I6L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C25 | sing | 1.53Å | 1.51Å | |
C24 | C23 | sing | 1.53Å | 1.52Å | |
C23 | C22 | sing | 1.53Å | 1.52Å | |
O26 | C12 | doub | 1.22Å | 1.22Å | |
N9 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
C10 | C22 | sing | 1.53Å | 1.53Å | |
C10 | C8 | sing | 1.51Å | 1.48Å | |
C10 | N11 | sing | 1.47Å | 1.46Å | |
C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
C29 | C19 | sing | 1.53Å | 1.52Å | |
C12 | N11 | sing | 1.35Å | 1.34Å | |
C12 | C13 | sing | 1.47Å | 1.49Å | |
C8 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
N17 | C13 | sing | 1.38Å | 1.47Å | Aromatic |
N17 | C16 | sing | 1.33Å | 1.46Å | Aromatic |
C13 | C14 | doub | 1.37Å | 1.50Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C18 | C16 | sing | 1.51Å | 1.50Å | |
C18 | C19 | sing | 1.53Å | 1.54Å | |
C16 | C15 | doub | 1.39Å | 1.47Å | Aromatic |
C19 | C30 | sing | 1.53Å | 1.52Å | |
C19 | C20 | sing | 1.53Å | 1.54Å | |
C6 | N7 | sing | 1.38Å | 1.34Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.49Å | Aromatic |
C14 | C27 | sing | 1.51Å | 1.51Å | |
C15 | C21 | sing | 1.47Å | 1.49Å | |
C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.52Å | 1.52Å | |
C21 | O28 | doub | 1.21Å | 1.22Å | |
C24 | H1 | sing | 1.09Å | 1.10Å | |
C24 | H2 | sing | 1.09Å | 1.10Å | |
C27 | H3 | sing | 1.09Å | 1.10Å | |
C27 | H4 | sing | 1.09Å | 1.10Å | |
C27 | H5 | sing | 1.09Å | 1.10Å | |
C29 | H6 | sing | 1.09Å | 1.10Å | |
C29 | H7 | sing | 1.09Å | 1.10Å | |
C29 | H8 | sing | 1.09Å | 1.10Å | |
C30 | H9 | sing | 1.09Å | 1.10Å | |
C30 | H10 | sing | 1.09Å | 1.10Å | |
C30 | H11 | sing | 1.09Å | 1.10Å | |
C20 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C22 | H15 | sing | 1.09Å | 1.10Å | |
C18 | H16 | sing | 1.09Å | 1.10Å | |
C18 | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å | |
N7 | H19 | sing | 0.97Å | 1.00Å | |
C3 | H20 | sing | 1.08Å | 1.08Å | |
C4 | H21 | sing | 1.08Å | 1.08Å | |
C1 | H22 | sing | 1.08Å | 1.08Å | |
C2 | H23 | sing | 1.08Å | 1.08Å | |
C23 | H24 | sing | 1.09Å | 1.10Å | |
C23 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C25 | H27 | sing | 1.09Å | 1.10Å | |
C25 | H28 | sing | 1.09Å | 1.10Å | |
N11 | H29 | sing | 0.97Å | 1.00Å | |
N17 | H30 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C25 | C24 | C23 | 111.0° | 109.4° |
C25 | C24 | H1 | 109.1° | 109.5° |
C25 | C24 | H2 | 109.1° | 109.5° |
C24 | C25 | H26 | 109.5° | 109.4° |
C24 | C25 | H27 | 109.5° | 109.4° |
C24 | C25 | H28 | 109.5° | 109.5° |
C24 | C23 | C22 | 112.0° | 109.5° |
C23 | C24 | H1 | 109.1° | 109.4° |
C23 | C24 | H2 | 109.1° | 109.5° |
C24 | C23 | H24 | 108.8° | 109.5° |
C24 | C23 | H25 | 108.8° | 109.4° |
C23 | C22 | C10 | 111.0° | 109.5° |
C23 | C22 | H14 | 109.1° | 109.5° |
C23 | C22 | H15 | 109.1° | 109.4° |
C22 | C23 | H24 | 108.8° | 109.5° |
C22 | C23 | H25 | 108.8° | 109.5° |
O26 | C12 | N11 | 122.2° | 120.0° |
O26 | C12 | C13 | 117.7° | 120.0° |
C5 | N9 | C8 | 108.1° | 109.7° |
N9 | C5 | C4 | 134.5° | 133.6° |
N9 | C5 | C6 | 106.2° | 107.0° |
N9 | C8 | C10 | 124.2° | 125.0° |
N9 | C8 | N7 | 110.6° | 110.1° |
C5 | C4 | C3 | 119.6° | 119.9° |
C4 | C5 | C6 | 119.3° | 119.4° |
C5 | C4 | H21 | 120.2° | 120.0° |
C4 | C3 | C2 | 121.0° | 120.7° |
C4 | C3 | H20 | 119.5° | 119.7° |
C3 | C4 | H21 | 120.2° | 120.1° |
C22 | C10 | C8 | 110.8° | 109.5° |
C22 | C10 | N11 | 111.3° | 109.5° |
C10 | C22 | H14 | 109.1° | 109.5° |
C10 | C22 | H15 | 109.1° | 109.5° |
C22 | C10 | H18 | 106.9° | 109.5° |
C8 | C10 | N11 | 112.5° | 109.5° |
C10 | C8 | N7 | 125.1° | 124.9° |
C8 | C10 | H18 | 107.4° | 109.5° |
C10 | N11 | C12 | 123.0° | 120.0° |
N11 | C10 | H18 | 107.7° | 109.5° |
C10 | N11 | H29 | 118.5° | 120.0° |
C5 | C6 | N7 | 106.4° | 106.0° |
C5 | C6 | C1 | 119.4° | 119.8° |
C29 | C19 | C18 | 109.3° | 109.3° |
C29 | C19 | C30 | 107.7° | 109.2° |
C29 | C19 | C20 | 110.5° | 109.2° |
C19 | C29 | H6 | 109.5° | 109.4° |
C19 | C29 | H7 | 109.5° | 109.5° |
C19 | C29 | H8 | 109.5° | 109.5° |
N11 | C12 | C13 | 120.0° | 120.0° |
C12 | N11 | H29 | 118.5° | 120.0° |
C12 | C13 | N17 | 117.2° | 125.8° |
C12 | C13 | C14 | 129.0° | 125.7° |
C8 | N7 | C6 | 108.7° | 107.3° |
C8 | N7 | H19 | 125.7° | 126.4° |
C13 | N17 | C16 | 103.5° | 109.3° |
N17 | C13 | C14 | 113.8° | 108.5° |
C13 | N17 | H30 | 128.2° | 125.3° |
N17 | C16 | C18 | 121.5° | 129.2° |
N17 | C16 | C15 | 111.0° | 107.9° |
C16 | N17 | H30 | 128.2° | 125.4° |
C13 | C14 | C15 | 102.3° | 106.6° |
C13 | C14 | C27 | 129.5° | 126.7° |
C3 | C2 | C1 | 121.4° | 120.4° |
C2 | C3 | H20 | 119.5° | 119.6° |
C3 | C2 | H23 | 119.3° | 119.8° |
C16 | C18 | C19 | 106.9° | 109.3° |
C18 | C16 | C15 | 127.5° | 122.9° |
C16 | C18 | H16 | 110.1° | 109.5° |
C16 | C18 | H17 | 110.1° | 109.6° |
C18 | C19 | C30 | 106.6° | 109.2° |
C18 | C19 | C20 | 113.1° | 110.7° |
C19 | C18 | H16 | 110.1° | 109.5° |
C19 | C18 | H17 | 110.1° | 109.5° |
C16 | C15 | C14 | 109.4° | 107.7° |
C16 | C15 | C21 | 118.4° | 121.6° |
C30 | C19 | C20 | 109.4° | 109.2° |
C19 | C30 | H9 | 109.5° | 109.4° |
C19 | C30 | H10 | 109.5° | 109.5° |
C19 | C30 | H11 | 109.4° | 109.5° |
C19 | C20 | C21 | 115.9° | 108.4° |
C19 | C20 | H12 | 107.8° | 109.6° |
C19 | C20 | H13 | 107.8° | 109.7° |
N7 | C6 | C1 | 134.2° | 134.1° |
C6 | N7 | H19 | 125.6° | 126.3° |
C6 | C1 | C2 | 119.3° | 119.7° |
C6 | C1 | H22 | 120.3° | 120.2° |
C15 | C14 | C27 | 128.3° | 126.7° |
C14 | C15 | C21 | 132.2° | 130.7° |
C14 | C27 | H3 | 109.5° | 109.5° |
C14 | C27 | H4 | 109.4° | 109.5° |
C14 | C27 | H5 | 109.5° | 109.5° |
C15 | C21 | C20 | 115.3° | 115.1° |
C15 | C21 | O28 | 122.8° | 122.4° |
C2 | C1 | H22 | 120.4° | 120.1° |
C1 | C2 | H23 | 119.3° | 119.8° |
C20 | C21 | O28 | 121.8° | 122.5° |
C21 | C20 | H12 | 107.9° | 109.7° |
C21 | C20 | H13 | 107.8° | 109.7° |
H1 | C24 | H2 | 109.5° | 109.5° |
H3 | C27 | H4 | 109.5° | 109.4° |
H3 | C27 | H5 | 109.5° | 109.5° |
H4 | C27 | H5 | 109.5° | 109.4° |
H6 | C29 | H7 | 109.5° | 109.5° |
H6 | C29 | H8 | 109.5° | 109.4° |
H7 | C29 | H8 | 109.5° | 109.5° |
H9 | C30 | H10 | 109.5° | 109.5° |
H9 | C30 | H11 | 109.5° | 109.5° |
H10 | C30 | H11 | 109.5° | 109.5° |
H12 | C20 | H13 | 109.5° | 109.7° |
H14 | C22 | H15 | 109.5° | 109.4° |
H16 | C18 | H17 | 109.5° | 109.5° |
H24 | C23 | H25 | 109.5° | 109.5° |
H26 | C25 | H27 | 109.4° | 109.5° |
H26 | C25 | H28 | 109.5° | 109.5° |
H27 | C25 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C25 | C24 | C23 | H1 | 120.2° | 120.0° |
C25 | C24 | C23 | H2 | 120.2° | 120.0° |
C25 | C24 | C23 | C22 | 63.6° | 180.0° |
C25 | C24 | H1 | H2 | 119.3° | 120.1° |
C25 | C24 | C23 | H24 | 56.7° | 60.0° |
C25 | C24 | C23 | H25 | 175.9° | 60.0° |
C24 | C25 | H26 | H27 | 120.0° | 119.9° |
C24 | C25 | H26 | H28 | 120.0° | 120.0° |
C24 | C25 | H27 | H28 | 120.0° | 120.1° |
C24 | C23 | C22 | H24 | 120.4° | 120.0° |
C24 | C23 | C22 | H25 | 120.4° | 119.9° |
C24 | C23 | C22 | C10 | 70.0° | 180.0° |
C23 | C24 | H1 | H2 | 119.3° | 120.0° |
C24 | C23 | C22 | H14 | 50.2° | 60.0° |
C24 | C23 | C22 | H15 | 169.7° | 60.0° |
C24 | C23 | H24 | H25 | 118.8° | 120.0° |
C23 | C24 | C25 | H26 | 180.0° | 60.0° |
C23 | C24 | C25 | H27 | 60.0° | 180.0° |
C23 | C24 | C25 | H28 | 60.0° | 60.0° |
C23 | C22 | C10 | H14 | 120.2° | 120.0° |
C23 | C22 | C10 | H15 | 120.2° | 120.0° |
C23 | C22 | C10 | C8 | 151.1° | 175.0° |
C23 | C22 | C10 | N11 | 83.0° | 65.0° |
C22 | C23 | C24 | H1 | 176.1° | 60.0° |
C22 | C23 | C24 | H2 | 56.6° | 60.0° |
C23 | C22 | H14 | H15 | 119.3° | 119.9° |
C23 | C22 | C10 | H18 | 34.3° | 55.0° |
C22 | C23 | H24 | H25 | 118.8° | 120.1° |
O26 | C12 | N11 | C10 | 0.4° | 0.0° |
O26 | C12 | N11 | C13 | 179.2° | 180.0° |
O26 | C12 | C13 | N17 | 0.9° | 180.0° |
O26 | C12 | C13 | C14 | 180.0° | 0.0° |
O26 | C12 | N11 | H29 | 179.6° | 180.0° |
N9 | C5 | C4 | C6 | 179.8° | 179.8° |
N9 | C5 | C4 | C3 | 179.8° | 179.7° |
C5 | N9 | C8 | C10 | 179.9° | 179.8° |
C5 | N9 | C8 | N7 | 0.3° | 0.4° |
N9 | C5 | C6 | N7 | 0.0° | 0.2° |
N9 | C5 | C6 | C1 | 179.7° | 180.0° |
N9 | C5 | C4 | H21 | 0.2° | 0.3° |
C8 | N9 | C5 | C4 | 179.7° | 179.9° |
N9 | C8 | C10 | C22 | 95.1° | 55.3° |
N9 | C8 | C10 | N7 | 179.8° | 179.8° |
N9 | C8 | C10 | N11 | 139.6° | 175.3° |
C8 | N9 | C5 | C6 | 0.2° | 0.4° |
N9 | C8 | N7 | C6 | 0.3° | 0.3° |
N9 | C8 | C10 | H18 | 21.4° | 64.7° |
N9 | C8 | N7 | H19 | 179.7° | 179.8° |
C5 | C4 | C3 | H21 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 0.4° | 0.5° |
C4 | C5 | C6 | N7 | 179.9° | 180.0° |
C4 | C5 | C6 | C1 | 0.1° | 0.2° |
C5 | C4 | C3 | H20 | 179.6° | 179.7° |
C3 | C4 | C5 | C6 | 0.4° | 0.0° |
C4 | C3 | C2 | H20 | 180.0° | 179.2° |
C4 | C3 | C2 | C1 | 0.0° | 0.8° |
C4 | C3 | C2 | H23 | 180.0° | 180.0° |
C22 | C10 | C8 | N11 | 125.3° | 120.0° |
C22 | C10 | C8 | H18 | 116.4° | 120.0° |
C22 | C10 | N11 | H18 | 116.9° | 120.0° |
C22 | C10 | N11 | C12 | 174.1° | 85.0° |
C22 | C10 | C8 | N7 | 84.7° | 125.0° |
C10 | C22 | H14 | H15 | 119.3° | 120.0° |
C10 | C22 | C23 | H24 | 169.6° | 60.0° |
C10 | C22 | C23 | H25 | 50.4° | 60.0° |
C22 | C10 | N11 | H29 | 5.9° | 95.0° |
C8 | C10 | N11 | H18 | 118.1° | 120.0° |
C8 | C10 | N11 | C12 | 60.9° | 154.9° |
C10 | C8 | N7 | C6 | 179.9° | 179.9° |
C8 | C10 | C22 | H14 | 30.8° | 65.0° |
C8 | C10 | C22 | H15 | 88.7° | 55.0° |
C10 | C8 | N7 | H19 | 0.1° | 0.0° |
C8 | C10 | N11 | H29 | 119.1° | 25.0° |
C10 | N11 | C12 | H29 | 180.0° | 180.0° |
C10 | N11 | C12 | C13 | 178.8° | 180.0° |
N11 | C10 | C8 | N7 | 40.6° | 5.0° |
N11 | C10 | C22 | H14 | 156.8° | 55.0° |
N11 | C10 | C22 | H15 | 37.2° | 175.0° |
C5 | C6 | N7 | C8 | 0.2° | 0.0° |
C5 | C6 | N7 | C1 | 179.7° | 179.8° |
C5 | C6 | C1 | C2 | 0.5° | 0.1° |
C5 | C6 | N7 | H19 | 179.8° | 180.0° |
C6 | C5 | C4 | H21 | 179.6° | 179.9° |
C5 | C6 | C1 | H22 | 179.5° | 179.9° |
C29 | C19 | C18 | C16 | 74.5° | 173.0° |
C29 | C19 | C18 | C30 | 116.1° | 119.4° |
C29 | C19 | C18 | C20 | 123.6° | 120.3° |
C29 | C19 | C30 | C20 | 120.1° | 119.4° |
C29 | C19 | C20 | C21 | 67.9° | 174.7° |
C19 | C29 | H6 | H7 | 120.0° | 120.0° |
C19 | C29 | H6 | H8 | 120.0° | 119.9° |
C19 | C29 | H7 | H8 | 120.0° | 120.0° |
C29 | C19 | C30 | H9 | 180.0° | 60.1° |
C29 | C19 | C30 | H10 | 60.0° | 180.0° |
C29 | C19 | C30 | H11 | 60.0° | 60.0° |
C29 | C19 | C20 | H12 | 53.1° | 55.0° |
C29 | C19 | C20 | H13 | 171.2° | 65.5° |
C29 | C19 | C18 | H16 | 45.1° | 53.1° |
C29 | C19 | C18 | H17 | 165.9° | 67.0° |
N11 | C12 | C13 | N17 | 178.3° | 0.1° |
N11 | C12 | C13 | C14 | 0.7° | 180.0° |
C12 | N11 | C10 | H18 | 57.2° | 35.0° |
C12 | C13 | N17 | C14 | 179.2° | 180.0° |
C12 | C13 | N17 | C16 | 179.3° | 180.0° |
C12 | C13 | C14 | C15 | 179.2° | 179.9° |
C12 | C13 | C14 | C27 | 0.6° | 0.0° |
C13 | C12 | N11 | H29 | 1.2° | 0.0° |
C12 | C13 | N17 | H30 | 0.7° | 0.1° |
C8 | N7 | C6 | H19 | 180.0° | 179.9° |
C8 | N7 | C6 | C1 | 179.5° | 179.7° |
N7 | C8 | C10 | H18 | 158.8° | 115.0° |
C13 | N17 | C16 | H30 | 180.0° | 179.8° |
C13 | N17 | C16 | C18 | 180.0° | 179.8° |
C13 | N17 | C16 | C15 | 0.1° | 0.0° |
N17 | C13 | C14 | C15 | 0.1° | 0.0° |
N17 | C13 | C14 | C27 | 179.7° | 180.0° |
C16 | N17 | C13 | C14 | 0.1° | 0.0° |
N17 | C16 | C18 | C15 | 179.9° | 179.8° |
N17 | C16 | C18 | C19 | 155.8° | 159.5° |
N17 | C16 | C15 | C14 | 0.0° | 0.1° |
N17 | C16 | C15 | C21 | 180.0° | 179.7° |
N17 | C16 | C18 | H16 | 36.2° | 80.6° |
N17 | C16 | C18 | H17 | 84.6° | 39.5° |
C13 | C14 | C15 | C16 | 0.1° | 0.1° |
C13 | C14 | C15 | C27 | 179.8° | 180.0° |
C13 | C14 | C15 | C21 | 179.9° | 179.7° |
C13 | C14 | C27 | H3 | 89.9° | 90.0° |
C13 | C14 | C27 | H4 | 150.1° | 150.0° |
C13 | C14 | C27 | H5 | 30.1° | 30.1° |
C14 | C13 | N17 | H30 | 179.9° | 179.9° |
C3 | C2 | C1 | C6 | 0.5° | 0.6° |
C3 | C2 | C1 | H23 | 180.0° | 179.2° |
C2 | C3 | C4 | H21 | 179.5° | 179.5° |
C3 | C2 | C1 | H22 | 179.6° | 179.5° |
C16 | C18 | C19 | H16 | 119.6° | 119.9° |
C16 | C18 | C19 | H17 | 119.6° | 120.0° |
C16 | C18 | C19 | C30 | 169.4° | 67.6° |
C16 | C18 | C19 | C20 | 49.1° | 52.7° |
C18 | C16 | C15 | C14 | 179.9° | 179.8° |
C18 | C16 | C15 | C21 | 0.1° | 0.5° |
C16 | C18 | H16 | H17 | 121.1° | 120.1° |
C18 | C16 | N17 | H30 | 0.0° | 0.4° |
C19 | C18 | C16 | C15 | 24.1° | 20.3° |
C18 | C19 | C30 | C20 | 122.7° | 121.1° |
C18 | C19 | C20 | C21 | 55.0° | 65.0° |
C18 | C19 | C29 | H6 | 180.0° | 59.9° |
C18 | C19 | C29 | H7 | 60.0° | 180.0° |
C18 | C19 | C29 | H8 | 60.0° | 60.0° |
C18 | C19 | C30 | H9 | 62.8° | 59.4° |
C18 | C19 | C30 | H10 | 177.2° | 60.5° |
C18 | C19 | C30 | H11 | 57.2° | 179.4° |
C18 | C19 | C20 | H12 | 176.0° | 175.3° |
C18 | C19 | C20 | H13 | 65.9° | 54.8° |
C19 | C18 | H16 | H17 | 121.2° | 120.1° |
C16 | C15 | C14 | C21 | 180.0° | 179.7° |
C16 | C15 | C14 | C27 | 179.8° | 180.0° |
C16 | C15 | C21 | C20 | 1.1° | 11.3° |
C16 | C15 | C21 | O28 | 179.9° | 168.7° |
C15 | C16 | C18 | H16 | 143.7° | 99.6° |
C15 | C16 | C18 | H17 | 95.5° | 140.3° |
C15 | C16 | N17 | H30 | 179.9° | 179.8° |
C30 | C19 | C20 | C21 | 173.7° | 55.3° |
C30 | C19 | C29 | H6 | 64.6° | 59.4° |
C30 | C19 | C29 | H7 | 175.4° | 60.6° |
C30 | C19 | C29 | H8 | 55.4° | 179.4° |
C19 | C30 | H9 | H10 | 120.0° | 119.9° |
C19 | C30 | H9 | H11 | 120.0° | 120.0° |
C19 | C30 | H10 | H11 | 120.0° | 120.0° |
C30 | C19 | C20 | H12 | 65.3° | 64.4° |
C30 | C19 | C20 | H13 | 52.8° | 175.1° |
C30 | C19 | C18 | H16 | 71.0° | 172.5° |
C30 | C19 | C18 | H17 | 49.8° | 52.4° |
C19 | C20 | C21 | C15 | 28.1° | 42.7° |
C19 | C20 | C21 | H12 | 120.9° | 119.7° |
C19 | C20 | C21 | H13 | 120.9° | 119.7° |
C19 | C20 | C21 | O28 | 153.1° | 137.3° |
C20 | C19 | C29 | H6 | 54.9° | 178.9° |
C20 | C19 | C29 | H7 | 65.1° | 58.8° |
C20 | C19 | C29 | H8 | 174.9° | 61.2° |
C20 | C19 | C30 | H9 | 59.9° | 179.5° |
C20 | C19 | C30 | H10 | 60.1° | 60.6° |
C20 | C19 | C30 | H11 | 179.9° | 59.4° |
C19 | C20 | H12 | H13 | 117.1° | 120.5° |
C20 | C19 | C18 | H16 | 168.7° | 67.2° |
C20 | C19 | C18 | H17 | 70.5° | 172.7° |
N7 | C6 | C1 | C2 | 179.8° | 179.7° |
N7 | C6 | C1 | H22 | 0.2° | 0.3° |
C6 | C1 | C2 | H22 | 180.0° | 180.0° |
C1 | C6 | N7 | H19 | 0.5° | 0.2° |
C6 | C1 | C2 | H23 | 179.5° | 179.8° |
C14 | C15 | C21 | C20 | 178.9° | 168.4° |
C14 | C15 | C21 | O28 | 0.1° | 11.6° |
C15 | C14 | C27 | H3 | 89.9° | 89.9° |
C15 | C14 | C27 | H4 | 30.1° | 30.0° |
C15 | C14 | C27 | H5 | 150.1° | 150.0° |
C27 | C14 | C15 | C21 | 0.3° | 0.3° |
C14 | C27 | H3 | H4 | 120.0° | 120.0° |
C14 | C27 | H3 | H5 | 120.0° | 120.1° |
C14 | C27 | H4 | H5 | 120.0° | 120.0° |
C15 | C21 | C20 | O28 | 178.8° | 180.0° |
C15 | C21 | C20 | H12 | 149.0° | 162.4° |
C15 | C21 | C20 | H13 | 92.9° | 77.0° |
C1 | C2 | C3 | H20 | 180.0° | 180.0° |
C21 | C20 | H12 | H13 | 117.1° | 120.6° |
O28 | C21 | C20 | H12 | 32.2° | 17.6° |
O28 | C21 | C20 | H13 | 86.0° | 103.0° |
H1 | C24 | C23 | H24 | 63.5° | 60.0° |
H1 | C24 | C23 | H25 | 55.7° | 180.0° |
H1 | C24 | C25 | H26 | 59.7° | 59.9° |
H1 | C24 | C25 | H27 | 60.2° | 60.0° |
H1 | C24 | C25 | H28 | 179.7° | 179.9° |
H2 | C24 | C23 | H24 | 177.0° | 180.0° |
H2 | C24 | C23 | H25 | 63.8° | 60.0° |
H2 | C24 | C25 | H26 | 59.8° | 180.0° |
H2 | C24 | C25 | H27 | 179.8° | 60.1° |
H2 | C24 | C25 | H28 | 60.2° | 60.0° |
H3 | C27 | H4 | H5 | 120.0° | 120.0° |
H6 | C29 | H7 | H8 | 120.0° | 120.0° |
H9 | C30 | H10 | H11 | 120.0° | 120.1° |
H14 | C22 | C10 | H18 | 85.9° | 175.0° |
H14 | C22 | C23 | H24 | 70.2° | 60.0° |
H14 | C22 | C23 | H25 | 170.6° | 179.9° |
H15 | C22 | C10 | H18 | 154.6° | 65.0° |
H15 | C22 | C23 | H24 | 49.4° | 179.9° |
H15 | C22 | C23 | H25 | 69.8° | 60.0° |
H18 | C10 | N11 | H29 | 122.8° | 145.0° |
H20 | C3 | C4 | H21 | 0.4° | 0.2° |
H20 | C3 | C2 | H23 | 0.0° | 0.8° |
H22 | C1 | C2 | H23 | 0.4° | 0.2° |
H26 | C25 | H27 | H28 | 120.0° | 120.0° |