O69
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.53Å | 1.53Å | |
C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | N | sing | 1.47Å | 1.47Å | |
O1 | C12 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
C2 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
N | C12 | sing | 1.35Å | 1.34Å | |
C12 | C13 | sing | 1.48Å | 1.50Å | |
C29 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
C5 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
C11 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
C30 | C31 | doub | 1.36Å | 1.36Å | Aromatic |
C18 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
C21 | C24 | sing | 1.54Å | 1.55Å | |
C21 | C22 | sing | 1.51Å | 1.49Å | |
C21 | C20 | sing | 1.54Å | 1.55Å | |
N2 | C23 | sing | 1.47Å | 1.45Å | |
N2 | C22 | sing | 1.35Å | 1.32Å | |
C6 | C7 | sing | 1.36Å | 1.36Å | Aromatic |
C24 | C19 | sing | 1.54Å | 1.53Å | |
C10 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
C19 | N1 | sing | 1.46Å | 1.46Å | |
C19 | C20 | sing | 1.54Å | 1.54Å | |
C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
N1 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
C17 | N4 | sing | 1.36Å | 1.40Å | Aromatic |
C22 | O | doub | 1.21Å | 1.22Å | |
C27 | C26 | doub | 1.42Å | 1.42Å | Aromatic |
C27 | C32 | sing | 1.42Å | 1.42Å | Aromatic |
C31 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
C25 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
C25 | C26 | sing | 1.48Å | 1.49Å | |
C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C26 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
C32 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
C34 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C33 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
N2 | H3 | sing | 0.97Å | 1.00Å | |
C9 | H4 | sing | 1.08Å | 1.08Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C4 | H7 | sing | 1.08Å | 1.08Å | |
C3 | H8 | sing | 1.08Å | 1.08Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
C | H11 | sing | 1.09Å | 1.10Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C20 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C21 | H20 | sing | 1.09Å | 1.10Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C28 | H26 | sing | 1.08Å | 1.08Å | |
C29 | H27 | sing | 1.08Å | 1.08Å | |
C30 | H28 | sing | 1.08Å | 1.08Å | |
C31 | H29 | sing | 1.08Å | 1.08Å | |
C33 | H30 | sing | 1.08Å | 1.08Å | |
C34 | H31 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C1 | C2 | 112.5° | 109.5° |
C | C1 | N | 109.6° | 109.5° |
C | C1 | H5 | 107.0° | 109.5° |
C1 | C | H10 | 109.5° | 109.5° |
C1 | C | H11 | 109.4° | 109.5° |
C1 | C | H12 | 109.5° | 109.5° |
C4 | C3 | C2 | 121.3° | 121.0° |
C3 | C4 | C5 | 121.1° | 119.7° |
C3 | C4 | H7 | 119.4° | 120.2° |
C4 | C3 | H8 | 119.4° | 119.5° |
C3 | C2 | C1 | 119.4° | 119.5° |
C3 | C2 | C11 | 119.2° | 121.0° |
C2 | C3 | H8 | 119.3° | 119.5° |
C2 | C1 | N | 112.7° | 109.4° |
C1 | C2 | C11 | 121.5° | 119.5° |
C2 | C1 | H5 | 107.1° | 109.5° |
C1 | N | C12 | 121.3° | 120.0° |
N | C1 | H5 | 107.7° | 109.4° |
C1 | N | H9 | 119.3° | 120.0° |
O1 | C12 | N | 121.5° | 120.0° |
O1 | C12 | C13 | 120.7° | 120.0° |
C4 | C5 | C6 | 123.0° | 121.3° |
C4 | C5 | C10 | 118.0° | 119.3° |
C5 | C4 | H7 | 119.4° | 120.1° |
C2 | C11 | C10 | 121.4° | 119.6° |
C2 | C11 | H13 | 119.3° | 120.2° |
N | C12 | C13 | 117.7° | 120.0° |
C12 | N | H9 | 119.4° | 120.0° |
C12 | C13 | C14 | 119.1° | 120.2° |
C12 | C13 | C18 | 122.2° | 120.3° |
C28 | C29 | C30 | 120.6° | 121.0° |
C29 | C28 | C27 | 121.2° | 119.5° |
C29 | C28 | H26 | 119.4° | 120.2° |
C28 | C29 | H27 | 119.7° | 119.5° |
C29 | C30 | C31 | 120.5° | 121.0° |
C30 | C29 | H27 | 119.7° | 119.5° |
C29 | C30 | H28 | 119.7° | 119.5° |
C13 | C14 | C15 | 121.0° | 120.3° |
C14 | C13 | C18 | 118.1° | 119.5° |
C13 | C14 | H14 | 119.5° | 119.9° |
C14 | C15 | C16 | 120.8° | 120.7° |
C15 | C14 | H14 | 119.5° | 119.8° |
C14 | C15 | H15 | 119.6° | 119.7° |
C13 | C18 | N1 | 134.3° | 133.9° |
C13 | C18 | C17 | 120.3° | 119.8° |
C6 | C5 | C10 | 119.0° | 119.4° |
C5 | C6 | C7 | 120.6° | 119.6° |
C5 | C6 | H6 | 119.7° | 120.2° |
C5 | C10 | C11 | 119.1° | 119.4° |
C5 | C10 | C9 | 118.4° | 119.3° |
C11 | C10 | C9 | 122.5° | 121.3° |
C10 | C11 | H13 | 119.3° | 120.2° |
C15 | C16 | C17 | 118.8° | 120.1° |
C16 | C15 | H15 | 119.6° | 119.6° |
C15 | C16 | H16 | 120.6° | 119.9° |
C28 | C27 | C26 | 124.6° | 122.1° |
C28 | C27 | C32 | 117.8° | 119.7° |
C27 | C28 | H26 | 119.4° | 120.3° |
C30 | C31 | C32 | 120.8° | 119.5° |
C31 | C30 | H28 | 119.7° | 119.5° |
C30 | C31 | H29 | 119.7° | 120.2° |
N1 | C18 | C17 | 105.3° | 106.4° |
C18 | N1 | C19 | 125.5° | 126.4° |
C18 | N1 | C25 | 106.3° | 107.3° |
C18 | C17 | C16 | 120.8° | 119.6° |
C18 | C17 | N4 | 110.1° | 107.2° |
C24 | C21 | C22 | 108.8° | 113.6° |
C24 | C21 | C20 | 88.8° | 87.1° |
C21 | C24 | C19 | 85.3° | 87.1° |
C24 | C21 | H20 | 113.4° | 113.6° |
C21 | C24 | H24 | 115.1° | 113.6° |
C21 | C24 | H25 | 115.2° | 113.6° |
C22 | C21 | C20 | 115.2° | 113.6° |
C21 | C22 | N2 | 115.7° | 120.0° |
C21 | C22 | O | 121.3° | 120.0° |
C22 | C21 | H20 | 114.5° | 112.9° |
C21 | C20 | C19 | 85.1° | 87.1° |
C21 | C20 | H18 | 115.2° | 113.6° |
C21 | C20 | H19 | 115.2° | 113.7° |
C20 | C21 | H20 | 113.4° | 113.6° |
C23 | N2 | C22 | 121.8° | 120.0° |
C23 | N2 | H3 | 119.1° | 120.0° |
N2 | C23 | H21 | 109.5° | 109.4° |
N2 | C23 | H22 | 109.5° | 109.4° |
N2 | C23 | H23 | 109.5° | 109.4° |
N2 | C22 | O | 122.9° | 120.0° |
C22 | N2 | H3 | 119.1° | 120.0° |
C6 | C7 | C8 | 120.6° | 121.0° |
C6 | C7 | H1 | 119.7° | 119.5° |
C7 | C6 | H6 | 119.7° | 120.2° |
C24 | C19 | N1 | 136.5° | 113.6° |
C24 | C19 | C20 | 90.2° | 87.1° |
C24 | C19 | H17 | 96.5° | 113.7° |
C19 | C24 | H24 | 115.1° | 113.6° |
C19 | C24 | H25 | 115.1° | 113.6° |
C10 | C9 | C8 | 120.7° | 119.7° |
C10 | C9 | H4 | 119.7° | 120.1° |
N1 | C19 | C20 | 128.9° | 113.6° |
C19 | N1 | C25 | 127.9° | 126.4° |
N1 | C19 | H17 | 96.8° | 112.8° |
C20 | C19 | H17 | 96.5° | 113.7° |
C19 | C20 | H18 | 115.2° | 113.6° |
C19 | C20 | H19 | 115.2° | 113.6° |
C16 | C17 | N4 | 129.0° | 133.2° |
C17 | C16 | H16 | 120.6° | 120.0° |
N1 | C25 | N4 | 113.1° | 109.7° |
N1 | C25 | C26 | 125.1° | 125.1° |
C17 | N4 | C25 | 105.1° | 109.5° |
C26 | C27 | C32 | 117.6° | 118.2° |
C27 | C26 | C25 | 121.6° | 120.9° |
C27 | C26 | C34 | 118.4° | 118.3° |
C27 | C32 | C31 | 119.1° | 119.3° |
C27 | C32 | C33 | 117.7° | 118.8° |
C31 | C32 | C33 | 123.2° | 121.9° |
C32 | C31 | H29 | 119.6° | 120.3° |
N4 | C25 | C26 | 121.7° | 125.2° |
C25 | C26 | C34 | 119.9° | 120.9° |
C7 | C8 | C9 | 120.6° | 121.0° |
C8 | C7 | H1 | 119.7° | 119.5° |
C7 | C8 | H2 | 119.7° | 119.5° |
C9 | C8 | H2 | 119.7° | 119.5° |
C8 | C9 | H4 | 119.6° | 120.2° |
C26 | C34 | N3 | 124.5° | 121.5° |
C26 | C34 | H31 | 117.7° | 119.2° |
C32 | C33 | N3 | 124.4° | 120.4° |
C32 | C33 | H30 | 117.8° | 119.8° |
C34 | N3 | C33 | 117.4° | 123.0° |
N3 | C34 | H31 | 117.8° | 119.3° |
N3 | C33 | H30 | 117.8° | 119.8° |
H10 | C | H11 | 109.4° | 109.4° |
H10 | C | H12 | 109.4° | 109.5° |
H11 | C | H12 | 109.5° | 109.4° |
H18 | C20 | H19 | 109.5° | 112.8° |
H21 | C23 | H22 | 109.4° | 109.5° |
H21 | C23 | H23 | 109.4° | 109.5° |
H22 | C23 | H23 | 109.5° | 109.5° |
H24 | C24 | H25 | 109.5° | 112.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C1 | C2 | C3 | 85.6° | 79.9° |
C | C1 | C2 | N | 124.4° | 120.0° |
C | C1 | C2 | H5 | 117.3° | 120.1° |
C | C1 | N | H5 | 116.0° | 120.1° |
C | C1 | C2 | C11 | 92.9° | 99.6° |
C | C1 | N | C12 | 146.9° | 85.0° |
C | C1 | N | H9 | 33.1° | 94.9° |
C1 | C | H10 | H11 | 120.0° | 120.0° |
C1 | C | H10 | H12 | 120.0° | 120.0° |
C1 | C | H11 | H12 | 120.0° | 120.0° |
C4 | C3 | C2 | H8 | 180.0° | 179.9° |
C4 | C3 | C2 | C1 | 177.3° | 179.9° |
C3 | C4 | C5 | H7 | 180.0° | 179.9° |
C4 | C3 | C2 | C11 | 1.2° | 0.6° |
C3 | C4 | C5 | C6 | 179.5° | 179.9° |
C3 | C4 | C5 | C10 | 0.4° | 0.4° |
C3 | C2 | C1 | C11 | 178.4° | 179.5° |
C3 | C2 | C1 | N | 150.0° | 40.1° |
C2 | C3 | C4 | C5 | 0.7° | 0.1° |
C3 | C2 | C11 | C10 | 0.5° | 0.5° |
C3 | C2 | C1 | H5 | 31.7° | 160.0° |
C2 | C3 | C4 | H7 | 179.3° | 180.0° |
C3 | C2 | C11 | H13 | 179.4° | 179.5° |
C2 | C1 | N | H5 | 117.9° | 120.0° |
C2 | C1 | N | C12 | 87.1° | 155.0° |
C1 | C2 | C11 | C10 | 177.9° | 180.0° |
C1 | C2 | C3 | H8 | 2.7° | 0.0° |
C2 | C1 | N | H9 | 93.0° | 25.0° |
C2 | C1 | C | H10 | 180.0° | 60.0° |
C2 | C1 | C | H11 | 60.0° | 60.1° |
C2 | C1 | C | H12 | 60.0° | 180.0° |
C1 | C2 | C11 | H13 | 2.1° | 0.0° |
C1 | N | C12 | O1 | 1.5° | 0.0° |
N | C1 | C2 | C11 | 31.6° | 140.4° |
C1 | N | C12 | H9 | 180.0° | 180.0° |
C1 | N | C12 | C13 | 177.6° | 180.0° |
N | C1 | C | H10 | 53.9° | 60.0° |
N | C1 | C | H11 | 66.1° | 180.0° |
N | C1 | C | H12 | 173.9° | 60.0° |
O1 | C12 | N | C13 | 179.1° | 180.0° |
O1 | C12 | C13 | C14 | 132.6° | 171.9° |
O1 | C12 | C13 | C18 | 38.3° | 8.1° |
O1 | C12 | N | H9 | 178.6° | 179.9° |
C4 | C5 | C6 | C10 | 179.1° | 179.5° |
C4 | C5 | C10 | C11 | 0.9° | 0.4° |
C4 | C5 | C6 | C7 | 178.8° | 180.0° |
C4 | C5 | C10 | C9 | 178.9° | 179.8° |
C4 | C5 | C6 | H6 | 1.2° | 0.5° |
C5 | C4 | C3 | H8 | 179.3° | 180.0° |
C2 | C11 | C10 | C5 | 0.5° | 0.0° |
C2 | C11 | C10 | H13 | 180.0° | 180.0° |
C2 | C11 | C10 | C9 | 179.3° | 179.3° |
C11 | C2 | C1 | H5 | 149.8° | 20.5° |
C11 | C2 | C3 | H8 | 178.8° | 179.5° |
N | C12 | C13 | C14 | 46.5° | 8.1° |
N | C12 | C13 | C18 | 142.6° | 172.0° |
C12 | N | C1 | H5 | 30.9° | 35.0° |
C12 | C13 | C14 | C18 | 171.3° | 179.9° |
C12 | C13 | C14 | C15 | 168.0° | 180.0° |
C12 | C13 | C18 | N1 | 16.1° | 0.1° |
C12 | C13 | C18 | C17 | 166.1° | 180.0° |
C13 | C12 | N | H9 | 2.3° | 0.0° |
C12 | C13 | C14 | H14 | 12.0° | 0.1° |
C28 | C29 | C30 | H27 | 180.0° | 180.0° |
C29 | C28 | C27 | H26 | 180.0° | 180.0° |
C28 | C29 | C30 | C31 | 0.3° | 0.0° |
C29 | C28 | C27 | C26 | 179.3° | 179.9° |
C29 | C28 | C27 | C32 | 0.1° | 0.0° |
C28 | C29 | C30 | H28 | 179.7° | 179.9° |
C30 | C29 | C28 | C27 | 0.1° | 0.0° |
C29 | C30 | C31 | H28 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 0.1° | 0.0° |
C30 | C29 | C28 | H26 | 179.9° | 179.9° |
C29 | C30 | C31 | H29 | 179.9° | 180.0° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 0.1° | 0.1° |
C14 | C13 | C18 | N1 | 172.9° | 180.0° |
C14 | C13 | C18 | C17 | 4.9° | 0.0° |
C13 | C14 | C15 | H15 | 179.9° | 180.0° |
C15 | C14 | C13 | C18 | 3.2° | 0.1° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 1.7° | 0.0° |
C14 | C15 | C16 | H16 | 178.3° | 180.0° |
C13 | C18 | N1 | C17 | 178.1° | 180.0° |
C13 | C18 | N1 | C19 | 6.1° | 0.2° |
C13 | C18 | C17 | C16 | 3.4° | 0.0° |
C13 | C18 | N1 | C25 | 179.8° | 180.0° |
C13 | C18 | C17 | N4 | 179.1° | 180.0° |
C18 | C13 | C14 | H14 | 176.8° | 180.0° |
C6 | C5 | C10 | C11 | 179.9° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.5° |
C6 | C5 | C10 | C9 | 0.2° | 0.7° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C5 | C6 | C7 | H1 | 180.0° | 179.7° |
C6 | C5 | C4 | H7 | 0.5° | 0.0° |
C5 | C10 | C11 | C9 | 179.8° | 179.3° |
C10 | C5 | C6 | C7 | 0.3° | 0.5° |
C5 | C10 | C9 | C8 | 0.0° | 0.4° |
C5 | C10 | C9 | H4 | 180.0° | 179.5° |
C10 | C5 | C6 | H6 | 179.7° | 179.9° |
C10 | C5 | C4 | H7 | 179.6° | 179.5° |
C5 | C10 | C11 | H13 | 179.5° | 180.0° |
C11 | C10 | C9 | C8 | 179.8° | 179.8° |
C11 | C10 | C9 | H4 | 0.2° | 0.2° |
C15 | C16 | C17 | C18 | 0.0° | 0.0° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | N4 | 177.0° | 180.0° |
C16 | C15 | C14 | H14 | 179.9° | 180.0° |
C28 | C27 | C26 | C32 | 179.2° | 179.9° |
C28 | C27 | C32 | C31 | 0.3° | 0.1° |
C28 | C27 | C26 | C25 | 1.5° | 0.0° |
C28 | C27 | C26 | C34 | 179.4° | 180.0° |
C28 | C27 | C32 | C33 | 179.5° | 180.0° |
C27 | C28 | C29 | H27 | 179.9° | 180.0° |
C30 | C31 | C32 | C27 | 0.1° | 0.1° |
C30 | C31 | C32 | H29 | 180.0° | 180.0° |
C30 | C31 | C32 | C33 | 179.6° | 180.0° |
C31 | C30 | C29 | H27 | 179.8° | 180.0° |
C18 | N1 | C19 | C24 | 150.7° | 168.5° |
C18 | N1 | C19 | C25 | 172.8° | 179.7° |
C18 | N1 | C19 | C20 | 60.3° | 71.0° |
N1 | C18 | C17 | C16 | 175.0° | 180.0° |
N1 | C18 | C17 | N4 | 2.5° | 0.0° |
C18 | N1 | C25 | N4 | 1.1° | 0.0° |
C18 | N1 | C25 | C26 | 179.4° | 180.0° |
C18 | N1 | C19 | H17 | 43.7° | 60.2° |
C17 | C18 | N1 | C19 | 172.0° | 179.7° |
C18 | C17 | C16 | N4 | 177.0° | 180.0° |
C17 | C18 | N1 | C25 | 2.1° | 0.0° |
C18 | C17 | N4 | C25 | 1.8° | 0.0° |
C18 | C17 | C16 | H16 | 180.0° | 180.0° |
C24 | C21 | C22 | C20 | 97.8° | 97.5° |
C24 | C21 | C22 | H20 | 128.0° | 131.2° |
C24 | C21 | C20 | H20 | 115.0° | 114.6° |
C24 | C21 | C22 | N2 | 129.6° | 176.9° |
C21 | C24 | C19 | H24 | 115.6° | 114.6° |
C21 | C24 | C19 | H25 | 115.6° | 114.6° |
C21 | C24 | C19 | N1 | 179.1° | 140.0° |
C24 | C21 | C20 | C19 | 24.2° | 25.4° |
C24 | C21 | C22 | O | 47.1° | 3.1° |
C21 | C24 | C19 | H17 | 72.0° | 89.2° |
C24 | C21 | C20 | H18 | 91.4° | 140.0° |
C24 | C21 | C20 | H19 | 139.7° | 89.1° |
C21 | C24 | H24 | H25 | 131.6° | 131.2° |
C22 | C21 | C20 | H20 | 134.7° | 130.9° |
C21 | C22 | N2 | C23 | 175.6° | 180.0° |
C21 | C22 | N2 | O | 176.6° | 180.0° |
C22 | C21 | C24 | C19 | 140.5° | 140.0° |
C22 | C21 | C20 | C19 | 134.4° | 140.0° |
C21 | C22 | N2 | H3 | 4.4° | 0.0° |
C22 | C21 | C20 | H18 | 18.9° | 105.4° |
C22 | C21 | C20 | H19 | 110.1° | 25.4° |
C22 | C21 | C24 | H24 | 103.9° | 25.4° |
C22 | C21 | C24 | H25 | 24.9° | 105.5° |
C20 | C21 | C22 | N2 | 132.6° | 79.4° |
C21 | C20 | C19 | N1 | 176.2° | 140.0° |
C21 | C20 | C19 | H18 | 115.6° | 114.5° |
C21 | C20 | C19 | H19 | 115.5° | 114.6° |
C20 | C21 | C22 | O | 50.7° | 100.6° |
C21 | C20 | C19 | H17 | 72.1° | 89.2° |
C21 | C20 | H18 | H19 | 131.7° | 131.3° |
C20 | C21 | C24 | H24 | 139.8° | 89.2° |
C20 | C21 | C24 | H25 | 91.4° | 140.0° |
C23 | N2 | C22 | H3 | 180.0° | 180.0° |
C23 | N2 | C22 | O | 1.1° | 0.0° |
N2 | C23 | H21 | H22 | 120.0° | 120.0° |
N2 | C23 | H21 | H23 | 120.0° | 119.9° |
N2 | C23 | H22 | H23 | 120.0° | 120.0° |
N2 | C22 | C21 | H20 | 1.6° | 51.9° |
C22 | N2 | C23 | H21 | 180.0° | 180.0° |
C22 | N2 | C23 | H22 | 60.0° | 60.0° |
C22 | N2 | C23 | H23 | 60.0° | 60.0° |
C6 | C7 | C8 | H1 | 180.0° | 179.6° |
C6 | C7 | C8 | C9 | 0.2° | 0.3° |
C6 | C7 | C8 | H2 | 179.8° | 179.8° |
C24 | C19 | N1 | C20 | 149.0° | 97.5° |
C24 | C19 | N1 | H17 | 107.0° | 131.3° |
C24 | C19 | C20 | H17 | 96.6° | 114.6° |
C24 | C19 | N1 | C25 | 36.5° | 11.2° |
C24 | C19 | C20 | H18 | 91.0° | 140.0° |
C24 | C19 | C20 | H19 | 140.1° | 89.2° |
C19 | C24 | C21 | H20 | 90.8° | 89.2° |
C19 | C24 | H24 | H25 | 131.6° | 131.2° |
C10 | C9 | C8 | C7 | 0.2° | 0.1° |
C10 | C9 | C8 | H4 | 180.0° | 180.0° |
C10 | C9 | C8 | H2 | 179.8° | 180.0° |
C9 | C10 | C11 | H13 | 0.6° | 0.7° |
N1 | C19 | C20 | H17 | 104.2° | 130.8° |
C19 | N1 | C25 | N4 | 172.8° | 179.7° |
C19 | N1 | C25 | C26 | 5.5° | 0.3° |
N1 | C19 | C20 | H18 | 68.2° | 105.5° |
N1 | C19 | C20 | H19 | 60.7° | 25.3° |
N1 | C19 | C24 | H24 | 63.5° | 25.4° |
N1 | C19 | C24 | H25 | 65.3° | 105.5° |
C20 | C19 | N1 | C25 | 112.6° | 108.7° |
C19 | C20 | H18 | H19 | 131.7° | 131.2° |
C19 | C20 | C21 | H20 | 90.9° | 89.1° |
C20 | C19 | C24 | H24 | 140.1° | 89.2° |
C20 | C19 | C24 | H25 | 91.1° | 140.0° |
C16 | C17 | N4 | C25 | 175.4° | 180.0° |
C17 | C16 | C15 | H15 | 178.3° | 180.0° |
N1 | C25 | N4 | C17 | 0.4° | 0.0° |
N1 | C25 | C26 | C27 | 67.5° | 107.7° |
N1 | C25 | N4 | C26 | 178.4° | 180.0° |
N1 | C25 | C26 | C34 | 114.6° | 72.3° |
C25 | N1 | C19 | H17 | 143.4° | 120.1° |
C17 | N4 | C25 | C26 | 178.0° | 180.0° |
N4 | C17 | C16 | H16 | 3.0° | 0.0° |
O | C22 | N2 | H3 | 179.0° | 180.0° |
O | C22 | C21 | H20 | 175.1° | 128.2° |
C26 | C27 | C32 | C31 | 179.5° | 180.0° |
C27 | C26 | C25 | N4 | 114.3° | 72.3° |
C27 | C26 | C25 | C34 | 177.9° | 180.0° |
C26 | C27 | C32 | C33 | 0.3° | 0.1° |
C27 | C26 | C34 | N3 | 0.1° | 0.1° |
C26 | C27 | C28 | H26 | 0.7° | 0.1° |
C27 | C26 | C34 | H31 | 179.9° | 180.0° |
C27 | C32 | C31 | C33 | 179.8° | 179.9° |
C32 | C27 | C26 | C25 | 177.7° | 179.9° |
C32 | C27 | C26 | C34 | 0.2° | 0.1° |
C27 | C32 | C33 | N3 | 0.2° | 0.1° |
C32 | C27 | C28 | H26 | 179.9° | 180.0° |
C27 | C32 | C31 | H29 | 179.9° | 180.0° |
C27 | C32 | C33 | H30 | 179.8° | 180.0° |
C31 | C32 | C33 | N3 | 179.6° | 180.0° |
C32 | C31 | C30 | H28 | 179.9° | 180.0° |
C31 | C32 | C33 | H30 | 0.4° | 0.1° |
N4 | C25 | C26 | C34 | 63.6° | 107.7° |
C25 | C26 | C34 | N3 | 177.9° | 179.9° |
C25 | C26 | C34 | H31 | 2.1° | 0.0° |
C7 | C8 | C9 | H2 | 180.0° | 179.9° |
C7 | C8 | C9 | H4 | 179.7° | 180.0° |
C8 | C7 | C6 | H6 | 180.0° | 179.4° |
C9 | C8 | C7 | H1 | 179.8° | 179.9° |
C26 | C34 | N3 | H31 | 180.0° | 179.9° |
C26 | C34 | N3 | C33 | 0.0° | 0.2° |
C32 | C33 | N3 | C34 | 0.1° | 0.2° |
C32 | C33 | N3 | H30 | 180.0° | 179.9° |
C33 | C32 | C31 | H29 | 0.4° | 0.1° |
C34 | N3 | C33 | H30 | 179.9° | 180.0° |
C33 | N3 | C34 | H31 | 180.0° | 179.9° |
H1 | C7 | C8 | H2 | 0.2° | 0.1° |
H1 | C7 | C6 | H6 | 0.0° | 0.2° |
H2 | C8 | C9 | H4 | 0.2° | 0.0° |
H3 | N2 | C23 | H21 | 0.0° | 0.0° |
H3 | N2 | C23 | H22 | 120.0° | 120.0° |
H3 | N2 | C23 | H23 | 120.0° | 120.0° |
H5 | C1 | N | H9 | 149.1° | 145.0° |
H5 | C1 | C | H10 | 62.6° | 180.0° |
H5 | C1 | C | H11 | 177.4° | 60.0° |
H5 | C1 | C | H12 | 57.4° | 60.0° |
H7 | C4 | C3 | H8 | 0.7° | 0.1° |
H10 | C | H11 | H12 | 119.9° | 119.9° |
H14 | C14 | C15 | H15 | 0.1° | 0.0° |
H15 | C15 | C16 | H16 | 1.7° | 0.0° |
H17 | C19 | C20 | H18 | 172.4° | 25.3° |
H17 | C19 | C20 | H19 | 43.5° | 156.2° |
H17 | C19 | C24 | H24 | 43.6° | 156.2° |
H17 | C19 | C24 | H25 | 172.4° | 25.4° |
H18 | C20 | C21 | H20 | 153.6° | 25.5° |
H19 | C20 | C21 | H20 | 24.7° | 156.3° |
H20 | C21 | C24 | H24 | 24.8° | 156.3° |
H20 | C21 | C24 | H25 | 153.6° | 25.4° |
H21 | C23 | H22 | H23 | 120.0° | 120.1° |
H26 | C28 | C29 | H27 | 0.1° | 0.0° |
H27 | C29 | C30 | H28 | 0.2° | 0.0° |
H28 | C30 | C31 | H29 | 0.1° | 0.0° |