BTF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 0.00Å | 1.49Å | Aromatic |
C1 | C5 | sing | 0.00Å | 1.44Å | Aromatic |
C2 | C3 | sing | 0.00Å | 1.54Å | Aromatic |
C3 | N1 | doub | 0.00Å | 1.43Å | Aromatic |
N1 | C4 | sing | 0.00Å | 1.48Å | Aromatic |
N1 | FE1 | sing | 0.00Å | 2.11Å | |
C4 | C5 | doub | 0.00Å | 1.50Å | Aromatic |
C4 | C9 | sing | 0.00Å | 1.52Å | |
C6 | C7 | doub | 0.00Å | 1.52Å | Aromatic |
C6 | C10 | sing | 0.00Å | 1.47Å | Aromatic |
C7 | C8 | sing | 0.00Å | 1.48Å | Aromatic |
C7 | C15 | sing | 0.00Å | 1.55Å | |
C8 | C9 | doub | 0.00Å | 1.48Å | Aromatic |
C9 | N2 | sing | 0.00Å | 1.47Å | Aromatic |
N2 | C10 | doub | 0.00Å | 1.49Å | Aromatic |
N2 | FE1 | sing | 0.00Å | 2.15Å | |
FE1 | C11 | sing | 0.00Å | 2.09Å | |
FE1 | C12 | sing | 0.00Å | 2.09Å | |
FE1 | C13 | sing | 0.00Å | 2.08Å | |
FE1 | C14 | sing | 0.00Å | 2.11Å | |
N3 | C11 | trip | 0.00Å | 1.35Å | |
N4 | C12 | trip | 0.00Å | 1.39Å | |
N5 | C13 | trip | 0.00Å | 1.37Å | |
N6 | C14 | trip | 0.00Å | 1.38Å | |
C15 | N7 | sing | 0.00Å | 1.38Å | |
C16 | C17 | sing | 0.00Å | 1.50Å | |
C16 | C19 | sing | 0.00Å | 1.85Å | |
C17 | C18 | sing | 0.00Å | 1.53Å | |
C18 | N7 | sing | 0.00Å | 1.34Å | |
C18 | O1 | doub | 0.00Å | 1.32Å | |
C19 | C20 | sing | 0.00Å | 1.67Å | |
C20 | C21 | sing | 0.00Å | 1.58Å | |
C21 | C23 | sing | 0.00Å | 1.56Å | |
C21 | S1 | sing | 0.00Å | 1.83Å | |
C22 | C24 | sing | 0.00Å | 1.50Å | |
C22 | S1 | sing | 0.00Å | 1.83Å | |
C23 | C24 | sing | 0.00Å | 1.50Å | |
C23 | N9 | sing | 0.00Å | 1.50Å | |
C24 | N8 | sing | 0.00Å | 1.48Å | |
C25 | O2 | doub | 0.00Å | 1.25Å | |
C25 | N8 | sing | 0.00Å | 1.34Å | |
C25 | N9 | sing | 0.00Å | 1.36Å | |
C1 | C26 | sing | 0.00Å | 1.54Å | |
C2 | H2 | sing | 0.00Å | 1.08Å | |
C3 | H3 | sing | 0.00Å | 1.08Å | |
C5 | H4 | sing | 0.00Å | 1.08Å | |
C6 | H5 | sing | 0.00Å | 1.08Å | |
C8 | H6 | sing | 0.00Å | 1.08Å | |
C10 | H7 | sing | 0.00Å | 1.08Å | |
C15 | H24 | sing | 0.00Å | 1.10Å | |
C15 | H25 | sing | 0.00Å | 1.10Å | |
C16 | H26 | sing | 0.00Å | 1.10Å | |
C16 | H27 | sing | 0.00Å | 1.10Å | |
C17 | H28 | sing | 0.00Å | 1.10Å | |
C17 | H29 | sing | 0.00Å | 1.10Å | |
C19 | H30 | sing | 0.00Å | 1.10Å | |
C19 | H31 | sing | 0.00Å | 1.10Å | |
C20 | H32 | sing | 0.00Å | 1.10Å | |
C20 | H33 | sing | 0.00Å | 1.10Å | |
C21 | H34 | sing | 0.00Å | 1.10Å | |
C22 | H35 | sing | 0.00Å | 1.10Å | |
C22 | H36 | sing | 0.00Å | 1.10Å | |
C23 | H37 | sing | 0.00Å | 1.10Å | |
C24 | H38 | sing | 0.00Å | 1.10Å | |
N7 | H39 | sing | 0.00Å | 1.00Å | |
N8 | H40 | sing | 0.00Å | 1.00Å | |
N9 | H41 | sing | 0.00Å | 1.00Å | |
C26 | H251 | sing | 0.00Å | 1.10Å | |
C26 | H261 | sing | 0.00Å | 1.10Å | |
C26 | H271 | sing | 0.00Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C5 | 120.7° | 90.0° |
C1 | C2 | C3 | 119.3° | 90.0° |
C2 | C1 | C26 | 114.4° | 90.0° |
C1 | C2 | H2 | 120.4° | 90.0° |
C1 | C5 | C4 | 119.7° | 90.0° |
C5 | C1 | C26 | 124.6° | 90.0° |
C1 | C5 | H4 | 120.2° | 90.0° |
C2 | C3 | N1 | 118.7° | 90.0° |
C3 | C2 | H2 | 120.4° | 90.0° |
C2 | C3 | H3 | 120.7° | 90.0° |
C3 | N1 | C4 | 121.7° | 90.0° |
C3 | N1 | FE1 | 126.7° | 90.0° |
N1 | C3 | H3 | 120.7° | 90.0° |
C4 | N1 | FE1 | 111.6° | 90.0° |
N1 | C4 | C5 | 120.0° | 90.0° |
N1 | C4 | C9 | 116.6° | 90.0° |
N1 | FE1 | N2 | 84.3° | 90.0° |
N1 | FE1 | C11 | 176.1° | 90.0° |
N1 | FE1 | C12 | 99.9° | 90.0° |
N1 | FE1 | C13 | 99.2° | 90.0° |
N1 | FE1 | C14 | 87.6° | 90.0° |
C5 | C4 | C9 | 123.4° | 90.0° |
C4 | C5 | H4 | 120.1° | 90.0° |
C4 | C9 | C8 | 123.6° | 90.0° |
C4 | C9 | N2 | 117.1° | 90.0° |
C7 | C6 | C10 | 119.4° | 90.0° |
C6 | C7 | C8 | 120.3° | 90.0° |
C6 | C7 | C15 | 121.7° | 90.0° |
C7 | C6 | H5 | 120.3° | 90.0° |
C6 | C10 | N2 | 119.2° | 90.0° |
C10 | C6 | H5 | 120.3° | 90.0° |
C6 | C10 | H7 | 120.4° | 90.0° |
C8 | C7 | C15 | 118.0° | 90.0° |
C7 | C8 | C9 | 119.8° | 90.0° |
C7 | C8 | H6 | 120.1° | 90.0° |
C7 | C15 | N7 | 110.0° | 90.0° |
C7 | C15 | H24 | 109.4° | 90.0° |
C7 | C15 | H25 | 109.4° | 90.0° |
C8 | C9 | N2 | 119.3° | 90.0° |
C9 | C8 | H6 | 120.1° | 90.0° |
C9 | N2 | C10 | 122.0° | 90.0° |
C9 | N2 | FE1 | 110.4° | 90.0° |
C10 | N2 | FE1 | 127.6° | 90.0° |
N2 | C10 | H7 | 120.4° | 90.0° |
N2 | FE1 | C11 | 99.3° | 90.0° |
N2 | FE1 | C12 | 175.8° | 90.0° |
N2 | FE1 | C13 | 94.1° | 90.0° |
N2 | FE1 | C14 | 84.2° | 90.0° |
C11 | FE1 | C12 | 76.6° | 90.0° |
C11 | FE1 | C13 | 82.4° | 90.0° |
C11 | FE1 | C14 | 91.0° | 90.0° |
FE1 | C11 | N3 | 172.8° | 90.0° |
C12 | FE1 | C13 | 86.3° | 90.0° |
C12 | FE1 | C14 | 95.0° | 90.0° |
FE1 | C12 | N4 | 174.2° | 90.0° |
C13 | FE1 | C14 | 172.8° | 90.0° |
FE1 | C13 | N5 | 173.2° | 90.0° |
FE1 | C14 | N6 | 174.7° | 90.0° |
C15 | N7 | C18 | 118.6° | 90.0° |
N7 | C15 | H24 | 109.3° | 90.0° |
N7 | C15 | H25 | 109.3° | 90.0° |
C15 | N7 | H39 | 120.7° | 90.0° |
C17 | C16 | C19 | 96.0° | 90.0° |
C16 | C17 | C18 | 108.9° | 90.0° |
C17 | C16 | H26 | 112.7° | 90.0° |
C17 | C16 | H27 | 112.7° | 90.0° |
C16 | C17 | H28 | 109.6° | 90.0° |
C16 | C17 | H29 | 109.6° | 90.0° |
C16 | C19 | C20 | 125.9° | 90.0° |
C19 | C16 | H26 | 112.7° | 90.0° |
C19 | C16 | H27 | 112.7° | 90.0° |
C16 | C19 | H30 | 105.2° | 90.0° |
C16 | C19 | H31 | 105.2° | 90.0° |
C17 | C18 | N7 | 119.6° | 90.0° |
C17 | C18 | O1 | 121.3° | 90.0° |
C18 | C17 | H28 | 109.6° | 90.0° |
C18 | C17 | H29 | 109.6° | 90.0° |
N7 | C18 | O1 | 118.4° | 90.0° |
C18 | N7 | H39 | 120.7° | 90.0° |
C19 | C20 | C21 | 106.5° | 90.0° |
C20 | C19 | H30 | 105.2° | 90.0° |
C20 | C19 | H31 | 105.2° | 90.0° |
C19 | C20 | H32 | 110.2° | 90.0° |
C19 | C20 | H33 | 110.2° | 90.0° |
C20 | C21 | C23 | 108.6° | 90.0° |
C20 | C21 | S1 | 121.8° | 90.0° |
C21 | C20 | H32 | 110.2° | 90.0° |
C21 | C20 | H33 | 110.2° | 90.0° |
C20 | C21 | H34 | 109.9° | 90.0° |
C23 | C21 | S1 | 98.7° | 90.0° |
C21 | C23 | C24 | 114.8° | 90.0° |
C21 | C23 | N9 | 114.4° | 90.0° |
C23 | C21 | H34 | 110.1° | 90.0° |
C21 | C23 | H37 | 108.2° | 90.0° |
C21 | S1 | C22 | 88.8° | 90.0° |
S1 | C21 | H34 | 107.0° | 90.0° |
C24 | C22 | S1 | 105.6° | 90.0° |
C22 | C24 | C23 | 105.5° | 90.0° |
C22 | C24 | N8 | 116.6° | 90.0° |
C24 | C22 | H35 | 110.5° | 90.0° |
C24 | C22 | H36 | 110.4° | 90.0° |
C22 | C24 | H38 | 110.1° | 90.0° |
S1 | C22 | H35 | 110.4° | 90.0° |
S1 | C22 | H36 | 110.5° | 90.0° |
C24 | C23 | N9 | 101.5° | 90.0° |
C23 | C24 | N8 | 103.8° | 90.0° |
C24 | C23 | H37 | 108.8° | 90.0° |
C23 | C24 | H38 | 110.1° | 90.0° |
C23 | N9 | C25 | 114.2° | 90.0° |
N9 | C23 | H37 | 108.8° | 90.0° |
C23 | N9 | H41 | 122.9° | 90.0° |
C24 | N8 | C25 | 114.5° | 90.0° |
N8 | C24 | H38 | 110.4° | 90.0° |
C24 | N8 | H40 | 122.7° | 90.0° |
O2 | C25 | N8 | 128.2° | 90.0° |
O2 | C25 | N9 | 125.7° | 90.0° |
N8 | C25 | N9 | 106.1° | 90.0° |
C25 | N8 | H40 | 122.8° | 90.0° |
C25 | N9 | H41 | 122.9° | 90.0° |
C1 | C26 | H251 | 109.5° | 90.0° |
C1 | C26 | H261 | 109.5° | 90.0° |
C1 | C26 | H271 | 109.5° | 90.0° |
H24 | C15 | H25 | 109.4° | 90.0° |
H26 | C16 | H27 | 109.4° | 90.0° |
H28 | C17 | H29 | 109.5° | 90.0° |
H30 | C19 | H31 | 109.5° | 90.0° |
H32 | C20 | H33 | 109.5° | 90.0° |
H35 | C22 | H36 | 109.5° | 90.0° |
H251 | C26 | H261 | 109.4° | 90.0° |
H251 | C26 | H271 | 109.4° | 90.0° |
H261 | C26 | H271 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C5 | C26 | 174.5° | 90.0° |
C1 | C2 | C3 | H2 | 180.0° | 90.0° |
C1 | C2 | C3 | N1 | 0.1° | 90.0° |
C2 | C1 | C5 | C4 | 0.2° | 90.0° |
C1 | C2 | C3 | H3 | 179.9° | 90.0° |
C2 | C1 | C5 | H4 | 179.8° | 90.0° |
C2 | C1 | C26 | H251 | 180.0° | 90.0° |
C2 | C1 | C26 | H261 | 60.0° | 90.0° |
C2 | C1 | C26 | H271 | 60.0° | 90.0° |
C5 | C1 | C2 | C3 | 0.1° | 90.0° |
C1 | C5 | C4 | N1 | 0.4° | 90.0° |
C1 | C5 | C4 | H4 | 180.0° | 90.0° |
C1 | C5 | C4 | C9 | 179.5° | 90.0° |
C5 | C1 | C2 | H2 | 179.9° | 90.0° |
C5 | C1 | C26 | H251 | 5.2° | 90.0° |
C5 | C1 | C26 | H261 | 125.2° | 90.0° |
C5 | C1 | C26 | H271 | 114.8° | 90.0° |
C2 | C3 | N1 | H3 | 180.0° | 90.0° |
C2 | C3 | N1 | C4 | 0.1° | 90.0° |
C2 | C3 | N1 | FE1 | 179.6° | 90.0° |
C3 | C2 | C1 | C26 | 175.1° | 90.0° |
C3 | N1 | C4 | FE1 | 179.6° | 90.0° |
C3 | N1 | C4 | C5 | 0.4° | 90.0° |
C3 | N1 | C4 | C9 | 179.5° | 90.0° |
C3 | N1 | FE1 | N2 | 179.3° | 90.0° |
C3 | N1 | FE1 | C11 | 25.8° | 90.0° |
C3 | N1 | FE1 | C12 | 0.3° | 90.0° |
C3 | N1 | FE1 | C13 | 87.5° | 90.0° |
C3 | N1 | FE1 | C14 | 94.9° | 90.0° |
N1 | C3 | C2 | H2 | 179.9° | 90.0° |
N1 | C4 | C5 | C9 | 179.9° | 90.0° |
N1 | C4 | C9 | C8 | 179.7° | 90.0° |
N1 | C4 | C9 | N2 | 0.3° | 90.0° |
C4 | N1 | FE1 | N2 | 0.2° | 90.0° |
C4 | N1 | FE1 | C11 | 153.7° | 90.0° |
C4 | N1 | FE1 | C12 | 179.3° | 90.0° |
C4 | N1 | FE1 | C13 | 93.0° | 90.0° |
C4 | N1 | FE1 | C14 | 84.6° | 90.0° |
C4 | N1 | C3 | H3 | 179.9° | 90.0° |
N1 | C4 | C5 | H4 | 179.6° | 90.0° |
FE1 | N1 | C4 | C5 | 179.9° | 90.0° |
FE1 | N1 | C4 | C9 | 0.0° | 90.0° |
N1 | FE1 | N2 | C9 | 0.4° | 90.0° |
N1 | FE1 | N2 | C10 | 179.5° | 90.0° |
N1 | FE1 | N2 | C11 | 178.2° | 90.0° |
N1 | FE1 | N2 | C12 | 167.0° | 90.0° |
N1 | FE1 | N2 | C13 | 98.8° | 90.0° |
N1 | FE1 | N2 | C14 | 88.2° | 90.0° |
N1 | FE1 | C11 | C12 | 25.9° | 90.0° |
N1 | FE1 | C11 | C13 | 113.8° | 90.0° |
N1 | FE1 | C11 | C14 | 69.0° | 90.0° |
N1 | FE1 | C12 | C13 | 98.7° | 90.0° |
N1 | FE1 | C12 | C14 | 88.5° | 90.0° |
N1 | FE1 | C13 | C14 | 160.5° | 90.0° |
N1 | FE1 | C11 | N3 | 10.1° | 90.0° |
N1 | FE1 | C12 | N4 | 165.5° | 90.0° |
N1 | FE1 | C13 | N5 | 141.0° | 90.0° |
N1 | FE1 | C14 | N6 | 88.5° | 90.0° |
FE1 | N1 | C3 | H3 | 0.4° | 90.0° |
C5 | C4 | C9 | C8 | 0.2° | 90.0° |
C5 | C4 | C9 | N2 | 179.6° | 90.0° |
C4 | C5 | C1 | C26 | 174.3° | 90.0° |
C4 | C9 | C8 | C7 | 179.5° | 90.0° |
C4 | C9 | C8 | N2 | 179.4° | 90.0° |
C4 | C9 | N2 | C10 | 179.4° | 90.0° |
C4 | C9 | N2 | FE1 | 0.5° | 90.0° |
C9 | C4 | C5 | H4 | 0.5° | 90.0° |
C4 | C9 | C8 | H6 | 0.5° | 90.0° |
C7 | C6 | C10 | H5 | 180.0° | 90.0° |
C6 | C7 | C8 | C15 | 179.7° | 90.0° |
C6 | C7 | C8 | C9 | 0.3° | 90.0° |
C7 | C6 | C10 | N2 | 0.1° | 90.0° |
C6 | C7 | C15 | N7 | 106.5° | 90.0° |
C6 | C7 | C8 | H6 | 179.7° | 90.0° |
C7 | C6 | C10 | H7 | 179.9° | 90.0° |
C6 | C7 | C15 | H24 | 133.4° | 90.0° |
C6 | C7 | C15 | H25 | 13.6° | 90.0° |
C10 | C6 | C7 | C8 | 0.3° | 90.0° |
C10 | C6 | C7 | C15 | 179.4° | 90.0° |
C6 | C10 | N2 | C9 | 0.1° | 90.0° |
C6 | C10 | N2 | H7 | 180.0° | 90.0° |
C6 | C10 | N2 | FE1 | 179.9° | 90.0° |
C7 | C8 | C9 | H6 | 180.0° | 90.0° |
C7 | C8 | C9 | N2 | 0.2° | 90.0° |
C8 | C7 | C15 | N7 | 73.1° | 90.0° |
C8 | C7 | C6 | H5 | 179.7° | 90.0° |
C8 | C7 | C15 | H24 | 46.9° | 90.0° |
C8 | C7 | C15 | H25 | 166.8° | 90.0° |
C15 | C7 | C8 | C9 | 179.4° | 90.0° |
C7 | C15 | N7 | H24 | 120.1° | 90.0° |
C7 | C15 | N7 | H25 | 120.1° | 90.0° |
C7 | C15 | N7 | C18 | 104.0° | 90.0° |
C15 | C7 | C6 | H5 | 0.6° | 90.0° |
C15 | C7 | C8 | H6 | 0.6° | 90.0° |
C7 | C15 | H24 | H25 | 119.8° | 90.0° |
C7 | C15 | N7 | H39 | 76.0° | 90.0° |
C8 | C9 | N2 | C10 | 0.0° | 90.0° |
C8 | C9 | N2 | FE1 | 179.9° | 90.0° |
C9 | N2 | C10 | FE1 | 179.8° | 90.0° |
C9 | N2 | FE1 | C11 | 178.6° | 90.0° |
C9 | N2 | FE1 | C12 | 167.4° | 90.0° |
C9 | N2 | FE1 | C13 | 98.4° | 90.0° |
C9 | N2 | FE1 | C14 | 88.6° | 90.0° |
N2 | C9 | C8 | H6 | 179.9° | 90.0° |
C9 | N2 | C10 | H7 | 179.9° | 90.0° |
C10 | N2 | FE1 | C11 | 1.2° | 90.0° |
C10 | N2 | FE1 | C12 | 12.4° | 90.0° |
C10 | N2 | FE1 | C13 | 81.7° | 90.0° |
C10 | N2 | FE1 | C14 | 91.3° | 90.0° |
N2 | C10 | C6 | H5 | 179.9° | 90.0° |
N2 | FE1 | C11 | C12 | 179.2° | 90.0° |
N2 | FE1 | C11 | C13 | 92.9° | 90.0° |
N2 | FE1 | C11 | C14 | 84.3° | 90.0° |
N2 | FE1 | C12 | C13 | 94.4° | 90.0° |
N2 | FE1 | C12 | C14 | 78.5° | 90.0° |
N2 | FE1 | C13 | C14 | 75.7° | 90.0° |
N2 | FE1 | C11 | N3 | 143.1° | 90.0° |
N2 | FE1 | C12 | N4 | 27.5° | 90.0° |
N2 | FE1 | C13 | N5 | 134.2° | 90.0° |
N2 | FE1 | C14 | N6 | 4.0° | 90.0° |
FE1 | N2 | C10 | H7 | 0.1° | 90.0° |
C11 | FE1 | C12 | C13 | 83.1° | 90.0° |
C11 | FE1 | C12 | C14 | 89.8° | 90.0° |
C11 | FE1 | C13 | C14 | 23.1° | 90.0° |
C11 | FE1 | C12 | N4 | 16.2° | 90.0° |
C11 | FE1 | C13 | N5 | 35.3° | 90.0° |
C11 | FE1 | C14 | N6 | 95.2° | 90.0° |
C12 | FE1 | C13 | C14 | 100.1° | 90.0° |
C12 | FE1 | C11 | N3 | 36.0° | 90.0° |
C12 | FE1 | C13 | N5 | 41.6° | 90.0° |
C12 | FE1 | C14 | N6 | 171.8° | 90.0° |
C13 | FE1 | C11 | N3 | 124.0° | 90.0° |
C13 | FE1 | C12 | N4 | 66.9° | 90.0° |
C13 | FE1 | C14 | N6 | 72.3° | 90.0° |
C14 | FE1 | C11 | N3 | 58.9° | 90.0° |
C14 | FE1 | C12 | N4 | 106.0° | 90.0° |
C14 | FE1 | C13 | N5 | 58.5° | 90.0° |
C15 | N7 | C18 | C17 | 124.9° | 90.0° |
C15 | N7 | C18 | H39 | 180.0° | 90.0° |
C15 | N7 | C18 | O1 | 45.6° | 90.0° |
N7 | C15 | H24 | H25 | 119.7° | 90.0° |
C17 | C16 | C19 | H26 | 117.8° | 90.0° |
C17 | C16 | C19 | H27 | 117.7° | 90.0° |
C16 | C17 | C18 | H28 | 119.9° | 90.0° |
C16 | C17 | C18 | H29 | 119.9° | 90.0° |
C16 | C17 | C18 | N7 | 31.1° | 90.0° |
C16 | C17 | C18 | O1 | 139.1° | 90.0° |
C17 | C16 | C19 | C20 | 120.0° | 90.0° |
C17 | C16 | H26 | H27 | 126.3° | 90.0° |
C16 | C17 | H28 | H29 | 120.3° | 90.0° |
C17 | C16 | C19 | H30 | 117.8° | 90.0° |
C17 | C16 | C19 | H31 | 2.2° | 90.0° |
C19 | C16 | C17 | C18 | 144.1° | 90.0° |
C16 | C19 | C20 | H30 | 122.2° | 90.0° |
C16 | C19 | C20 | H31 | 122.2° | 90.0° |
C16 | C19 | C20 | C21 | 55.2° | 90.0° |
C19 | C16 | H26 | H27 | 126.3° | 90.0° |
C19 | C16 | C17 | H28 | 96.0° | 90.0° |
C19 | C16 | C17 | H29 | 24.2° | 90.0° |
C16 | C19 | H30 | H31 | 112.6° | 90.0° |
C16 | C19 | C20 | H32 | 174.7° | 90.0° |
C16 | C19 | C20 | H33 | 64.3° | 90.0° |
C17 | C18 | N7 | O1 | 170.5° | 90.0° |
C18 | C17 | C16 | H26 | 98.2° | 90.0° |
C18 | C17 | C16 | H27 | 26.4° | 90.0° |
C18 | C17 | H28 | H29 | 120.2° | 90.0° |
C17 | C18 | N7 | H39 | 55.1° | 90.0° |
C18 | N7 | C15 | H24 | 16.1° | 90.0° |
C18 | N7 | C15 | H25 | 135.9° | 90.0° |
N7 | C18 | C17 | H28 | 151.1° | 90.0° |
N7 | C18 | C17 | H29 | 88.8° | 90.0° |
O1 | C18 | C17 | H28 | 19.1° | 90.0° |
O1 | C18 | C17 | H29 | 101.0° | 90.0° |
O1 | C18 | N7 | H39 | 134.4° | 90.0° |
C19 | C20 | C21 | H32 | 119.5° | 90.0° |
C19 | C20 | C21 | H33 | 119.5° | 90.0° |
C19 | C20 | C21 | C23 | 129.8° | 90.0° |
C19 | C20 | C21 | S1 | 116.8° | 90.0° |
C20 | C19 | C16 | H26 | 2.2° | 90.0° |
C20 | C19 | C16 | H27 | 122.2° | 90.0° |
C20 | C19 | H30 | H31 | 112.7° | 90.0° |
C19 | C20 | H32 | H33 | 121.4° | 90.0° |
C19 | C20 | C21 | H34 | 9.3° | 90.0° |
C20 | C21 | C23 | S1 | 127.8° | 90.0° |
C20 | C21 | C23 | H34 | 120.4° | 90.0° |
C20 | C21 | S1 | H34 | 127.4° | 90.0° |
C20 | C21 | S1 | C22 | 161.7° | 90.0° |
C20 | C21 | C23 | C24 | 160.9° | 90.0° |
C20 | C21 | C23 | N9 | 44.1° | 90.0° |
C21 | C20 | C19 | H30 | 67.0° | 90.0° |
C21 | C20 | C19 | H31 | 177.4° | 90.0° |
C21 | C20 | H32 | H33 | 121.4° | 90.0° |
C20 | C21 | C23 | H37 | 77.4° | 90.0° |
C23 | C21 | S1 | H34 | 114.3° | 90.0° |
C21 | C23 | C24 | C22 | 0.9° | 90.0° |
C23 | C21 | S1 | C22 | 43.4° | 90.0° |
C21 | C23 | C24 | N9 | 124.0° | 90.0° |
C21 | C23 | C24 | H37 | 121.4° | 90.0° |
C21 | C23 | N9 | H37 | 121.1° | 90.0° |
C21 | C23 | C24 | N8 | 124.0° | 90.0° |
C21 | C23 | N9 | C25 | 124.4° | 90.0° |
C23 | C21 | C20 | H32 | 10.3° | 90.0° |
C23 | C21 | C20 | H33 | 110.6° | 90.0° |
C21 | C23 | C24 | H38 | 117.8° | 90.0° |
C21 | C23 | N9 | H41 | 55.6° | 90.0° |
C21 | S1 | C22 | C24 | 47.3° | 90.0° |
S1 | C21 | C23 | C24 | 33.1° | 90.0° |
S1 | C21 | C23 | N9 | 83.7° | 90.0° |
S1 | C21 | C20 | H32 | 123.6° | 90.0° |
S1 | C21 | C20 | H33 | 2.7° | 90.0° |
C21 | S1 | C22 | H35 | 72.1° | 90.0° |
C21 | S1 | C22 | H36 | 166.7° | 90.0° |
S1 | C21 | C23 | H37 | 154.8° | 90.0° |
C24 | C22 | S1 | H35 | 119.4° | 90.0° |
C24 | C22 | S1 | H36 | 119.4° | 90.0° |
C22 | C24 | C23 | N8 | 123.1° | 90.0° |
C22 | C24 | C23 | H38 | 118.8° | 90.0° |
C22 | C24 | C23 | N9 | 123.0° | 90.0° |
C22 | C24 | N8 | H38 | 126.6° | 90.0° |
C22 | C24 | N8 | C25 | 115.5° | 90.0° |
C24 | C22 | H35 | H36 | 121.8° | 90.0° |
C22 | C24 | C23 | H37 | 122.3° | 90.0° |
C22 | C24 | N8 | H40 | 64.4° | 90.0° |
S1 | C22 | C24 | C23 | 32.7° | 90.0° |
S1 | C22 | C24 | N8 | 81.8° | 90.0° |
C22 | S1 | C21 | H34 | 70.8° | 90.0° |
S1 | C22 | H35 | H36 | 121.8° | 90.0° |
S1 | C22 | C24 | H38 | 151.4° | 90.0° |
C24 | C23 | N9 | H37 | 114.7° | 90.0° |
C23 | C24 | N8 | H38 | 118.0° | 90.0° |
C23 | C24 | N8 | C25 | 0.1° | 90.0° |
C24 | C23 | N9 | C25 | 0.2° | 90.0° |
C24 | C23 | C21 | H34 | 78.7° | 90.0° |
C23 | C24 | C22 | H35 | 86.7° | 90.0° |
C23 | C24 | C22 | H36 | 152.1° | 90.0° |
C23 | C24 | N8 | H40 | 179.9° | 90.0° |
C24 | C23 | N9 | H41 | 179.8° | 90.0° |
N9 | C23 | C24 | N8 | 0.0° | 90.0° |
C23 | N9 | C25 | O2 | 179.7° | 90.0° |
C23 | N9 | C25 | N8 | 0.3° | 90.0° |
C23 | N9 | C25 | H41 | 180.0° | 90.0° |
N9 | C23 | C21 | H34 | 164.5° | 90.0° |
N9 | C23 | C24 | H38 | 118.2° | 90.0° |
C24 | N8 | C25 | O2 | 179.7° | 90.0° |
C24 | N8 | C25 | H40 | 180.0° | 90.0° |
C24 | N8 | C25 | N9 | 0.2° | 90.0° |
N8 | C24 | C22 | H35 | 158.8° | 90.0° |
N8 | C24 | C22 | H36 | 37.6° | 90.0° |
N8 | C24 | C23 | H37 | 114.6° | 90.0° |
O2 | C25 | N8 | N9 | 180.0° | 90.0° |
O2 | C25 | N8 | H40 | 0.3° | 90.0° |
O2 | C25 | N9 | H41 | 0.3° | 90.0° |
C25 | N8 | C24 | H38 | 117.8° | 90.0° |
N8 | C25 | N9 | H41 | 179.8° | 90.0° |
C25 | N9 | C23 | H37 | 114.5° | 90.0° |
N9 | C25 | N8 | H40 | 179.8° | 90.0° |
C26 | C1 | C2 | H2 | 4.9° | 90.0° |
C26 | C1 | C5 | H4 | 5.7° | 90.0° |
C1 | C26 | H251 | H261 | 120.0° | 90.0° |
C1 | C26 | H251 | H271 | 120.0° | 90.0° |
C1 | C26 | H261 | H271 | 120.0° | 90.0° |
H2 | C2 | C3 | H3 | 0.1° | 90.0° |
H5 | C6 | C10 | H7 | 0.1° | 90.0° |
H24 | C15 | N7 | H39 | 163.9° | 90.0° |
H25 | C15 | N7 | H39 | 44.1° | 90.0° |
H26 | C16 | C17 | H28 | 21.7° | 90.0° |
H26 | C16 | C17 | H29 | 141.9° | 90.0° |
H26 | C16 | C19 | H30 | 124.4° | 90.0° |
H26 | C16 | C19 | H31 | 120.0° | 90.0° |
H27 | C16 | C17 | H28 | 146.2° | 90.0° |
H27 | C16 | C17 | H29 | 93.5° | 90.0° |
H27 | C16 | C19 | H30 | 0.0° | 90.0° |
H27 | C16 | C19 | H31 | 115.5° | 90.0° |
H30 | C19 | C20 | H32 | 52.6° | 90.0° |
H30 | C19 | C20 | H33 | 173.5° | 90.0° |
H31 | C19 | C20 | H32 | 63.0° | 90.0° |
H31 | C19 | C20 | H33 | 57.9° | 90.0° |
H32 | C20 | C21 | H34 | 110.2° | 90.0° |
H33 | C20 | C21 | H34 | 128.9° | 90.0° |
H34 | C21 | C23 | H37 | 43.0° | 90.0° |
H35 | C22 | C24 | H38 | 32.1° | 90.0° |
H36 | C22 | C24 | H38 | 89.2° | 90.0° |
H37 | C23 | C24 | H38 | 3.6° | 90.0° |
H37 | C23 | N9 | H41 | 65.5° | 90.0° |
H38 | C24 | N8 | H40 | 62.2° | 90.0° |
H251 | C26 | H261 | H271 | 120.0° | 90.0° |