R0T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | doub | 1.30Å | 1.31Å | Aromatic |
N1 | N | sing | 1.40Å | 1.36Å | Aromatic |
C | N | sing | 1.47Å | 1.46Å | |
C1 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
N | C2 | sing | 1.36Å | 1.37Å | Aromatic |
C3 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
C2 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
N8 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
C4 | N2 | sing | 1.38Å | 1.36Å | |
C4 | N6 | doub | 1.33Å | 1.32Å | Aromatic |
N2 | C5 | sing | 1.40Å | 1.38Å | |
C23 | C22 | sing | 1.51Å | 1.51Å | |
C24 | N6 | sing | 1.33Å | 1.35Å | Aromatic |
C24 | C25 | sing | 1.48Å | 1.47Å | |
C5 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
C25 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
C7 | C8 | sing | 1.48Å | 1.49Å | |
C29 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
O | C8 | doub | 1.21Å | 1.22Å | |
C8 | N3 | sing | 1.35Å | 1.35Å | |
F | C18 | sing | 1.40Å | 1.32Å | |
C28 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
N3 | C9 | sing | 1.40Å | 1.42Å | |
C19 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C19 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | F2 | sing | 1.40Å | 1.31Å | |
C18 | C17 | sing | 1.51Å | 1.49Å | |
C18 | F1 | sing | 1.40Å | 1.33Å | |
C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | N4 | sing | 1.40Å | 1.43Å | |
N4 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
N4 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
C15 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
C12 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
C13 | N5 | sing | 1.34Å | 1.40Å | Aromatic |
C13 | C14 | sing | 1.51Å | 1.50Å | |
N3 | H6 | sing | 0.97Å | 1.00Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å | |
C15 | H12 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C21 | H16 | sing | 1.08Å | 1.08Å | |
C26 | H20 | sing | 1.08Å | 1.08Å | |
C28 | H22 | sing | 1.08Å | 1.08Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C14 | H11 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C23 | H19 | sing | 1.09Å | 1.10Å | |
C23 | H17 | sing | 1.09Å | 1.10Å | |
C23 | H18 | sing | 1.09Å | 1.10Å | |
C27 | H21 | sing | 1.08Å | 1.08Å | |
C29 | H23 | sing | 1.08Å | 1.08Å | |
N2 | H4 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | N | 106.6° | 109.8° |
N1 | C1 | C3 | 111.1° | 108.5° |
N1 | C1 | H3 | 124.5° | 125.8° |
N1 | N | C | 121.4° | 125.9° |
N1 | N | C2 | 110.8° | 108.2° |
C | N | C2 | 127.8° | 125.9° |
N | C | H1 | 109.5° | 109.5° |
N | C | H2 | 109.4° | 109.5° |
N | C | H | 109.4° | 109.4° |
C1 | C3 | C2 | 104.6° | 107.1° |
C1 | C3 | C4 | 140.8° | 134.5° |
C3 | C1 | H3 | 124.4° | 125.7° |
N | C2 | C3 | 106.9° | 106.5° |
N | C2 | N8 | 127.5° | 134.5° |
C2 | C3 | C4 | 114.4° | 118.4° |
C3 | C2 | N8 | 125.6° | 118.9° |
C3 | C4 | N2 | 122.2° | 120.8° |
C3 | C4 | N6 | 121.4° | 118.5° |
C2 | N8 | C24 | 114.2° | 120.7° |
N8 | C24 | N6 | 126.2° | 122.4° |
N8 | C24 | C25 | 118.2° | 118.8° |
N2 | C4 | N6 | 115.9° | 120.8° |
C4 | N2 | C5 | 132.7° | 120.0° |
C4 | N2 | H4 | 113.7° | 120.0° |
C4 | N6 | C24 | 118.1° | 121.2° |
N2 | C5 | C22 | 116.5° | 120.0° |
N2 | C5 | C6 | 123.3° | 120.0° |
C5 | N2 | H4 | 113.6° | 120.0° |
C23 | C22 | C5 | 121.5° | 119.9° |
C23 | C22 | C21 | 120.6° | 119.9° |
C22 | C23 | H19 | 109.5° | 109.4° |
C22 | C23 | H17 | 109.5° | 109.5° |
C22 | C23 | H18 | 109.4° | 109.5° |
N6 | C24 | C25 | 115.6° | 118.8° |
C24 | C25 | C26 | 121.9° | 120.6° |
C24 | C25 | C29 | 121.6° | 120.5° |
C22 | C5 | C6 | 119.4° | 120.0° |
C5 | C22 | C21 | 118.0° | 120.2° |
C5 | C6 | C7 | 121.8° | 119.8° |
C5 | C6 | H5 | 119.1° | 120.1° |
C22 | C21 | C20 | 121.8° | 120.2° |
C22 | C21 | H16 | 119.1° | 119.9° |
C6 | C7 | C20 | 118.3° | 119.8° |
C6 | C7 | C8 | 116.6° | 120.1° |
C7 | C6 | H5 | 119.1° | 120.1° |
C26 | C25 | C29 | 116.5° | 118.9° |
C25 | C26 | C27 | 120.6° | 118.3° |
C25 | C26 | H20 | 119.7° | 120.9° |
C25 | C29 | N7 | 124.1° | 120.5° |
C25 | C29 | H23 | 117.9° | 119.7° |
C26 | C27 | C28 | 118.2° | 119.3° |
C27 | C26 | H20 | 119.7° | 120.8° |
C26 | C27 | H21 | 120.9° | 120.3° |
C21 | C20 | C7 | 120.5° | 120.0° |
C21 | C20 | H15 | 119.8° | 120.0° |
C20 | C21 | H16 | 119.1° | 119.9° |
C20 | C7 | C8 | 124.9° | 120.1° |
C7 | C20 | H15 | 119.7° | 120.0° |
C7 | C8 | O | 120.3° | 120.0° |
C7 | C8 | N3 | 117.0° | 119.9° |
C29 | N7 | C28 | 117.1° | 121.9° |
N7 | C29 | H23 | 117.9° | 119.7° |
C27 | C28 | N7 | 123.5° | 121.0° |
C27 | C28 | H22 | 118.3° | 119.5° |
C28 | C27 | H21 | 120.9° | 120.4° |
O | C8 | N3 | 122.6° | 120.0° |
C8 | N3 | C9 | 126.7° | 119.9° |
C8 | N3 | H6 | 116.7° | 120.0° |
F | C18 | F2 | 106.6° | 109.5° |
F | C18 | C17 | 111.9° | 109.5° |
F | C18 | F1 | 108.1° | 109.4° |
N7 | C28 | H22 | 118.2° | 119.5° |
N3 | C9 | C19 | 123.2° | 120.1° |
N3 | C9 | C10 | 116.8° | 120.0° |
C9 | N3 | H6 | 116.7° | 120.0° |
C9 | C19 | C17 | 119.7° | 120.1° |
C19 | C9 | C10 | 120.0° | 119.9° |
C9 | C19 | H14 | 120.2° | 119.9° |
C19 | C17 | C18 | 119.4° | 119.9° |
C19 | C17 | C16 | 120.0° | 120.1° |
C17 | C19 | H14 | 120.2° | 120.0° |
F2 | C18 | C17 | 112.1° | 109.5° |
F2 | C18 | F1 | 104.0° | 109.5° |
C17 | C18 | F1 | 113.6° | 109.4° |
C18 | C17 | C16 | 120.6° | 120.0° |
C9 | C10 | C11 | 120.1° | 119.9° |
C9 | C10 | H7 | 119.9° | 120.1° |
C17 | C16 | C11 | 119.8° | 120.1° |
C17 | C16 | H13 | 120.1° | 120.0° |
C10 | C11 | C16 | 120.4° | 120.0° |
C10 | C11 | N4 | 119.8° | 120.0° |
C11 | C10 | H7 | 119.9° | 120.0° |
C16 | C11 | N4 | 119.6° | 120.0° |
C11 | C16 | H13 | 120.1° | 120.0° |
C11 | N4 | C15 | 126.0° | 126.5° |
C11 | N4 | C12 | 127.3° | 126.5° |
C15 | N4 | C12 | 106.6° | 107.1° |
N4 | C15 | C13 | 106.1° | 106.8° |
N4 | C15 | H12 | 126.9° | 126.6° |
N4 | C12 | N5 | 112.4° | 108.6° |
N4 | C12 | H8 | 123.8° | 125.8° |
C15 | C13 | N5 | 110.1° | 108.2° |
C15 | C13 | C14 | 128.8° | 125.9° |
C13 | C15 | H12 | 126.9° | 126.6° |
C12 | N5 | C13 | 104.7° | 109.3° |
N5 | C12 | H8 | 123.8° | 125.7° |
N5 | C13 | C14 | 121.1° | 125.9° |
C13 | C14 | H11 | 109.5° | 109.5° |
C13 | C14 | H10 | 109.5° | 109.5° |
C13 | C14 | H9 | 109.5° | 109.5° |
H1 | C | H2 | 109.5° | 109.5° |
H1 | C | H | 109.4° | 109.5° |
H2 | C | H | 109.5° | 109.5° |
H11 | C14 | H10 | 109.5° | 109.5° |
H11 | C14 | H9 | 109.5° | 109.4° |
H10 | C14 | H9 | 109.5° | 109.5° |
H19 | C23 | H17 | 109.4° | 109.5° |
H19 | C23 | H18 | 109.5° | 109.5° |
H17 | C23 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | N | C | 178.8° | 179.9° |
N1 | C1 | C3 | H3 | 180.0° | 180.0° |
C1 | N1 | N | C2 | 0.8° | 0.0° |
N1 | C1 | C3 | C2 | 0.7° | 0.0° |
N1 | C1 | C3 | C4 | 173.9° | 180.0° |
N1 | N | C | C2 | 177.7° | 179.9° |
N | N1 | C1 | C3 | 0.9° | 0.0° |
N1 | N | C2 | C3 | 0.3° | 0.0° |
N1 | N | C2 | N8 | 177.1° | 180.0° |
N1 | N | C | H1 | 0.0° | 89.9° |
N1 | N | C | H2 | 120.0° | 150.0° |
N1 | N | C | H | 120.0° | 30.1° |
N | N1 | C1 | H3 | 179.0° | 180.0° |
C | N | C2 | C3 | 178.2° | 180.0° |
C | N | C2 | N8 | 0.7° | 0.1° |
N | C | H1 | H2 | 120.0° | 120.0° |
N | C | H1 | H | 120.0° | 120.0° |
N | C | H2 | H | 120.0° | 119.9° |
C1 | C3 | C2 | N | 0.2° | 0.0° |
C1 | C3 | C2 | C4 | 176.3° | 180.0° |
C1 | C3 | C2 | N8 | 177.8° | 180.0° |
C1 | C3 | C4 | N2 | 12.9° | 0.0° |
C1 | C3 | C4 | N6 | 176.1° | 180.0° |
N | C2 | C3 | N8 | 177.5° | 179.9° |
N | C2 | C3 | C4 | 176.1° | 180.0° |
N | C2 | N8 | C24 | 176.8° | 180.0° |
C2 | N | C | H1 | 177.7° | 90.0° |
C2 | N | C | H2 | 57.7° | 30.1° |
C2 | N | C | H | 62.3° | 150.0° |
C3 | C2 | N8 | C24 | 0.2° | 0.0° |
C2 | C3 | C4 | N2 | 172.8° | 180.0° |
C2 | C3 | C4 | N6 | 1.7° | 0.0° |
C2 | C3 | C1 | H3 | 179.2° | 180.0° |
C4 | C3 | C2 | N8 | 1.5° | 0.1° |
C3 | C4 | N2 | N6 | 171.5° | 180.0° |
C3 | C4 | N2 | C5 | 169.4° | 174.6° |
C3 | C4 | N6 | C24 | 0.8° | 0.0° |
C4 | C3 | C1 | H3 | 6.1° | 0.0° |
C3 | C4 | N2 | H4 | 10.5° | 5.4° |
C2 | N8 | C24 | N6 | 1.0° | 0.0° |
C2 | N8 | C24 | C25 | 178.9° | 179.9° |
N8 | C24 | N6 | C4 | 0.7° | 0.1° |
N8 | C24 | N6 | C25 | 179.9° | 179.9° |
N8 | C24 | C25 | C26 | 2.7° | 177.1° |
N8 | C24 | C25 | C29 | 179.7° | 2.8° |
C4 | N2 | C5 | H4 | 180.0° | 180.0° |
N2 | C4 | N6 | C24 | 172.3° | 179.9° |
C4 | N2 | C5 | C22 | 99.1° | 142.5° |
C4 | N2 | C5 | C6 | 70.8° | 37.2° |
N6 | C4 | N2 | C5 | 19.0° | 5.4° |
C4 | N6 | C24 | C25 | 179.2° | 179.9° |
N6 | C4 | N2 | H4 | 161.0° | 174.7° |
N2 | C5 | C22 | C23 | 4.6° | 0.3° |
N2 | C5 | C22 | C6 | 170.3° | 179.7° |
N2 | C5 | C22 | C21 | 173.8° | 179.7° |
N2 | C5 | C6 | C7 | 176.0° | 179.7° |
N2 | C5 | C6 | H5 | 4.0° | 0.3° |
C23 | C22 | C5 | C21 | 178.4° | 180.0° |
C23 | C22 | C5 | C6 | 174.9° | 180.0° |
C23 | C22 | C21 | C20 | 179.4° | 180.0° |
C23 | C22 | C21 | H16 | 0.6° | 0.0° |
C22 | C23 | H19 | H17 | 120.0° | 120.0° |
C22 | C23 | H19 | H18 | 120.0° | 120.0° |
C22 | C23 | H17 | H18 | 120.0° | 120.0° |
N6 | C24 | C25 | C26 | 177.2° | 3.0° |
N6 | C24 | C25 | C29 | 0.4° | 177.1° |
C24 | C25 | C26 | C29 | 177.8° | 180.0° |
C24 | C25 | C26 | C27 | 178.1° | 180.0° |
C24 | C25 | C29 | N7 | 178.4° | 179.9° |
C24 | C25 | C26 | H20 | 1.9° | 0.4° |
C24 | C25 | C29 | H23 | 1.6° | 0.0° |
C22 | C5 | C6 | C7 | 6.4° | 0.0° |
C5 | C22 | C21 | C20 | 1.0° | 0.0° |
C22 | C5 | C6 | H5 | 173.6° | 180.0° |
C5 | C22 | C21 | H16 | 179.0° | 180.0° |
C5 | C22 | C23 | H19 | 89.2° | 90.0° |
C5 | C22 | C23 | H17 | 150.8° | 150.0° |
C5 | C22 | C23 | H18 | 30.8° | 30.0° |
C22 | C5 | N2 | H4 | 81.0° | 37.5° |
C6 | C5 | C22 | C21 | 3.5° | 0.0° |
C5 | C6 | C7 | H5 | 180.0° | 180.0° |
C5 | C6 | C7 | C20 | 4.6° | 0.0° |
C5 | C6 | C7 | C8 | 169.6° | 180.0° |
C6 | C5 | N2 | H4 | 109.2° | 142.8° |
C22 | C21 | C20 | H16 | 180.0° | 179.9° |
C22 | C21 | C20 | C7 | 2.8° | 0.1° |
C22 | C21 | C20 | H15 | 177.2° | 179.9° |
C21 | C22 | C23 | H19 | 89.2° | 90.0° |
C21 | C22 | C23 | H17 | 30.8° | 30.0° |
C21 | C22 | C23 | H18 | 150.8° | 150.0° |
C6 | C7 | C20 | C21 | 0.0° | 0.0° |
C6 | C7 | C20 | C8 | 173.6° | 180.0° |
C6 | C7 | C8 | O | 5.0° | 4.6° |
C6 | C7 | C8 | N3 | 171.6° | 175.5° |
C6 | C7 | C20 | H15 | 179.9° | 179.9° |
C25 | C26 | C27 | H20 | 180.0° | 179.6° |
C26 | C25 | C29 | N7 | 0.6° | 0.0° |
C25 | C26 | C27 | C28 | 0.1° | 0.3° |
C25 | C26 | C27 | H21 | 179.9° | 179.7° |
C26 | C25 | C29 | H23 | 179.4° | 180.0° |
C29 | C25 | C26 | C27 | 0.4° | 0.0° |
C25 | C29 | N7 | H23 | 180.0° | 180.0° |
C25 | C29 | N7 | C28 | 0.3° | 0.3° |
C29 | C25 | C26 | H20 | 179.6° | 179.7° |
C26 | C27 | C28 | H21 | 180.0° | 180.0° |
C26 | C27 | C28 | N7 | 0.4° | 0.6° |
C26 | C27 | C28 | H22 | 179.6° | 180.0° |
C21 | C20 | C7 | H15 | 180.0° | 179.9° |
C21 | C20 | C7 | C8 | 173.7° | 179.9° |
C20 | C7 | C8 | O | 178.7° | 175.4° |
C20 | C7 | C8 | N3 | 2.1° | 4.5° |
C20 | C7 | C6 | H5 | 175.4° | 180.0° |
C7 | C20 | C21 | H16 | 177.2° | 180.0° |
C7 | C8 | O | N3 | 176.4° | 179.9° |
C7 | C8 | N3 | C9 | 169.7° | 171.3° |
C7 | C8 | N3 | H6 | 10.2° | 8.7° |
C8 | C7 | C6 | H5 | 10.4° | 0.0° |
C8 | C7 | C20 | H15 | 6.3° | 0.1° |
C29 | N7 | C28 | C27 | 0.2° | 0.6° |
C29 | N7 | C28 | H22 | 179.8° | 180.0° |
C27 | C28 | N7 | H22 | 180.0° | 179.4° |
C28 | C27 | C26 | H20 | 179.9° | 179.9° |
O | C8 | N3 | C9 | 6.8° | 8.6° |
O | C8 | N3 | H6 | 173.3° | 171.3° |
C8 | N3 | C9 | H6 | 180.0° | 180.0° |
C8 | N3 | C9 | C19 | 18.8° | 30.1° |
C8 | N3 | C9 | C10 | 160.2° | 149.9° |
F | C18 | C17 | C19 | 46.4° | 35.4° |
F | C18 | F2 | C17 | 122.8° | 120.0° |
F | C18 | F2 | F1 | 114.0° | 120.0° |
F | C18 | C17 | F1 | 122.8° | 120.0° |
F | C18 | C17 | C16 | 136.3° | 145.1° |
N7 | C28 | C27 | H21 | 179.6° | 179.4° |
C28 | N7 | C29 | H23 | 179.7° | 179.7° |
N3 | C9 | C19 | C10 | 179.0° | 180.0° |
N3 | C9 | C19 | C17 | 180.0° | 179.5° |
N3 | C9 | C10 | C11 | 179.1° | 179.9° |
N3 | C9 | C10 | H7 | 1.0° | 0.3° |
N3 | C9 | C19 | H14 | 0.0° | 0.0° |
C9 | C19 | C17 | H14 | 180.0° | 179.5° |
C9 | C19 | C17 | C18 | 177.0° | 179.8° |
C9 | C19 | C17 | C16 | 0.3° | 0.7° |
C19 | C9 | C10 | C11 | 1.9° | 0.0° |
C19 | C9 | N3 | H6 | 161.2° | 149.9° |
C19 | C9 | C10 | H7 | 178.1° | 179.7° |
C19 | C17 | C18 | F2 | 73.3° | 84.6° |
C19 | C17 | C18 | C16 | 177.3° | 179.5° |
C19 | C17 | C18 | F1 | 169.2° | 155.3° |
C17 | C19 | C9 | C10 | 1.1° | 0.5° |
C19 | C17 | C16 | C11 | 0.9° | 0.5° |
C19 | C17 | C16 | H13 | 179.1° | 179.5° |
F2 | C18 | C17 | F1 | 117.6° | 120.0° |
F2 | C18 | C17 | C16 | 104.0° | 94.8° |
C18 | C17 | C16 | C11 | 176.4° | 180.0° |
C18 | C17 | C16 | H13 | 3.6° | 0.0° |
C18 | C17 | C19 | H14 | 3.0° | 0.3° |
F1 | C18 | C17 | C16 | 13.5° | 25.2° |
C9 | C10 | C11 | H7 | 180.0° | 179.7° |
C9 | C10 | C11 | C16 | 1.3° | 0.3° |
C9 | C10 | C11 | N4 | 174.1° | 179.7° |
C10 | C9 | N3 | H6 | 19.8° | 30.1° |
C10 | C9 | C19 | H14 | 178.9° | 180.0° |
C17 | C16 | C11 | C10 | 0.1° | 0.0° |
C17 | C16 | C11 | H13 | 180.0° | 180.0° |
C17 | C16 | C11 | N4 | 175.5° | 180.0° |
C16 | C17 | C19 | H14 | 179.7° | 179.7° |
C10 | C11 | C16 | N4 | 175.5° | 180.0° |
C10 | C11 | N4 | C15 | 118.6° | 0.1° |
C10 | C11 | N4 | C12 | 56.4° | 179.9° |
C10 | C11 | C16 | H13 | 180.0° | 180.0° |
C16 | C11 | N4 | C15 | 56.9° | 179.9° |
C16 | C11 | N4 | C12 | 128.1° | 0.1° |
C16 | C11 | C10 | H7 | 178.6° | 180.0° |
C11 | N4 | C15 | C12 | 175.9° | 179.9° |
C11 | N4 | C15 | C13 | 174.7° | 179.9° |
C11 | N4 | C12 | N5 | 175.0° | 179.9° |
N4 | C11 | C10 | H7 | 5.9° | 0.0° |
C11 | N4 | C15 | H12 | 5.3° | 0.2° |
C11 | N4 | C12 | H8 | 5.0° | 0.1° |
N4 | C11 | C16 | H13 | 4.5° | 0.0° |
N4 | C15 | C13 | H12 | 180.0° | 179.9° |
C15 | N4 | C12 | N5 | 0.8° | 0.1° |
N4 | C15 | C13 | N5 | 1.2° | 0.1° |
N4 | C15 | C13 | C14 | 177.3° | 179.7° |
C15 | N4 | C12 | H8 | 179.3° | 180.0° |
C12 | N4 | C15 | C13 | 1.1° | 0.1° |
N4 | C12 | N5 | H8 | 180.0° | 179.9° |
N4 | C12 | N5 | C13 | 0.1° | 0.0° |
C12 | N4 | C15 | H12 | 178.8° | 180.0° |
C15 | C13 | N5 | C12 | 0.7° | 0.0° |
C15 | C13 | N5 | C14 | 178.6° | 179.7° |
C15 | C13 | C14 | H11 | 178.3° | 90.3° |
C15 | C13 | C14 | H10 | 61.7° | 29.7° |
C15 | C13 | C14 | H9 | 58.2° | 149.7° |
C12 | N5 | C13 | C14 | 177.9° | 179.7° |
N5 | C13 | C15 | H12 | 178.8° | 180.0° |
C13 | N5 | C12 | H8 | 180.0° | 180.0° |
N5 | C13 | C14 | H11 | 0.0° | 90.0° |
N5 | C13 | C14 | H10 | 120.0° | 150.0° |
N5 | C13 | C14 | H9 | 120.0° | 30.0° |
C14 | C13 | C15 | H12 | 2.7° | 0.2° |
C13 | C14 | H11 | H10 | 120.0° | 120.0° |
C13 | C14 | H11 | H9 | 120.0° | 120.0° |
C13 | C14 | H10 | H9 | 120.0° | 120.1° |
H15 | C20 | C21 | H16 | 2.8° | 0.1° |
H20 | C26 | C27 | H21 | 0.1° | 0.0° |
H22 | C28 | C27 | H21 | 0.4° | 0.0° |
H1 | C | H2 | H | 120.0° | 120.0° |
H11 | C14 | H10 | H9 | 120.0° | 119.9° |
H19 | C23 | H17 | H18 | 120.0° | 120.1° |