0R4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
N6 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
C27 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
C24 | C23 | sing | 1.40Å | 1.49Å | Aromatic |
C24 | N7 | sing | 1.39Å | 1.37Å | |
C23 | C6 | sing | 1.48Å | 1.49Å | |
C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
O2 | C14 | doub | 1.22Å | 1.22Å | |
C6 | N2 | doub | 1.31Å | 1.37Å | Aromatic |
C6 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
C13 | C10 | sing | 1.51Å | 1.52Å | |
C13 | N4 | sing | 1.46Å | 1.45Å | |
C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C7 | N3 | sing | 1.40Å | 1.35Å | |
C7 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
N2 | C4 | sing | 1.35Å | 1.37Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
N3 | C5 | sing | 1.38Å | 1.32Å | Aromatic |
C14 | N4 | sing | 1.35Å | 1.32Å | |
C14 | C28 | sing | 1.48Å | 1.49Å | |
C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
C28 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.41Å | 1.47Å | Aromatic |
C4 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
C5 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | doub | 1.37Å | 1.41Å | Aromatic |
C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
C32 | F1 | sing | 1.35Å | 1.35Å | |
N1 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
C3 | C15 | sing | 1.48Å | 1.50Å | |
C20 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C17 | N5 | sing | 1.40Å | 1.37Å | |
O1 | C21 | doub | 1.21Å | 1.23Å | |
N5 | C21 | sing | 1.35Å | 1.35Å | |
C21 | C22 | sing | 1.51Å | 1.50Å | |
C22 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C22 | H3 | sing | 1.09Å | 1.10Å | |
N5 | H4 | sing | 0.97Å | 1.00Å | |
C18 | H5 | sing | 1.08Å | 1.08Å | |
C19 | H6 | sing | 1.08Å | 1.08Å | |
C20 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C2 | H9 | sing | 1.08Å | 1.08Å | |
C1 | H10 | sing | 1.08Å | 1.08Å | |
N7 | H11 | sing | 0.97Å | 1.00Å | |
N7 | H12 | sing | 0.97Å | 1.00Å | |
C25 | H13 | sing | 1.08Å | 1.08Å | |
C26 | H14 | sing | 1.08Å | 1.08Å | |
C27 | H15 | sing | 1.08Å | 1.08Å | |
C8 | H16 | sing | 1.08Å | 1.08Å | |
C9 | H17 | sing | 1.08Å | 1.08Å | |
C12 | H18 | sing | 1.08Å | 1.08Å | |
C11 | H19 | sing | 1.08Å | 1.08Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
N4 | H22 | sing | 0.97Å | 1.00Å | |
C33 | H23 | sing | 1.08Å | 1.08Å | |
C29 | H24 | sing | 1.08Å | 1.08Å | |
C30 | H25 | sing | 1.08Å | 1.08Å | |
C31 | H26 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C25 | N6 | 121.2° | 121.2° |
C25 | C26 | C27 | 120.0° | 119.5° |
C26 | C25 | H13 | 119.4° | 119.4° |
C25 | C26 | H14 | 120.0° | 120.3° |
C25 | N6 | C24 | 122.5° | 121.8° |
N6 | C25 | H13 | 119.4° | 119.4° |
C26 | C27 | C23 | 119.4° | 118.3° |
C27 | C26 | H14 | 120.0° | 120.2° |
C26 | C27 | H15 | 120.3° | 120.8° |
N6 | C24 | C23 | 118.2° | 120.4° |
N6 | C24 | N7 | 120.6° | 119.8° |
C27 | C23 | C24 | 118.6° | 118.8° |
C27 | C23 | C6 | 121.0° | 120.6° |
C23 | C27 | H15 | 120.3° | 120.9° |
C23 | C24 | N7 | 121.2° | 119.8° |
C24 | C23 | C6 | 120.4° | 120.6° |
C24 | N7 | H11 | 109.5° | 120.0° |
C24 | N7 | H12 | 109.5° | 120.0° |
C23 | C6 | N2 | 126.9° | 125.1° |
C23 | C6 | N3 | 127.1° | 125.2° |
C8 | C9 | C10 | 119.5° | 120.1° |
C9 | C8 | C7 | 123.3° | 119.9° |
C9 | C8 | H16 | 118.4° | 120.0° |
C8 | C9 | H17 | 120.2° | 119.9° |
C9 | C10 | C13 | 119.3° | 120.0° |
C9 | C10 | C11 | 119.3° | 120.1° |
C10 | C9 | H17 | 120.2° | 120.0° |
O2 | C14 | N4 | 120.2° | 120.0° |
O2 | C14 | C28 | 118.0° | 120.0° |
N2 | C6 | N3 | 106.0° | 109.7° |
C6 | N2 | C4 | 109.6° | 109.6° |
C6 | N3 | C7 | 127.3° | 126.4° |
C6 | N3 | C5 | 114.1° | 107.3° |
C10 | C13 | N4 | 109.8° | 109.5° |
C13 | C10 | C11 | 121.4° | 119.9° |
C10 | C13 | H20 | 109.4° | 109.5° |
C10 | C13 | H21 | 109.4° | 109.4° |
C13 | N4 | C14 | 118.0° | 120.0° |
N4 | C13 | H20 | 109.4° | 109.5° |
N4 | C13 | H21 | 109.4° | 109.5° |
C13 | N4 | H22 | 121.0° | 120.0° |
C8 | C7 | N3 | 120.3° | 120.0° |
C8 | C7 | C12 | 115.1° | 119.9° |
C7 | C8 | H16 | 118.4° | 120.1° |
C10 | C11 | C12 | 120.3° | 120.1° |
C10 | C11 | H19 | 119.8° | 120.0° |
N3 | C7 | C12 | 124.4° | 120.1° |
C7 | N3 | C5 | 118.3° | 126.3° |
C7 | C12 | C11 | 122.4° | 119.9° |
C7 | C12 | H18 | 118.8° | 120.0° |
N2 | C4 | C5 | 106.5° | 107.4° |
N2 | C4 | C1 | 136.4° | 133.5° |
C11 | C12 | H18 | 118.8° | 120.1° |
C12 | C11 | H19 | 119.9° | 119.9° |
N3 | C5 | C4 | 103.7° | 106.0° |
N3 | C5 | N1 | 134.9° | 133.6° |
N4 | C14 | C28 | 121.8° | 120.0° |
C14 | N4 | H22 | 121.0° | 120.0° |
C14 | C28 | C29 | 118.0° | 120.1° |
C14 | C28 | C33 | 121.8° | 120.2° |
C29 | C28 | C33 | 120.2° | 119.7° |
C28 | C29 | C30 | 120.4° | 119.9° |
C28 | C29 | H24 | 119.8° | 120.0° |
C28 | C33 | C32 | 118.7° | 119.8° |
C28 | C33 | H23 | 120.6° | 120.1° |
C5 | C4 | C1 | 117.0° | 119.1° |
C4 | C5 | N1 | 121.4° | 120.4° |
C4 | C1 | C2 | 119.1° | 118.4° |
C4 | C1 | H10 | 120.4° | 120.8° |
C5 | N1 | C3 | 121.3° | 121.3° |
C29 | C30 | C31 | 119.8° | 120.2° |
C30 | C29 | H24 | 119.8° | 120.1° |
C29 | C30 | H25 | 120.1° | 119.9° |
C33 | C32 | C31 | 121.0° | 120.1° |
C33 | C32 | F1 | 120.7° | 119.9° |
C32 | C33 | H23 | 120.7° | 120.1° |
C30 | C31 | C32 | 119.9° | 120.2° |
C31 | C30 | H25 | 120.1° | 119.9° |
C30 | C31 | H26 | 120.0° | 119.9° |
C1 | C2 | C3 | 121.3° | 119.6° |
C1 | C2 | H9 | 119.3° | 120.2° |
C2 | C1 | H10 | 120.5° | 120.8° |
C31 | C32 | F1 | 118.3° | 120.0° |
C32 | C31 | H26 | 120.0° | 119.9° |
N1 | C3 | C2 | 120.0° | 121.2° |
N1 | C3 | C15 | 117.8° | 119.4° |
C2 | C3 | C15 | 122.2° | 119.4° |
C3 | C2 | H9 | 119.4° | 120.2° |
C3 | C15 | C20 | 119.9° | 120.1° |
C3 | C15 | C16 | 121.0° | 120.1° |
C15 | C20 | C19 | 120.0° | 120.0° |
C20 | C15 | C16 | 119.1° | 119.8° |
C15 | C20 | H7 | 120.0° | 120.0° |
C20 | C19 | C18 | 120.8° | 120.2° |
C20 | C19 | H6 | 119.6° | 119.9° |
C19 | C20 | H7 | 120.0° | 120.1° |
C15 | C16 | C17 | 121.2° | 119.9° |
C15 | C16 | H8 | 119.4° | 120.0° |
C19 | C18 | C17 | 119.5° | 120.2° |
C19 | C18 | H5 | 120.3° | 119.9° |
C18 | C19 | H6 | 119.6° | 119.9° |
C16 | C17 | C18 | 119.4° | 120.0° |
C16 | C17 | N5 | 121.5° | 120.0° |
C17 | C16 | H8 | 119.4° | 120.1° |
C18 | C17 | N5 | 119.1° | 120.0° |
C17 | C18 | H5 | 120.3° | 119.9° |
C17 | N5 | C21 | 126.3° | 120.0° |
C17 | N5 | H4 | 116.9° | 120.0° |
O1 | C21 | N5 | 125.0° | 120.0° |
O1 | C21 | C22 | 121.3° | 120.0° |
N5 | C21 | C22 | 113.7° | 120.0° |
C21 | N5 | H4 | 116.8° | 120.0° |
C21 | C22 | H1 | 109.5° | 109.5° |
C21 | C22 | H2 | 109.5° | 109.5° |
C21 | C22 | H3 | 109.5° | 109.5° |
H1 | C22 | H2 | 109.5° | 109.5° |
H1 | C22 | H3 | 109.4° | 109.4° |
H2 | C22 | H3 | 109.5° | 109.5° |
H11 | N7 | H12 | 109.5° | 120.0° |
H20 | C13 | H21 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C25 | N6 | H13 | 180.0° | 179.8° |
C25 | C26 | C27 | H14 | 180.0° | 179.8° |
C26 | C25 | N6 | C24 | 0.1° | 0.0° |
C25 | C26 | C27 | C23 | 0.8° | 0.5° |
C25 | C26 | C27 | H15 | 179.2° | 180.0° |
N6 | C25 | C26 | C27 | 0.3° | 0.2° |
C25 | N6 | C24 | C23 | 0.1° | 0.0° |
C25 | N6 | C24 | N7 | 179.3° | 180.0° |
N6 | C25 | C26 | H14 | 179.7° | 180.0° |
C26 | C27 | C23 | H15 | 180.0° | 179.6° |
C26 | C27 | C23 | C24 | 0.8° | 0.5° |
C26 | C27 | C23 | C6 | 179.3° | 179.8° |
C27 | C26 | C25 | H13 | 179.7° | 180.0° |
N6 | C24 | C23 | C27 | 0.4° | 0.2° |
N6 | C24 | C23 | N7 | 179.4° | 180.0° |
N6 | C24 | C23 | C6 | 179.7° | 180.0° |
N6 | C24 | N7 | H11 | 0.0° | 174.2° |
N6 | C24 | N7 | H12 | 120.0° | 5.7° |
C24 | N6 | C25 | H13 | 179.8° | 179.7° |
C27 | C23 | C24 | C6 | 179.9° | 179.7° |
C27 | C23 | C24 | N7 | 179.8° | 179.8° |
C27 | C23 | C6 | N2 | 143.1° | 131.9° |
C27 | C23 | C6 | N3 | 36.2° | 48.1° |
C23 | C27 | C26 | H14 | 179.2° | 179.8° |
C24 | C23 | C6 | N2 | 36.8° | 47.9° |
C24 | C23 | C6 | N3 | 144.0° | 132.1° |
C23 | C24 | N7 | H11 | 179.4° | 5.8° |
C23 | C24 | N7 | H12 | 59.4° | 174.3° |
C24 | C23 | C27 | H15 | 179.2° | 180.0° |
N7 | C24 | C23 | C6 | 0.3° | 0.0° |
C24 | N7 | H11 | H12 | 120.0° | 179.9° |
C23 | C6 | N2 | N3 | 179.4° | 180.0° |
C23 | C6 | N3 | C7 | 5.6° | 0.1° |
C23 | C6 | N2 | C4 | 179.3° | 180.0° |
C23 | C6 | N3 | C5 | 178.1° | 179.9° |
C6 | C23 | C27 | H15 | 0.7° | 0.2° |
C8 | C9 | C10 | H17 | 180.0° | 180.0° |
C8 | C9 | C10 | C13 | 179.8° | 180.0° |
C9 | C8 | C7 | H16 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 1.9° | 0.3° |
C9 | C8 | C7 | N3 | 177.4° | 180.0° |
C9 | C8 | C7 | C12 | 2.3° | 0.2° |
C9 | C10 | C13 | C11 | 178.3° | 179.7° |
C9 | C10 | C13 | N4 | 140.3° | 90.0° |
C10 | C9 | C8 | C7 | 2.6° | 0.0° |
C9 | C10 | C11 | C12 | 1.1° | 0.3° |
C10 | C9 | C8 | H16 | 177.4° | 180.0° |
C9 | C10 | C11 | H19 | 178.9° | 179.8° |
C9 | C10 | C13 | H20 | 20.3° | 149.9° |
C9 | C10 | C13 | H21 | 99.6° | 30.0° |
O2 | C14 | N4 | C13 | 17.4° | 0.0° |
O2 | C14 | N4 | C28 | 179.4° | 180.0° |
O2 | C14 | C28 | C29 | 38.3° | 0.0° |
O2 | C14 | C28 | C33 | 140.2° | 179.8° |
O2 | C14 | N4 | H22 | 162.6° | 179.9° |
N2 | C6 | N3 | C7 | 175.0° | 179.9° |
N2 | C6 | N3 | C5 | 2.5° | 0.0° |
C6 | N2 | C4 | C5 | 0.1° | 0.0° |
C6 | N2 | C4 | C1 | 179.1° | 179.7° |
C6 | N3 | C7 | C8 | 48.3° | 66.2° |
C6 | N3 | C7 | C5 | 172.2° | 179.9° |
C6 | N3 | C7 | C12 | 137.0° | 113.6° |
N3 | C6 | N2 | C4 | 1.3° | 0.0° |
C6 | N3 | C5 | C4 | 2.5° | 0.0° |
C6 | N3 | C5 | N1 | 179.9° | 180.0° |
C10 | C13 | N4 | H20 | 120.0° | 120.0° |
C10 | C13 | N4 | H21 | 120.0° | 120.0° |
C13 | C10 | C11 | C12 | 179.4° | 180.0° |
C10 | C13 | N4 | C14 | 158.7° | 180.0° |
C13 | C10 | C9 | H17 | 0.2° | 0.0° |
C13 | C10 | C11 | H19 | 0.6° | 0.0° |
C10 | C13 | H20 | H21 | 119.9° | 119.9° |
C10 | C13 | N4 | H22 | 21.2° | 0.0° |
N4 | C13 | C10 | C11 | 41.4° | 89.7° |
C13 | N4 | C14 | H22 | 180.0° | 179.9° |
C13 | N4 | C14 | C28 | 162.0° | 180.0° |
N4 | C13 | H20 | H21 | 119.9° | 120.0° |
C8 | C7 | N3 | C12 | 174.7° | 179.7° |
C8 | C7 | C12 | C11 | 1.4° | 0.2° |
C8 | C7 | N3 | C5 | 123.9° | 113.9° |
C7 | C8 | C9 | H17 | 177.4° | 180.0° |
C8 | C7 | C12 | H18 | 178.6° | 179.7° |
C10 | C11 | C12 | C7 | 0.9° | 0.1° |
C10 | C11 | C12 | H19 | 180.0° | 179.9° |
C11 | C10 | C9 | H17 | 178.1° | 179.8° |
C10 | C11 | C12 | H18 | 179.1° | 180.0° |
C11 | C10 | C13 | H20 | 161.4° | 30.3° |
C11 | C10 | C13 | H21 | 78.7° | 150.3° |
N3 | C7 | C12 | C11 | 176.4° | 179.9° |
C7 | N3 | C5 | C4 | 175.7° | 179.9° |
C7 | N3 | C5 | N1 | 6.9° | 0.1° |
N3 | C7 | C8 | H16 | 2.6° | 0.0° |
N3 | C7 | C12 | H18 | 3.6° | 0.0° |
C7 | C12 | C11 | H18 | 180.0° | 179.9° |
C12 | C7 | N3 | C5 | 50.8° | 66.3° |
C12 | C7 | C8 | H16 | 177.7° | 179.7° |
C7 | C12 | C11 | H19 | 179.1° | 180.0° |
N2 | C4 | C5 | N3 | 1.5° | 0.0° |
N2 | C4 | C5 | C1 | 179.4° | 179.7° |
N2 | C4 | C5 | N1 | 179.4° | 180.0° |
N2 | C4 | C1 | C2 | 179.2° | 179.9° |
N2 | C4 | C1 | H10 | 0.8° | 0.1° |
N3 | C5 | C4 | N1 | 177.8° | 180.0° |
N3 | C5 | C4 | C1 | 177.8° | 179.7° |
N3 | C5 | N1 | C3 | 177.4° | 180.0° |
N4 | C14 | C28 | C29 | 142.3° | 180.0° |
N4 | C14 | C28 | C33 | 39.3° | 0.2° |
C14 | N4 | C13 | H20 | 81.2° | 60.0° |
C14 | N4 | C13 | H21 | 38.7° | 60.0° |
C14 | C28 | C29 | C33 | 178.4° | 179.7° |
C14 | C28 | C29 | C30 | 179.7° | 180.0° |
C14 | C28 | C33 | C32 | 179.1° | 180.0° |
C28 | C14 | N4 | H22 | 18.0° | 0.1° |
C14 | C28 | C33 | H23 | 0.9° | 0.0° |
C14 | C28 | C29 | H24 | 0.3° | 0.0° |
C28 | C29 | C30 | H24 | 180.0° | 180.0° |
C29 | C28 | C33 | C32 | 0.7° | 0.2° |
C28 | C29 | C30 | C31 | 1.3° | 0.1° |
C29 | C28 | C33 | H23 | 179.3° | 179.7° |
C28 | C29 | C30 | H25 | 178.7° | 180.0° |
C33 | C28 | C29 | C30 | 1.2° | 0.3° |
C28 | C33 | C32 | H23 | 180.0° | 180.0° |
C28 | C33 | C32 | C31 | 0.2° | 0.0° |
C28 | C33 | C32 | F1 | 179.4° | 180.0° |
C33 | C28 | C29 | H24 | 178.8° | 179.7° |
C5 | C4 | C1 | C2 | 0.1° | 0.3° |
C4 | C5 | N1 | C3 | 0.4° | 0.0° |
C5 | C4 | C1 | H10 | 179.9° | 179.8° |
C1 | C4 | C5 | N1 | 0.0° | 0.3° |
C4 | C1 | C2 | H10 | 180.0° | 180.0° |
C4 | C1 | C2 | C3 | 0.1° | 0.0° |
C4 | C1 | C2 | H9 | 179.8° | 180.0° |
C5 | N1 | C3 | C2 | 0.6° | 0.2° |
C5 | N1 | C3 | C15 | 179.8° | 180.0° |
C29 | C30 | C31 | H25 | 180.0° | 179.9° |
C29 | C30 | C31 | C32 | 0.8° | 0.2° |
C29 | C30 | C31 | H26 | 179.2° | 180.0° |
C33 | C32 | C31 | C30 | 0.3° | 0.3° |
C33 | C32 | C31 | F1 | 179.6° | 179.9° |
C33 | C32 | C31 | H26 | 179.7° | 179.9° |
C30 | C31 | C32 | H26 | 180.0° | 179.8° |
C30 | C31 | C32 | F1 | 179.4° | 179.8° |
C31 | C30 | C29 | H24 | 178.8° | 180.0° |
C1 | C2 | C3 | N1 | 0.5° | 0.2° |
C1 | C2 | C3 | H9 | 180.0° | 180.0° |
C1 | C2 | C3 | C15 | 180.0° | 180.0° |
C31 | C32 | C33 | H23 | 179.8° | 180.0° |
C32 | C31 | C30 | H25 | 179.2° | 179.7° |
F1 | C32 | C33 | H23 | 0.6° | 0.1° |
F1 | C32 | C31 | H26 | 0.7° | 0.0° |
N1 | C3 | C2 | C15 | 179.5° | 179.8° |
N1 | C3 | C15 | C20 | 37.8° | 175.3° |
N1 | C3 | C15 | C16 | 141.8° | 5.0° |
N1 | C3 | C2 | H9 | 179.5° | 179.8° |
C2 | C3 | C15 | C20 | 141.8° | 5.0° |
C2 | C3 | C15 | C16 | 38.7° | 174.8° |
C3 | C2 | C1 | H10 | 179.9° | 180.0° |
C3 | C15 | C20 | C16 | 179.6° | 179.8° |
C3 | C15 | C20 | C19 | 179.7° | 180.0° |
C3 | C15 | C16 | C17 | 179.9° | 179.7° |
C3 | C15 | C20 | H7 | 0.3° | 0.2° |
C3 | C15 | C16 | H8 | 0.1° | 0.0° |
C15 | C3 | C2 | H9 | 0.0° | 0.0° |
C15 | C20 | C19 | H7 | 180.0° | 179.8° |
C15 | C20 | C19 | C18 | 0.3° | 0.0° |
C20 | C15 | C16 | C17 | 0.6° | 0.5° |
C15 | C20 | C19 | H6 | 179.7° | 180.0° |
C20 | C15 | C16 | H8 | 179.4° | 179.8° |
C19 | C20 | C15 | C16 | 0.8° | 0.2° |
C20 | C19 | C18 | H6 | 180.0° | 180.0° |
C20 | C19 | C18 | C17 | 0.3° | 0.0° |
C20 | C19 | C18 | H5 | 179.7° | 180.0° |
C15 | C16 | C17 | H8 | 180.0° | 179.8° |
C15 | C16 | C17 | C18 | 0.1° | 0.5° |
C15 | C16 | C17 | N5 | 179.9° | 179.8° |
C16 | C15 | C20 | H7 | 179.3° | 180.0° |
C19 | C18 | C17 | C16 | 0.5° | 0.3° |
C19 | C18 | C17 | H5 | 180.0° | 179.9° |
C19 | C18 | C17 | N5 | 179.6° | 180.0° |
C18 | C19 | C20 | H7 | 179.7° | 179.8° |
C16 | C17 | C18 | N5 | 179.9° | 179.7° |
C16 | C17 | N5 | C21 | 30.8° | 33.5° |
C16 | C17 | N5 | H4 | 149.2° | 146.5° |
C16 | C17 | C18 | H5 | 179.5° | 179.7° |
C18 | C17 | N5 | C21 | 149.3° | 146.8° |
C18 | C17 | N5 | H4 | 30.7° | 33.2° |
C17 | C18 | C19 | H6 | 179.7° | 180.0° |
C18 | C17 | C16 | H8 | 179.9° | 179.7° |
C17 | N5 | C21 | O1 | 3.4° | 4.9° |
C17 | N5 | C21 | H4 | 180.0° | 179.9° |
C17 | N5 | C21 | C22 | 176.9° | 174.9° |
N5 | C17 | C18 | H5 | 0.4° | 0.0° |
N5 | C17 | C16 | H8 | 0.0° | 0.0° |
O1 | C21 | N5 | C22 | 179.7° | 179.8° |
O1 | C21 | C22 | H1 | 0.0° | 90.0° |
O1 | C21 | C22 | H2 | 120.0° | 150.0° |
O1 | C21 | C22 | H3 | 120.0° | 29.9° |
O1 | C21 | N5 | H4 | 176.7° | 175.2° |
N5 | C21 | C22 | H1 | 179.7° | 89.8° |
N5 | C21 | C22 | H2 | 59.7° | 30.3° |
N5 | C21 | C22 | H3 | 60.3° | 150.3° |
C21 | C22 | H1 | H2 | 120.0° | 120.1° |
C21 | C22 | H1 | H3 | 120.0° | 120.0° |
C21 | C22 | H2 | H3 | 120.0° | 120.0° |
C22 | C21 | N5 | H4 | 3.0° | 5.0° |
H1 | C22 | H2 | H3 | 120.0° | 119.9° |
H5 | C18 | C19 | H6 | 0.3° | 0.0° |
H6 | C19 | C20 | H7 | 0.3° | 0.2° |
H9 | C2 | C1 | H10 | 0.1° | 0.0° |
H13 | C25 | C26 | H14 | 0.3° | 0.2° |
H14 | C26 | C27 | H15 | 0.8° | 0.2° |
H16 | C8 | C9 | H17 | 2.6° | 0.1° |
H18 | C12 | C11 | H19 | 0.9° | 0.1° |
H20 | C13 | N4 | H22 | 98.8° | 120.1° |
H21 | C13 | N4 | H22 | 141.3° | 120.0° |
H24 | C29 | C30 | H25 | 1.2° | 0.0° |
H25 | C30 | C31 | H26 | 0.8° | 0.1° |