2 | C6 | C7 | 87.7° | 90.0° |
C1 | N2 | C6 | H6 | 32.3° | 150.0° |
C1 | N2 | C6 | H6A | 152.3° | 30.0° |
C1 | C5 | C4 | N1 | 0.1° | 0.0° |
C5 | C1 | N2 | C2 | 2.8° | 0.3° |
C5 | C1 | N2 | C6 | 174.4° | 179.7° |
C1 | C5 | N4 | C3 | 178.7° | 180.0° |
C1 | C5 | C4 | N3 | 179.1° | 179.8° |
C1 | C5 | C4 | N4 | 178.6° | 180.0° |
C1 | C5 | N4 | HN4 | 1.3° | 0.2° |
C2 | N1 | C4 | C8 | 178.3° | 179.8° |
N1 | C2 | N2 | O2 | 179.2° | 179.7° |
N1 | C2 | N2 | C6 | 173.9° | 180.0° |
C2 | N1 | C4 | N3 | 179.3° | 179.9° |
C2 | N1 | C4 | C5 | 0.3° | 0.2° |
C2 | N1 | C8 | C9 | 97.8° | 90.0° |
C2 | N1 | C8 | H8 | 142.2° | 150.0° |
C2 | N1 | C8 | H8A | 22.2° | 30.0° |
C4 | N1 | C2 | N2 | 1.9° | 0.3° |
C4 | N1 | C2 | O2 | 178.9° | 180.0° |
N1 | C4 | N3 | C3 | 178.5° | 179.9° |
N1 | C4 | N3 | C5 | 179.1° | 179.8° |
N1 | C4 | C5 | N4 | 178.7° | 180.0° |
C4 | N1 | C8 | C9 | 84.0° | 89.7° |
C4 | N1 | C8 | H8 | 36.0° | 30.2° |
C4 | N1 | C8 | H8A | 156.0° | 150.2° |
C8 | N1 | C2 | N2 | 176.3° | 180.0° |
C8 | N1 | C2 | O2 | 2.9° | 0.3° |
C8 | N1 | C4 | N3 | 1.1° | 0.2° |
C8 | N1 | C4 | C5 | 178.0° | 180.0° |
N1 | C8 | C9 | H8 | 120.0° | 120.0° |
N1 | C8 | C9 | H8A | 120.0° | 120.0° |
N1 | C8 | C9 | C10 | 172.7° | 180.0° |
N1 | C8 | H8 | H8A | 119.0° | 120.0° |
N1 | C8 | C9 | H9 | 67.4° | 60.0° |
N1 | C8 | C9 | H9A | 52.6° | 60.0° |
C2 | N2 | C6 | C7 | 89.7° | 90.0° |
C2 | N2 | C6 | H6 | 150.3° | 30.0° |
C2 | N2 | C6 | H6A | 30.3° | 150.0° |
O2 | C2 | N2 | C6 | 5.3° | 0.3° |
N2 | C6 | C7 | H6 | 120.0° | 120.0° |
N2 | C6 | C7 | H6A | 120.0° | 120.0° |
N2 | C6 | C7 | C11 | 174.0° | 180.0° |
N2 | C6 | H6 | H6A | 119.2° | 120.0° |
N2 | C6 | C7 | H7 | 54.0° | 60.0° |
N2 | C6 | C7 | H7A | 65.9° | 60.0° |
N3 | C3 | N4 | C15 | 178.8° | 179.6° |
C3 | N3 | C4 | C5 | 0.6° | 0.3° |
N3 | C3 | N4 | C5 | 0.2° | 0.2° |
N3 | C3 | C15 | C14 | 2.2° | 0.0° |
N3 | C3 | C15 | C16 | 178.9° | 180.0° |
N3 | C3 | N4 | HN4 | 179.7° | 180.0° |
N4 | C3 | N3 | C4 | 0.5° | 0.3° |
C3 | N4 | C5 | C4 | 0.2° | 0.0° |
C3 | N4 | C5 | HN4 | 180.0° | 179.8° |
N4 | C3 | C15 | C14 | 176.5° | 179.6° |
N4 | C3 | C15 | C16 | 2.4° | 0.5° |
C15 | C3 | N3 | C4 | 178.3° | 180.0° |
C15 | C3 | N4 | C5 | 178.6° | 179.8° |
C3 | C15 | C14 | C13 | 177.8° | 180.0° |
C3 | C15 | C14 | C16 | 178.9° | 180.0° |
C3 | C15 | C16 | C17 | 177.5° | 179.7° |
C15 | C3 | N4 | HN4 | 1.4° | 0.3° |
C3 | C15 | C14 | H14 | 2.2° | 0.0° |
C3 | C15 | C16 | H16 | 2.5° | 0.0° |
N3 | C4 | C5 | N4 | 0.5° | 0.2° |
O3 | C12 | C13 | C17 | 179.6° | 179.7° |
O3 | C12 | C13 | C14 | 177.7° | 180.0° |
O3 | C12 | C17 | C16 | 178.0° | 179.7° |
C12 | O3 | C18 | C19 | 169.4° | 180.0° |
O3 | C12 | C13 | H13 | 2.3° | 0.0° |
O3 | C12 | C17 | H17 | 2.0° | 0.0° |
C12 | O3 | C18 | H18 | 49.4° | 60.0° |
C12 | O3 | C18 | H18A | 70.6° | 60.0° |
O3 | C18 | C19 | O4 | 70.4° | 0.1° |
O3 | C18 | C19 | N5 | 109.3° | 180.0° |
C18 | O3 | C12 | C13 | 9.2° | 180.0° |
C18 | O3 | C12 | C17 | 170.3° | 0.3° |
O3 | C18 | C19 | H18 | 120.0° | 120.1° |
O3 | C18 | C19 | H18A | 120.0° | 120.0° |
O3 | C18 | H18 | H18A | 120.2° | 120.0° |
C4 | C5 | N4 | HN4 | 179.9° | 179.8° |
O4 | C19 | N5 | C18 | 179.7° | 179.9° |
O4 | C19 | N5 | C20 | 1.0° | 0.0° |
O4 | C19 | N5 | HN5 | 179.0° | 179.9° |
O4 | C19 | C18 | H18 | 169.6° | 120.0° |
O4 | C19 | C18 | H18A | 49.6° | 120.1° |
C19 | N5 | C20 | HN5 | 180.0° | 180.0° |
C19 | N5 | C20 | C21 | 178.7° | 180.0° |
N5 | C19 | C18 | H18 | 10.7° | 59.9° |
N5 | C19 | C18 | H18A | 130.7° | 60.0° |
C19 | N5 | C20 | H20 | 61.3° | 60.0° |
C19 | N5 | C20 | H20A | 58.7° | 60.0° |
N5 | C20 | C21 | N6 | 179.8° | 180.0° |
C20 | N5 | C19 | C18 | 179.3° | 180.0° |
N5 | C20 | C21 | H20 | 120.0° | 120.0° |
N5 | C20 | C21 | H20A | 120.0° | 120.0° |
N5 | C20 | H20 | H20A | 119.9° | 120.1° |
N5 | C20 | C21 | H21 | 60.1° | 60.0° |
N5 | C20 | C21 | H21A | 59.8° | 60.1° |
C6 | C7 | C11 | H7 | 120.0° | 120.0° |
C6 | C7 | C11 | H7A | 120.0° | 120.0° |
C7 | C6 | H6 | H6A | 119.2° | 120.0° |
C6 | C7 | H7 | H7A | 118.6° | 120.0° |
C6 | C7 | C11 | H11 | 180.0° | 180.0° |
C6 | C7 | C11 | H11A | 60.0° | 60.1° |
C6 | C7 | C11 | H11B | 60.0° | 60.0° |
N6 | C21 | C20 | H21 | 120.0° | 120.0° |
N6 | C21 | C20 | H21A | 120.0° | 119.9° |
C21 | N6 | HN6 | HN6A | 120.0° | 123.9° |
N6 | C21 | C20 | H20 | 60.2° | 60.0° |
N6 | C21 | C20 | H20A | 59.8° | 60.0° |
N6 | C21 | H21 | H21A | 119.6° | 120.0° |
C11 | C7 | C6 | H6 | 65.9° | 60.0° |
C11 | C7 | C6 | H6A | 54.0° | 60.0° |
C11 | C7 | H7 | H7A | 118.6° | 120.0° |
C7 | C11 | H11 | H11A | 120.0° | 120.0° |
C7 | C11 | H11 | H11B | 120.0° | 120.0° |
C7 | C11 | H11A | H11B | 120.0° | 120.1° |
C8 | C9 | C10 | H9 | 120.0° | 120.0° |
C8 | C9 | C10 | H9A | 120.0° | 120.0° |
C9 | C8 | H8 | H8A | 119.0° | 120.0° |
C8 | C9 | H9 | H9A | 118.8° | 119.9° |
C8 | C9 | C10 | H10 | 180.0° | 180.0° |
C8 | C9 | C10 | H10A | 60.0° | 60.0° |
C8 | C9 | C10 | H10B | 60.0° | 60.0° |
C10 | C9 | C8 | H8 | 52.6° | 60.0° |
C10 | C9 | C8 | H8A | 67.3° | 60.0° |
C10 | C9 | H9 | H9A | 118.8° | 120.1° |
C9 | C10 | H10 | H10A | 120.0° | 120.0° |
C9 | C10 | H10 | H10B | 120.0° | 120.0° |
C9 | C10 | H10A | H10B | 120.0° | 120.0° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.5° | 0.0° |
C13 | C12 | C17 | C16 | 1.6° | 0.5° |
C12 | C13 | C14 | H14 | 179.5° | 180.0° |
C13 | C12 | C17 | H17 | 178.4° | 179.7° |
C17 | C12 | C13 | C14 | 1.9° | 0.2° |
C12 | C17 | C16 | C15 | 0.0° | 0.5° |
C12 | C17 | C16 | H17 | 180.0° | 179.8° |
C17 | C12 | C13 | H13 | 178.1° | 179.7° |
C12 | C17 | C16 | H16 | 180.0° | 179.8° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 1.1° | 0.0° |
C14 | C15 | C16 | C17 | 1.4° | 0.3° |
C15 | C14 | C13 | H13 | 179.5° | 180.0° |
C14 | C15 | C16 | H16 | 178.6° | 180.0° |
C15 | C16 | C17 | H16 | 180.0° | 179.7° |
C16 | C15 | C14 | H14 | 178.8° | 180.0° |
C15 | C16 | C17 | H17 | 179.9° | 179.7° |
C18 | C19 | N5 | HN5 | 0.7° | 0.0° |
C19 | C18 | H18 | H18A | 120.2° | 119.9° |
C21 | C20 | N5 | HN5 | 1.3° | 0.0° |
C20 | C21 | N6 | HN6 | 180.0° | 180.0° |
C20 | C21 | N6 | HN6A | 60.0° | 56.1° |
C21 | C20 | H20 | H20A | 119.8° | 119.9° |
C20 | C21 | H21 | H21A | 119.5° | 120.0° |
HN5 | N5 | C20 | H20 | 118.7° | 120.0° |
HN5 | N5 | C20 | H20A | 121.3° | 120.0° |
H6 | C6 | C7 | H7 | 174.1° | 180.0° |
H6 | C6 | C7 | H7A | 54.1° | 60.0° |
H6A | C6 | C7 | H7 | 66.0° | 60.0° |
H6A | C6 | C7 | H7A | 174.1° | 180.0° |
HN6 | N6 | C21 | H21 | 60.0° | 60.0° |
HN6 | N6 | C21 | H21A | 60.0° | 60.1° |
HN6A | N6 | C21 | H21 | 60.0° | 63.9° |
HN6A | N6 | C21 | H21A | 180.0° | 176.1° |
H7 | C7 | C11 | H11 | 60.0° | 60.0° |
H7 | C7 | C11 | H11A | 180.0° | 180.0° |
H7 | C7 | C11 | H11B | 60.0° | 60.0° |
H7A | C7 | C11 | H11 | 60.0° | 60.0° |
H7A | C7 | C11 | H11A | 60.1° | 59.9° |
H7A | C7 | C11 | H11B | 180.0° | 180.0° |
H8 | C8 | C9 | H9 | 172.6° | 180.0° |
H8 | C8 | C9 | H9A | 67.4° | 60.0° |
H8A | C8 | C9 | H9 | 52.7° | 60.0° |
H8A | C8 | C9 | H9A | 172.7° | 180.0° |
H9 | C9 | C10 | H10 | 60.0° | 60.0° |
H9 | C9 | C10 | H10A | 180.0° | 180.0° |
H9 | C9 | C10 | H10B | 60.0° | 59.9° |
H9A | C9 | C10 | H10 | 60.0° | 60.0° |
H9A | C9 | C10 | H10A | 60.0° | 60.0° |
H9A | C9 | C10 | H10B | 180.0° | 180.0° |
H10 | C10 | H10A | H10B | 120.0° | 120.0° |
H11 | C11 | H11A | H11B | 120.0° | 120.0° |
H13 | C13 | C14 | H14 | 0.5° | 0.0° |
H16 | C16 | C17 | H17 | 0.1° | 0.0° |
H20 | C20 | C21 | H21 | 59.9° | 60.0° |
H20 | C20 | C21 | H21A | 179.8° | 179.9° |
H20A | C20 | C21 | H21 | 179.9° | 180.0° |
H20A | C20 | C21 | H21A | 60.2° | 60.0° |