EBY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C5 | sing | 1.37Å | 1.40Å | Aromatic |
N | C4 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | C6 | doub | 1.34Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.53Å | 1.54Å | |
C11 | C10 | sing | 1.53Å | 1.54Å | |
O | C9 | doub | 1.21Å | 1.24Å | |
C12 | N3 | sing | 1.47Å | 1.51Å | |
C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C24 | sing | 1.41Å | 1.43Å | Aromatic |
C6 | C7 | sing | 1.51Å | 1.48Å | |
C6 | C24 | sing | 1.47Å | 1.46Å | Aromatic |
C10 | N2 | sing | 1.47Å | 1.47Å | |
C10 | C23 | sing | 1.53Å | 1.54Å | |
C9 | N2 | sing | 1.35Å | 1.40Å | |
C9 | C8 | sing | 1.51Å | 1.55Å | |
C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.53Å | 1.55Å | |
N3 | C13 | sing | 1.47Å | 1.51Å | |
N3 | C22 | sing | 1.47Å | 1.51Å | |
C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
C13 | C14 | sing | 1.51Å | 1.49Å | |
C8 | N1 | sing | 1.47Å | 1.47Å | |
C23 | C22 | sing | 1.53Å | 1.54Å | |
C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C15 | C14 | doub | 1.34Å | 1.39Å | Aromatic |
C15 | N4 | sing | 1.37Å | 1.41Å | Aromatic |
C14 | C21 | sing | 1.47Å | 1.43Å | Aromatic |
C25 | C1 | sing | 1.37Å | 1.40Å | Aromatic |
C1 | C | sing | 1.51Å | 1.50Å | |
N4 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
C20 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
C19 | CL | sing | 1.74Å | 1.73Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.08Å | 1.08Å | |
C17 | H13 | sing | 1.08Å | 1.08Å | |
C20 | H14 | sing | 1.08Å | 1.08Å | |
C22 | H15 | sing | 1.09Å | 1.10Å | |
C22 | H16 | sing | 1.09Å | 1.10Å | |
N | H17 | sing | 0.97Å | 1.00Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C | H19 | sing | 1.09Å | 1.10Å | |
C | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C12 | H23 | sing | 1.09Å | 1.10Å | |
C12 | H24 | sing | 1.09Å | 1.10Å | |
C18 | H25 | sing | 1.08Å | 1.08Å | |
C2 | H26 | sing | 1.08Å | 1.08Å | |
C23 | H27 | sing | 1.09Å | 1.10Å | |
C23 | H28 | sing | 1.09Å | 1.10Å | |
C25 | H29 | sing | 1.08Å | 1.08Å | |
C3 | H30 | sing | 1.08Å | 1.08Å | |
N2 | H31 | sing | 0.97Å | 1.00Å | |
N4 | H32 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | N | C4 | 108.5° | 109.9° |
N | C5 | C6 | 109.3° | 109.9° |
N | C5 | H5 | 125.3° | 125.0° |
C5 | N | H17 | 125.7° | 125.1° |
N | C4 | C3 | 130.3° | 133.5° |
N | C4 | C24 | 108.1° | 107.1° |
C4 | N | H17 | 125.8° | 125.1° |
C5 | C6 | C7 | 128.3° | 126.5° |
C5 | C6 | C24 | 107.5° | 107.0° |
C6 | C5 | H5 | 125.3° | 125.0° |
C12 | C11 | C10 | 110.0° | 109.3° |
C11 | C12 | N3 | 110.5° | 109.5° |
C12 | C11 | H21 | 109.3° | 109.5° |
C12 | C11 | H22 | 109.3° | 109.5° |
C11 | C12 | H23 | 109.2° | 109.4° |
C11 | C12 | H24 | 109.2° | 109.4° |
C11 | C10 | N2 | 110.3° | 109.5° |
C11 | C10 | C23 | 107.0° | 109.2° |
C11 | C10 | H9 | 109.3° | 109.6° |
C10 | C11 | H21 | 109.3° | 109.5° |
C10 | C11 | H22 | 109.4° | 109.5° |
O | C9 | N2 | 122.2° | 120.0° |
O | C9 | C8 | 122.8° | 120.0° |
C12 | N3 | C13 | 108.8° | 111.0° |
C12 | N3 | C22 | 112.8° | 111.2° |
N3 | C12 | H23 | 109.2° | 109.5° |
N3 | C12 | H24 | 109.2° | 109.5° |
C3 | C4 | C24 | 121.6° | 119.3° |
C4 | C3 | C2 | 117.9° | 119.8° |
C4 | C3 | H30 | 121.1° | 120.1° |
C4 | C24 | C6 | 106.5° | 106.0° |
C4 | C24 | C25 | 119.3° | 120.0° |
C7 | C6 | C24 | 124.1° | 126.5° |
C6 | C7 | C8 | 114.8° | 109.4° |
C6 | C7 | H6 | 108.1° | 109.5° |
C6 | C7 | H7 | 108.1° | 109.5° |
C6 | C24 | C25 | 134.1° | 134.0° |
N2 | C10 | C23 | 110.6° | 109.5° |
C10 | N2 | C9 | 123.1° | 120.0° |
N2 | C10 | H9 | 110.2° | 109.5° |
C10 | N2 | H31 | 118.4° | 120.0° |
C10 | C23 | C22 | 110.8° | 109.3° |
C23 | C10 | H9 | 109.3° | 109.5° |
C10 | C23 | H27 | 109.1° | 109.5° |
C10 | C23 | H28 | 109.1° | 109.5° |
N2 | C9 | C8 | 115.0° | 120.0° |
C9 | N2 | H31 | 118.4° | 120.0° |
C9 | C8 | C7 | 109.6° | 109.5° |
C9 | C8 | N1 | 111.1° | 109.5° |
C9 | C8 | H8 | 108.1° | 109.5° |
C3 | C2 | C1 | 121.8° | 120.6° |
C3 | C2 | H26 | 119.1° | 119.7° |
C2 | C3 | H30 | 121.0° | 120.1° |
C7 | C8 | N1 | 110.8° | 109.4° |
C8 | C7 | H6 | 108.1° | 109.4° |
C8 | C7 | H7 | 108.1° | 109.5° |
C7 | C8 | H8 | 108.1° | 109.5° |
C13 | N3 | C22 | 110.4° | 111.0° |
N3 | C13 | C14 | 112.9° | 109.5° |
N3 | C13 | H10 | 108.6° | 109.5° |
N3 | C13 | H11 | 108.6° | 109.4° |
N3 | C22 | C23 | 111.0° | 109.6° |
N3 | C22 | H15 | 109.1° | 109.4° |
N3 | C22 | H16 | 109.1° | 109.5° |
C24 | C25 | C1 | 118.8° | 119.7° |
C24 | C25 | H29 | 120.6° | 120.2° |
C13 | C14 | C15 | 127.7° | 126.5° |
C13 | C14 | C21 | 125.0° | 126.5° |
C14 | C13 | H10 | 108.6° | 109.5° |
C14 | C13 | H11 | 108.6° | 109.5° |
C8 | N1 | H1 | 109.5° | 111.0° |
C8 | N1 | H2 | 109.4° | 111.0° |
N1 | C8 | H8 | 109.2° | 109.5° |
C23 | C22 | H15 | 109.1° | 109.5° |
C23 | C22 | H16 | 109.1° | 109.5° |
C22 | C23 | H27 | 109.1° | 109.5° |
C22 | C23 | H28 | 109.1° | 109.5° |
C2 | C1 | C25 | 120.5° | 120.6° |
C2 | C1 | C | 118.9° | 119.7° |
C1 | C2 | H26 | 119.1° | 119.7° |
C14 | C15 | N4 | 109.4° | 109.9° |
C15 | C14 | C21 | 107.3° | 107.0° |
C14 | C15 | H12 | 125.3° | 125.0° |
C15 | N4 | C16 | 108.3° | 109.9° |
N4 | C15 | H12 | 125.3° | 125.1° |
C15 | N4 | H32 | 125.8° | 125.1° |
C14 | C21 | C16 | 107.4° | 106.0° |
C14 | C21 | C20 | 133.1° | 134.0° |
C25 | C1 | C | 120.5° | 119.8° |
C1 | C25 | H29 | 120.6° | 120.1° |
C1 | C | H18 | 109.5° | 109.5° |
C1 | C | H19 | 109.5° | 109.5° |
C1 | C | H20 | 109.5° | 109.5° |
N4 | C16 | C21 | 107.6° | 107.2° |
N4 | C16 | C17 | 130.1° | 133.5° |
C16 | N4 | H32 | 125.8° | 125.1° |
C16 | C21 | C20 | 119.5° | 120.0° |
C21 | C16 | C17 | 122.3° | 119.4° |
C21 | C20 | C19 | 116.9° | 119.7° |
C21 | C20 | H14 | 121.5° | 120.2° |
C16 | C17 | C18 | 117.7° | 119.8° |
C16 | C17 | H13 | 121.1° | 120.1° |
C20 | C19 | C18 | 124.7° | 120.6° |
C20 | C19 | CL | 117.5° | 119.7° |
C19 | C20 | H14 | 121.5° | 120.1° |
C17 | C18 | C19 | 118.8° | 120.6° |
C18 | C17 | H13 | 121.1° | 120.1° |
C17 | C18 | H25 | 120.6° | 119.6° |
C18 | C19 | CL | 117.7° | 119.7° |
C19 | C18 | H25 | 120.6° | 119.7° |
H1 | N1 | H2 | 109.5° | 111.0° |
H6 | C7 | H7 | 109.5° | 109.5° |
H10 | C13 | H11 | 109.5° | 109.5° |
H15 | C22 | H16 | 109.5° | 109.4° |
H18 | C | H19 | 109.5° | 109.4° |
H18 | C | H20 | 109.5° | 109.5° |
H19 | C | H20 | 109.4° | 109.5° |
H21 | C11 | H22 | 109.5° | 109.5° |
H23 | C12 | H24 | 109.4° | 109.5° |
H27 | C23 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | N | C4 | H17 | 180.0° | 179.8° |
N | C5 | C6 | H5 | 180.0° | 179.8° |
C5 | N | C4 | C3 | 179.5° | 180.0° |
C5 | N | C4 | C24 | 0.1° | 0.3° |
N | C5 | C6 | C7 | 177.7° | 180.0° |
N | C5 | C6 | C24 | 0.4° | 0.1° |
C4 | N | C5 | C6 | 0.2° | 0.3° |
N | C4 | C3 | C24 | 179.6° | 179.7° |
N | C4 | C24 | C6 | 0.4° | 0.2° |
N | C4 | C3 | C2 | 180.0° | 179.7° |
N | C4 | C24 | C25 | 179.8° | 179.8° |
C4 | N | C5 | H5 | 179.8° | 179.9° |
N | C4 | C3 | H30 | 0.0° | 0.3° |
C5 | C6 | C24 | C4 | 0.5° | 0.1° |
C5 | C6 | C7 | C24 | 177.8° | 179.9° |
C5 | C6 | C7 | C8 | 105.4° | 95.1° |
C5 | C6 | C24 | C25 | 179.7° | 179.9° |
C5 | C6 | C7 | H6 | 15.4° | 24.9° |
C5 | C6 | C7 | H7 | 133.8° | 144.9° |
C6 | C5 | N | H17 | 179.9° | 179.9° |
C12 | C11 | C10 | H21 | 120.1° | 120.0° |
C12 | C11 | C10 | H22 | 120.1° | 119.9° |
C11 | C12 | N3 | H23 | 120.2° | 120.0° |
C11 | C12 | N3 | H24 | 120.2° | 120.0° |
C12 | C11 | C10 | N2 | 58.3° | 62.3° |
C12 | C11 | C10 | C23 | 62.1° | 57.6° |
C11 | C12 | N3 | C13 | 176.7° | 174.1° |
C11 | C12 | N3 | C22 | 53.9° | 61.7° |
C12 | C11 | C10 | H9 | 179.6° | 177.6° |
C12 | C11 | H21 | H22 | 119.7° | 120.1° |
C11 | C12 | H23 | H24 | 119.5° | 119.9° |
C10 | C11 | C12 | N3 | 59.1° | 59.1° |
C11 | C10 | N2 | C23 | 118.2° | 119.6° |
C11 | C10 | N2 | H9 | 120.8° | 120.2° |
C11 | C10 | C23 | H9 | 118.3° | 120.0° |
C11 | C10 | N2 | C9 | 70.0° | 85.4° |
C11 | C10 | C23 | C22 | 60.9° | 57.6° |
C10 | C11 | H21 | H22 | 119.8° | 120.1° |
C10 | C11 | C12 | H23 | 61.1° | 179.2° |
C10 | C11 | C12 | H24 | 179.3° | 60.9° |
C11 | C10 | C23 | H27 | 59.3° | 62.3° |
C11 | C10 | C23 | H28 | 178.9° | 177.6° |
C11 | C10 | N2 | H31 | 109.9° | 94.7° |
O | C9 | N2 | C10 | 1.1° | 0.1° |
O | C9 | N2 | C8 | 179.4° | 179.9° |
O | C9 | C8 | C7 | 65.6° | 99.9° |
O | C9 | C8 | N1 | 57.2° | 20.0° |
O | C9 | C8 | H8 | 176.9° | 140.1° |
O | C9 | N2 | H31 | 178.9° | 180.0° |
C12 | N3 | C13 | C22 | 124.3° | 124.3° |
C12 | N3 | C13 | C14 | 176.7° | 65.8° |
C12 | N3 | C22 | C23 | 52.5° | 61.7° |
C12 | N3 | C13 | H10 | 62.8° | 174.2° |
C12 | N3 | C13 | H11 | 56.1° | 54.2° |
C12 | N3 | C22 | H15 | 67.7° | 58.3° |
C12 | N3 | C22 | H16 | 172.8° | 178.2° |
N3 | C12 | C11 | H21 | 61.0° | 179.1° |
N3 | C12 | C11 | H22 | 179.2° | 60.8° |
N3 | C12 | H23 | H24 | 119.5° | 120.0° |
C3 | C4 | C24 | C6 | 179.3° | 180.0° |
C4 | C3 | C2 | H30 | 180.0° | 180.0° |
C3 | C4 | C24 | C25 | 0.6° | 0.0° |
C4 | C3 | C2 | C1 | 0.0° | 0.1° |
C3 | C4 | N | H17 | 0.6° | 0.2° |
C4 | C3 | C2 | H26 | 180.0° | 180.0° |
C4 | C24 | C6 | C7 | 177.7° | 179.8° |
C4 | C24 | C6 | C25 | 179.8° | 180.0° |
C24 | C4 | C3 | C2 | 0.5° | 0.0° |
C4 | C24 | C25 | C1 | 0.2° | 0.0° |
C24 | C4 | N | H17 | 179.8° | 179.9° |
C4 | C24 | C25 | H29 | 179.8° | 180.0° |
C24 | C4 | C3 | H30 | 179.5° | 180.0° |
C6 | C7 | C8 | C9 | 46.6° | 175.0° |
C6 | C7 | C8 | H6 | 120.8° | 120.0° |
C6 | C7 | C8 | H7 | 120.8° | 120.1° |
C7 | C6 | C24 | C25 | 2.1° | 0.2° |
C6 | C7 | C8 | N1 | 169.5° | 65.0° |
C7 | C6 | C5 | H5 | 2.4° | 0.2° |
C6 | C7 | H6 | H7 | 117.6° | 120.1° |
C6 | C7 | C8 | H8 | 70.9° | 55.0° |
C24 | C6 | C7 | C8 | 76.9° | 85.1° |
C6 | C24 | C25 | C1 | 179.6° | 180.0° |
C24 | C6 | C5 | H5 | 179.6° | 179.9° |
C24 | C6 | C7 | H6 | 162.4° | 155.0° |
C24 | C6 | C7 | H7 | 43.9° | 35.0° |
C6 | C24 | C25 | H29 | 0.4° | 0.0° |
N2 | C10 | C23 | H9 | 121.5° | 120.1° |
C10 | N2 | C9 | H31 | 180.0° | 179.9° |
C10 | N2 | C9 | C8 | 179.5° | 180.0° |
N2 | C10 | C23 | C22 | 59.3° | 62.2° |
N2 | C10 | C11 | H21 | 178.3° | 57.7° |
N2 | C10 | C11 | H22 | 61.8° | 177.8° |
N2 | C10 | C23 | H27 | 179.5° | 177.8° |
N2 | C10 | C23 | H28 | 60.9° | 57.8° |
C23 | C10 | N2 | C9 | 171.7° | 155.0° |
C10 | C23 | C22 | N3 | 56.5° | 59.1° |
C10 | C23 | C22 | H27 | 120.2° | 120.0° |
C10 | C23 | C22 | H28 | 120.2° | 119.9° |
C10 | C23 | C22 | H15 | 63.7° | 60.8° |
C10 | C23 | C22 | H16 | 176.7° | 179.2° |
C23 | C10 | C11 | H21 | 57.9° | 177.6° |
C23 | C10 | C11 | H22 | 177.8° | 62.3° |
C10 | C23 | H27 | H28 | 119.4° | 120.0° |
C23 | C10 | N2 | H31 | 8.3° | 24.9° |
N2 | C9 | C8 | C7 | 115.0° | 80.0° |
N2 | C9 | C8 | N1 | 122.3° | 160.1° |
N2 | C9 | C8 | H8 | 2.6° | 40.1° |
C9 | N2 | C10 | H9 | 50.8° | 34.8° |
C9 | C8 | C7 | N1 | 122.9° | 120.0° |
C9 | C8 | C7 | H8 | 117.5° | 120.0° |
C9 | C8 | N1 | H8 | 119.1° | 120.0° |
C9 | C8 | N1 | H1 | 180.0° | 60.0° |
C9 | C8 | N1 | H2 | 60.0° | 176.0° |
C9 | C8 | C7 | H6 | 74.1° | 55.0° |
C9 | C8 | C7 | H7 | 167.4° | 65.0° |
C8 | C9 | N2 | H31 | 0.5° | 0.1° |
C3 | C2 | C1 | H26 | 180.0° | 179.9° |
C3 | C2 | C1 | C25 | 0.4° | 0.2° |
C3 | C2 | C1 | C | 179.1° | 180.0° |
C7 | C8 | N1 | H8 | 118.9° | 120.0° |
C7 | C8 | N1 | H1 | 58.0° | 60.0° |
C7 | C8 | N1 | H2 | 178.0° | 64.0° |
C8 | C7 | H6 | H7 | 117.6° | 120.0° |
N3 | C13 | C14 | H10 | 120.5° | 120.0° |
N3 | C13 | C14 | H11 | 120.5° | 120.0° |
C13 | N3 | C22 | C23 | 174.5° | 174.2° |
N3 | C13 | C14 | C15 | 81.7° | 99.9° |
N3 | C13 | C14 | C21 | 101.5° | 80.0° |
N3 | C13 | H10 | H11 | 118.4° | 120.0° |
C13 | N3 | C22 | H15 | 54.3° | 65.8° |
C13 | N3 | C22 | H16 | 65.3° | 54.1° |
C13 | N3 | C12 | H23 | 56.5° | 54.1° |
C13 | N3 | C12 | H24 | 63.1° | 65.9° |
C22 | N3 | C13 | C14 | 59.0° | 170.0° |
N3 | C22 | C23 | H15 | 120.2° | 120.0° |
N3 | C22 | C23 | H16 | 120.2° | 120.1° |
C22 | N3 | C13 | H10 | 61.5° | 50.0° |
C22 | N3 | C13 | H11 | 179.5° | 70.0° |
N3 | C22 | H15 | H16 | 119.3° | 120.0° |
C22 | N3 | C12 | H23 | 66.3° | 178.3° |
C22 | N3 | C12 | H24 | 174.0° | 58.3° |
N3 | C22 | C23 | H27 | 63.7° | 60.8° |
N3 | C22 | C23 | H28 | 176.7° | 179.1° |
C24 | C25 | C1 | C2 | 0.3° | 0.1° |
C24 | C25 | C1 | H29 | 180.0° | 180.0° |
C24 | C25 | C1 | C | 179.2° | 180.0° |
C13 | C14 | C15 | C21 | 177.3° | 179.9° |
C13 | C14 | C15 | N4 | 176.6° | 180.0° |
C13 | C14 | C21 | C16 | 176.6° | 179.9° |
C13 | C14 | C21 | C20 | 3.1° | 0.1° |
C14 | C13 | H10 | H11 | 118.5° | 120.0° |
C13 | C14 | C15 | H12 | 3.3° | 0.4° |
C8 | N1 | H1 | H2 | 120.0° | 124.0° |
N1 | C8 | C7 | H6 | 48.8° | 175.0° |
N1 | C8 | C7 | H7 | 69.7° | 55.0° |
C22 | C23 | C10 | H9 | 179.3° | 177.7° |
C23 | C22 | H15 | H16 | 119.3° | 120.0° |
C22 | C23 | H27 | H28 | 119.4° | 120.1° |
C2 | C1 | C25 | C | 179.5° | 179.9° |
C2 | C1 | C | H18 | 89.7° | 90.0° |
C2 | C1 | C | H19 | 150.2° | 150.1° |
C2 | C1 | C | H20 | 30.3° | 30.1° |
C2 | C1 | C25 | H29 | 179.7° | 179.9° |
C1 | C2 | C3 | H30 | 180.0° | 179.9° |
C14 | C15 | N4 | H12 | 180.0° | 179.6° |
C14 | C15 | N4 | C16 | 0.3° | 0.1° |
C15 | C14 | C21 | C16 | 0.7° | 0.0° |
C15 | C14 | C21 | C20 | 179.5° | 180.0° |
C15 | C14 | C13 | H10 | 157.8° | 140.1° |
C15 | C14 | C13 | H11 | 38.8° | 20.1° |
C14 | C15 | N4 | H32 | 179.7° | 180.0° |
N4 | C15 | C14 | C21 | 0.6° | 0.1° |
C15 | N4 | C16 | H32 | 180.0° | 180.0° |
C15 | N4 | C16 | C21 | 0.2° | 0.0° |
C15 | N4 | C16 | C17 | 179.4° | 180.0° |
C14 | C21 | C16 | N4 | 0.6° | 0.0° |
C14 | C21 | C16 | C20 | 179.8° | 180.0° |
C14 | C21 | C16 | C17 | 179.1° | 180.0° |
C14 | C21 | C20 | C19 | 179.5° | 180.0° |
C21 | C14 | C13 | H10 | 19.0° | 40.0° |
C21 | C14 | C13 | H11 | 138.0° | 160.1° |
C21 | C14 | C15 | H12 | 179.4° | 179.7° |
C14 | C21 | C20 | H14 | 0.5° | 0.0° |
C25 | C1 | C | H18 | 89.8° | 89.9° |
C25 | C1 | C | H19 | 30.3° | 30.0° |
C25 | C1 | C | H20 | 150.2° | 150.1° |
C25 | C1 | C2 | H26 | 179.7° | 179.9° |
C1 | C | H18 | H19 | 120.0° | 120.0° |
C1 | C | H18 | H20 | 120.0° | 120.1° |
C1 | C | H19 | H20 | 120.0° | 120.1° |
C | C1 | C2 | H26 | 0.9° | 0.1° |
C | C1 | C25 | H29 | 0.8° | 0.0° |
N4 | C16 | C21 | C17 | 179.7° | 180.0° |
N4 | C16 | C21 | C20 | 179.7° | 180.0° |
N4 | C16 | C17 | C18 | 179.9° | 180.0° |
C16 | N4 | C15 | H12 | 179.7° | 179.7° |
N4 | C16 | C17 | H13 | 0.1° | 0.0° |
C16 | C21 | C20 | C19 | 0.2° | 0.0° |
C21 | C16 | C17 | C18 | 0.3° | 0.0° |
C21 | C16 | C17 | H13 | 179.7° | 180.0° |
C16 | C21 | C20 | H14 | 179.8° | 180.0° |
C21 | C16 | N4 | H32 | 179.8° | 180.0° |
C20 | C21 | C16 | C17 | 0.7° | 0.0° |
C21 | C20 | C19 | H14 | 180.0° | 180.0° |
C21 | C20 | C19 | C18 | 0.6° | 0.1° |
C21 | C20 | C19 | CL | 177.8° | 179.9° |
C16 | C17 | C18 | H13 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.5° | 0.1° |
C16 | C17 | C18 | H25 | 179.5° | 180.0° |
C17 | C16 | N4 | H32 | 0.6° | 0.0° |
C20 | C19 | C18 | C17 | 1.0° | 0.1° |
C20 | C19 | C18 | CL | 178.5° | 180.0° |
C20 | C19 | C18 | H25 | 179.0° | 180.0° |
C17 | C18 | C19 | H25 | 180.0° | 179.9° |
C17 | C18 | C19 | CL | 177.4° | 179.9° |
C19 | C18 | C17 | H13 | 179.5° | 179.9° |
C18 | C19 | C20 | H14 | 179.4° | 180.0° |
CL | C19 | C20 | H14 | 2.2° | 0.0° |
CL | C19 | C18 | H25 | 2.6° | 0.0° |
H1 | N1 | C8 | H8 | 60.9° | 180.0° |
H2 | N1 | C8 | H8 | 59.1° | 56.0° |
H5 | C5 | N | H17 | 0.2° | 0.1° |
H6 | C7 | C8 | H8 | 168.4° | 65.0° |
H7 | C7 | C8 | H8 | 49.9° | 175.0° |
H9 | C10 | C11 | H21 | 60.4° | 62.4° |
H9 | C10 | C11 | H22 | 59.5° | 57.7° |
H9 | C10 | C23 | H27 | 59.1° | 57.7° |
H9 | C10 | C23 | H28 | 60.5° | 62.4° |
H9 | C10 | N2 | H31 | 129.2° | 145.0° |
H12 | C15 | N4 | H32 | 0.3° | 0.3° |
H13 | C17 | C18 | H25 | 0.5° | 0.0° |
H15 | C22 | C23 | H27 | 176.0° | 179.2° |
H15 | C22 | C23 | H28 | 56.5° | 59.1° |
H16 | C22 | C23 | H27 | 56.5° | 59.3° |
H16 | C22 | C23 | H28 | 63.1° | 60.8° |
H18 | C | H19 | H20 | 120.0° | 119.9° |
H21 | C11 | C12 | H23 | 178.9° | 60.8° |
H21 | C11 | C12 | H24 | 59.2° | 59.1° |
H22 | C11 | C12 | H23 | 59.1° | 59.3° |
H22 | C11 | C12 | H24 | 60.6° | 179.2° |
H26 | C2 | C3 | H30 | 0.0° | 0.0° |