YIA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | N1 | sing | 0.00Å | 1.46Å | |
C6 | C5 | sing | 0.00Å | 1.51Å | |
N1 | C7 | sing | 0.00Å | 1.34Å | |
C12 | C11 | sing | 0.00Å | 1.48Å | |
C12 | N2 | sing | 0.00Å | 1.46Å | |
O2 | C11 | sing | 0.00Å | 1.37Å | Aromatic |
O2 | C8 | sing | 0.00Å | 1.37Å | Aromatic |
C11 | C10 | doub | 0.00Å | 1.34Å | Aromatic |
C7 | C8 | sing | 0.00Å | 1.47Å | |
C7 | O3 | doub | 0.00Å | 1.24Å | |
C8 | C9 | doub | 0.00Å | 1.35Å | Aromatic |
C10 | C9 | sing | 0.00Å | 1.41Å | Aromatic |
O1 | C19 | doub | 0.00Å | 1.23Å | |
C5 | C4 | sing | 0.00Å | 1.51Å | |
N2 | C19 | sing | 0.00Å | 1.38Å | |
N2 | C13 | sing | 0.00Å | 1.44Å | |
C19 | N3 | sing | 0.00Å | 1.37Å | |
C33 | N3 | sing | 0.00Å | 1.46Å | |
C33 | C32 | sing | 0.00Å | 1.51Å | |
C4 | C3 | doub | 0.00Å | 1.39Å | Aromatic |
C4 | C34 | sing | 0.00Å | 1.39Å | Aromatic |
N3 | C20 | sing | 0.00Å | 1.47Å | |
C3 | C2 | sing | 0.00Å | 1.38Å | Aromatic |
C13 | C14 | doub | 0.00Å | 1.39Å | Aromatic |
C13 | C18 | sing | 0.00Å | 1.39Å | Aromatic |
C14 | C15 | sing | 0.00Å | 1.39Å | Aromatic |
C34 | C35 | doub | 0.00Å | 1.39Å | Aromatic |
C20 | C21 | sing | 0.00Å | 1.51Å | |
C32 | N4 | sing | 0.00Å | 1.52Å | |
C18 | C17 | doub | 0.00Å | 1.39Å | Aromatic |
C2 | C1 | doub | 0.00Å | 1.36Å | Aromatic |
C29 | C28 | doub | 0.00Å | 1.38Å | Aromatic |
C29 | C30 | sing | 0.00Å | 1.39Å | Aromatic |
C31 | N4 | sing | 0.00Å | 1.51Å | |
C35 | C1 | sing | 0.00Å | 1.37Å | Aromatic |
C15 | C16 | doub | 0.00Å | 1.37Å | Aromatic |
C28 | C27 | sing | 0.00Å | 1.38Å | Aromatic |
C1 | F1 | sing | 0.00Å | 1.36Å | |
C30 | C25 | doub | 0.00Å | 1.39Å | Aromatic |
N4 | C21 | sing | 0.00Å | 1.51Å | |
N4 | C22 | sing | 0.00Å | 1.53Å | |
C17 | C16 | sing | 0.00Å | 1.37Å | Aromatic |
C16 | F2 | sing | 0.00Å | 1.36Å | |
C27 | C26 | doub | 0.00Å | 1.39Å | Aromatic |
C25 | C26 | sing | 0.00Å | 1.39Å | Aromatic |
C25 | C24 | sing | 0.00Å | 1.52Å | |
C22 | C23 | sing | 0.00Å | 1.54Å | |
C23 | C24 | sing | 0.00Å | 1.55Å | |
C2 | H1 | sing | 0.00Å | 1.08Å | |
C3 | H2 | sing | 0.00Å | 1.08Å | |
C5 | H3 | sing | 0.00Å | 1.10Å | |
C5 | H4 | sing | 0.00Å | 1.10Å | |
C6 | H5 | sing | 0.00Å | 1.10Å | |
C6 | H6 | sing | 0.00Å | 1.10Å | |
N1 | H7 | sing | 0.00Å | 1.00Å | |
C9 | H8 | sing | 0.00Å | 1.08Å | |
C10 | H9 | sing | 0.00Å | 1.08Å | |
C12 | H10 | sing | 0.00Å | 1.10Å | |
C12 | H11 | sing | 0.00Å | 1.10Å | |
C14 | H12 | sing | 0.00Å | 1.08Å | |
C15 | H13 | sing | 0.00Å | 1.08Å | |
C17 | H14 | sing | 0.00Å | 1.08Å | |
C18 | H15 | sing | 0.00Å | 1.08Å | |
C20 | H16 | sing | 0.00Å | 1.10Å | |
C20 | H17 | sing | 0.00Å | 1.10Å | |
C21 | H18 | sing | 0.00Å | 1.10Å | |
C21 | H19 | sing | 0.00Å | 1.10Å | |
C22 | H20 | sing | 0.00Å | 1.10Å | |
C22 | H21 | sing | 0.00Å | 1.10Å | |
C23 | H22 | sing | 0.00Å | 1.10Å | |
C23 | H23 | sing | 0.00Å | 1.10Å | |
C24 | H24 | sing | 0.00Å | 1.10Å | |
C24 | H25 | sing | 0.00Å | 1.10Å | |
C26 | H26 | sing | 0.00Å | 1.08Å | |
C27 | H27 | sing | 0.00Å | 1.08Å | |
C28 | H28 | sing | 0.00Å | 1.08Å | |
C29 | H29 | sing | 0.00Å | 1.08Å | |
C30 | H30 | sing | 0.00Å | 1.08Å | |
C31 | H31 | sing | 0.00Å | 1.10Å | |
C31 | H32 | sing | 0.00Å | 1.10Å | |
C31 | H33 | sing | 0.00Å | 1.10Å | |
C32 | H34 | sing | 0.00Å | 1.10Å | |
C32 | H35 | sing | 0.00Å | 1.10Å | |
C33 | H36 | sing | 0.00Å | 1.10Å | |
C33 | H37 | sing | 0.00Å | 1.10Å | |
C34 | H38 | sing | 0.00Å | 1.08Å | |
C35 | H39 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C6 | C5 | 111.1° | 90.0° |
C6 | N1 | C7 | 124.7° | 90.0° |
N1 | C6 | H5 | 109.1° | 90.0° |
N1 | C6 | H6 | 109.1° | 90.0° |
C6 | N1 | H7 | 117.7° | 90.0° |
C6 | C5 | C4 | 110.5° | 90.0° |
C6 | C5 | H3 | 109.2° | 90.0° |
C6 | C5 | H4 | 109.2° | 90.0° |
C5 | C6 | H5 | 109.1° | 90.0° |
C5 | C6 | H6 | 109.1° | 90.0° |
N1 | C7 | C8 | 115.6° | 90.0° |
N1 | C7 | O3 | 122.5° | 90.0° |
C7 | N1 | H7 | 117.6° | 90.0° |
C11 | C12 | N2 | 111.6° | 90.0° |
C12 | C11 | O2 | 117.2° | 90.0° |
C12 | C11 | C10 | 133.1° | 90.0° |
C11 | C12 | H10 | 108.9° | 90.0° |
C11 | C12 | H11 | 108.9° | 90.0° |
C12 | N2 | C19 | 120.6° | 90.0° |
C12 | N2 | C13 | 118.1° | 90.0° |
N2 | C12 | H10 | 109.0° | 90.0° |
N2 | C12 | H11 | 108.9° | 90.0° |
C11 | O2 | C8 | 106.7° | 90.0° |
O2 | C11 | C10 | 109.7° | 90.0° |
O2 | C8 | C7 | 117.9° | 90.0° |
O2 | C8 | C9 | 109.3° | 90.0° |
C11 | C10 | C9 | 107.3° | 90.0° |
C11 | C10 | H9 | 126.4° | 90.0° |
C8 | C7 | O3 | 121.9° | 90.0° |
C7 | C8 | C9 | 132.8° | 90.0° |
C8 | C9 | C10 | 107.0° | 90.0° |
C8 | C9 | H8 | 126.5° | 90.0° |
C10 | C9 | H8 | 126.5° | 90.0° |
C9 | C10 | H9 | 126.3° | 90.0° |
O1 | C19 | N2 | 118.5° | 90.0° |
O1 | C19 | N3 | 119.5° | 90.0° |
C5 | C4 | C3 | 120.0° | 90.0° |
C5 | C4 | C34 | 121.6° | 90.0° |
C4 | C5 | H3 | 109.2° | 90.0° |
C4 | C5 | H4 | 109.2° | 90.0° |
C19 | N2 | C13 | 121.1° | 90.0° |
N2 | C19 | N3 | 121.9° | 90.0° |
N2 | C13 | C14 | 121.4° | 90.0° |
N2 | C13 | C18 | 120.1° | 90.0° |
C19 | N3 | C33 | 118.3° | 90.0° |
C19 | N3 | C20 | 128.6° | 90.0° |
N3 | C33 | C32 | 111.8° | 90.0° |
C33 | N3 | C20 | 112.7° | 90.0° |
N3 | C33 | H36 | 108.9° | 90.0° |
N3 | C33 | H37 | 108.9° | 90.0° |
C33 | C32 | N4 | 113.0° | 90.0° |
C33 | C32 | H34 | 108.6° | 90.0° |
C33 | C32 | H35 | 108.6° | 90.0° |
C32 | C33 | H36 | 108.9° | 90.0° |
C32 | C33 | H37 | 108.9° | 90.0° |
C3 | C4 | C34 | 118.4° | 90.0° |
C4 | C3 | C2 | 121.3° | 90.0° |
C4 | C3 | H2 | 119.3° | 90.0° |
C4 | C34 | C35 | 121.0° | 90.0° |
C4 | C34 | H38 | 119.5° | 90.0° |
N3 | C20 | C21 | 112.1° | 90.0° |
N3 | C20 | H16 | 108.8° | 90.0° |
N3 | C20 | H17 | 108.8° | 90.0° |
C3 | C2 | C1 | 118.0° | 90.0° |
C3 | C2 | H1 | 121.0° | 90.0° |
C2 | C3 | H2 | 119.3° | 90.0° |
C14 | C13 | C18 | 118.6° | 90.0° |
C13 | C14 | C15 | 120.8° | 90.0° |
C13 | C14 | H12 | 119.6° | 90.0° |
C13 | C18 | C17 | 121.0° | 90.0° |
C13 | C18 | H15 | 119.5° | 90.0° |
C14 | C15 | C16 | 118.3° | 90.0° |
C15 | C14 | H12 | 119.6° | 90.0° |
C14 | C15 | H13 | 120.8° | 90.0° |
C34 | C35 | C1 | 117.7° | 90.0° |
C35 | C34 | H38 | 119.5° | 90.0° |
C34 | C35 | H39 | 121.1° | 90.0° |
C20 | C21 | N4 | 111.9° | 90.0° |
C21 | C20 | H16 | 108.8° | 90.0° |
C21 | C20 | H17 | 108.8° | 90.0° |
C20 | C21 | H18 | 108.9° | 90.0° |
C20 | C21 | H19 | 108.9° | 90.0° |
C32 | N4 | C31 | 112.2° | 90.0° |
C32 | N4 | C21 | 106.9° | 90.0° |
C32 | N4 | C22 | 108.8° | 90.0° |
N4 | C32 | H34 | 108.6° | 90.0° |
N4 | C32 | H35 | 108.6° | 90.0° |
C18 | C17 | C16 | 118.3° | 90.0° |
C18 | C17 | H14 | 120.8° | 90.0° |
C17 | C18 | H15 | 119.5° | 90.0° |
C2 | C1 | C35 | 123.5° | 90.0° |
C2 | C1 | F1 | 117.6° | 90.0° |
C1 | C2 | H1 | 121.0° | 90.0° |
C28 | C29 | C30 | 120.3° | 90.0° |
C29 | C28 | C27 | 119.7° | 90.0° |
C29 | C28 | H28 | 120.2° | 90.0° |
C28 | C29 | H29 | 119.8° | 90.0° |
C29 | C30 | C25 | 120.7° | 90.0° |
C30 | C29 | H29 | 119.9° | 90.0° |
C29 | C30 | H30 | 119.6° | 90.0° |
C31 | N4 | C21 | 110.5° | 90.0° |
C31 | N4 | C22 | 108.6° | 90.0° |
N4 | C31 | H31 | 109.5° | 90.0° |
N4 | C31 | H32 | 109.5° | 90.0° |
N4 | C31 | H33 | 109.4° | 90.0° |
C35 | C1 | F1 | 119.0° | 90.0° |
C1 | C35 | H39 | 121.1° | 90.0° |
C15 | C16 | C17 | 123.0° | 90.0° |
C15 | C16 | F2 | 118.8° | 90.0° |
C16 | C15 | H13 | 120.9° | 90.0° |
C28 | C27 | C26 | 120.3° | 90.0° |
C28 | C27 | H27 | 119.9° | 90.0° |
C27 | C28 | H28 | 120.2° | 90.0° |
C30 | C25 | C26 | 118.2° | 90.0° |
C30 | C25 | C24 | 122.3° | 90.0° |
C25 | C30 | H30 | 119.6° | 90.0° |
C21 | N4 | C22 | 109.8° | 90.0° |
N4 | C21 | H18 | 108.9° | 90.0° |
N4 | C21 | H19 | 108.9° | 90.0° |
N4 | C22 | C23 | 115.5° | 90.0° |
N4 | C22 | H20 | 107.9° | 90.0° |
N4 | C22 | H21 | 107.9° | 90.0° |
C17 | C16 | F2 | 118.2° | 90.0° |
C16 | C17 | H14 | 120.8° | 90.0° |
C27 | C26 | C25 | 120.9° | 90.0° |
C27 | C26 | H26 | 119.5° | 90.0° |
C26 | C27 | H27 | 119.9° | 90.0° |
C26 | C25 | C24 | 119.5° | 90.0° |
C25 | C26 | H26 | 119.6° | 90.0° |
C25 | C24 | C23 | 119.4° | 90.0° |
C25 | C24 | H24 | 106.9° | 90.0° |
C25 | C24 | H25 | 106.9° | 90.0° |
C22 | C23 | C24 | 112.9° | 90.0° |
C23 | C22 | H20 | 107.9° | 90.0° |
C23 | C22 | H21 | 107.9° | 90.0° |
C22 | C23 | H22 | 108.6° | 90.0° |
C22 | C23 | H23 | 108.6° | 90.0° |
C24 | C23 | H22 | 108.6° | 90.0° |
C24 | C23 | H23 | 108.6° | 90.0° |
C23 | C24 | H24 | 106.9° | 90.0° |
C23 | C24 | H25 | 106.9° | 90.0° |
H3 | C5 | H4 | 109.5° | 90.0° |
H5 | C6 | H6 | 109.5° | 90.0° |
H10 | C12 | H11 | 109.5° | 90.0° |
H16 | C20 | H17 | 109.5° | 90.0° |
H18 | C21 | H19 | 109.5° | 90.0° |
H20 | C22 | H21 | 109.5° | 90.0° |
H22 | C23 | H23 | 109.5° | 90.0° |
H24 | C24 | H25 | 109.5° | 90.0° |
H31 | C31 | H32 | 109.5° | 90.0° |
H31 | C31 | H33 | 109.5° | 90.0° |
H32 | C31 | H33 | 109.5° | 90.0° |
H34 | C32 | H35 | 109.4° | 90.0° |
H36 | C33 | H37 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C6 | C5 | H5 | 120.2° | 90.0° |
N1 | C6 | C5 | H6 | 120.3° | 90.0° |
C6 | N1 | C7 | H7 | 180.0° | 90.0° |
C6 | N1 | C7 | C8 | 175.0° | 90.0° |
C6 | N1 | C7 | O3 | 4.2° | 90.0° |
N1 | C6 | C5 | C4 | 60.4° | 90.0° |
N1 | C6 | C5 | H3 | 59.7° | 90.0° |
N1 | C6 | C5 | H4 | 179.5° | 90.0° |
N1 | C6 | H5 | H6 | 119.3° | 90.0° |
C5 | C6 | N1 | C7 | 102.2° | 90.0° |
C6 | C5 | C4 | H3 | 120.1° | 90.0° |
C6 | C5 | C4 | H4 | 120.2° | 90.0° |
C6 | C5 | C4 | C3 | 93.3° | 90.0° |
C6 | C5 | C4 | C34 | 85.2° | 90.0° |
C6 | C5 | H3 | H4 | 119.6° | 90.0° |
C5 | C6 | H5 | H6 | 119.3° | 90.0° |
C5 | C6 | N1 | H7 | 77.8° | 90.0° |
N1 | C7 | C8 | O2 | 9.4° | 90.0° |
N1 | C7 | C8 | O3 | 179.2° | 90.0° |
N1 | C7 | C8 | C9 | 170.5° | 90.0° |
C7 | N1 | C6 | H5 | 137.6° | 90.0° |
C7 | N1 | C6 | H6 | 18.1° | 90.0° |
C11 | C12 | N2 | H10 | 120.3° | 90.0° |
C11 | C12 | N2 | H11 | 120.3° | 90.0° |
C12 | C11 | O2 | C10 | 178.4° | 90.0° |
C12 | C11 | O2 | C8 | 179.3° | 90.0° |
C12 | C11 | C10 | C9 | 178.4° | 90.0° |
C11 | C12 | N2 | C19 | 139.1° | 90.0° |
C11 | C12 | N2 | C13 | 35.5° | 90.0° |
C12 | C11 | C10 | H9 | 1.6° | 90.0° |
C11 | C12 | H10 | H11 | 119.0° | 90.0° |
N2 | C12 | C11 | O2 | 110.7° | 90.0° |
N2 | C12 | C11 | C10 | 67.3° | 90.0° |
C12 | N2 | C19 | O1 | 39.4° | 90.0° |
C12 | N2 | C19 | C13 | 174.5° | 90.0° |
C12 | N2 | C19 | N3 | 137.1° | 90.0° |
C12 | N2 | C13 | C14 | 56.5° | 90.0° |
C12 | N2 | C13 | C18 | 125.3° | 90.0° |
N2 | C12 | H10 | H11 | 119.0° | 90.0° |
C11 | O2 | C8 | C7 | 178.8° | 90.0° |
C11 | O2 | C8 | C9 | 1.2° | 90.0° |
O2 | C11 | C10 | C9 | 0.4° | 90.0° |
O2 | C11 | C10 | H9 | 179.7° | 90.0° |
O2 | C11 | C12 | H10 | 129.0° | 90.0° |
O2 | C11 | C12 | H11 | 9.7° | 90.0° |
C8 | O2 | C11 | C10 | 0.9° | 90.0° |
O2 | C8 | C7 | C9 | 179.9° | 90.0° |
O2 | C8 | C7 | O3 | 171.4° | 90.0° |
O2 | C8 | C9 | C10 | 0.9° | 90.0° |
O2 | C8 | C9 | H8 | 179.1° | 90.0° |
C11 | C10 | C9 | C8 | 0.3° | 90.0° |
C11 | C10 | C9 | H9 | 180.0° | 90.0° |
C11 | C10 | C9 | H8 | 179.6° | 90.0° |
C10 | C11 | C12 | H10 | 53.1° | 90.0° |
C10 | C11 | C12 | H11 | 172.4° | 90.0° |
C7 | C8 | C9 | C10 | 179.0° | 90.0° |
C8 | C7 | N1 | H7 | 5.0° | 90.0° |
C7 | C8 | C9 | H8 | 1.0° | 90.0° |
O3 | C7 | C8 | C9 | 8.6° | 90.0° |
O3 | C7 | N1 | H7 | 175.8° | 90.0° |
C8 | C9 | C10 | H8 | 180.0° | 90.0° |
C8 | C9 | C10 | H9 | 179.6° | 90.0° |
O1 | C19 | N2 | N3 | 176.6° | 90.0° |
O1 | C19 | N2 | C13 | 135.0° | 90.0° |
O1 | C19 | N3 | C33 | 1.6° | 90.0° |
O1 | C19 | N3 | C20 | 171.5° | 90.0° |
C5 | C4 | C3 | C34 | 178.5° | 90.0° |
C5 | C4 | C3 | C2 | 179.1° | 90.0° |
C5 | C4 | C34 | C35 | 179.5° | 90.0° |
C5 | C4 | C3 | H2 | 0.9° | 90.0° |
C4 | C5 | H3 | H4 | 119.5° | 90.0° |
C4 | C5 | C6 | H5 | 179.4° | 90.0° |
C4 | C5 | C6 | H6 | 59.9° | 90.0° |
C5 | C4 | C34 | H38 | 0.5° | 90.0° |
N2 | C19 | N3 | C33 | 178.2° | 90.0° |
N2 | C19 | N3 | C20 | 5.1° | 90.0° |
C19 | N2 | C13 | C14 | 128.9° | 90.0° |
C19 | N2 | C13 | C18 | 49.3° | 90.0° |
C19 | N2 | C12 | H10 | 18.8° | 90.0° |
C19 | N2 | C12 | H11 | 100.5° | 90.0° |
C13 | N2 | C19 | N3 | 48.4° | 90.0° |
N2 | C13 | C14 | C18 | 178.2° | 90.0° |
N2 | C13 | C14 | C15 | 179.0° | 90.0° |
N2 | C13 | C18 | C17 | 178.4° | 90.0° |
C13 | N2 | C12 | H10 | 155.8° | 90.0° |
C13 | N2 | C12 | H11 | 84.8° | 90.0° |
N2 | C13 | C14 | H12 | 1.0° | 90.0° |
N2 | C13 | C18 | H15 | 1.6° | 90.0° |
C19 | N3 | C33 | C20 | 174.1° | 90.0° |
C19 | N3 | C33 | C32 | 134.0° | 90.0° |
C19 | N3 | C20 | C21 | 133.7° | 90.0° |
C19 | N3 | C20 | H16 | 106.0° | 90.0° |
C19 | N3 | C20 | H17 | 13.2° | 90.0° |
C19 | N3 | C33 | H36 | 13.6° | 90.0° |
C19 | N3 | C33 | H37 | 105.7° | 90.0° |
N3 | C33 | C32 | H36 | 120.4° | 90.0° |
N3 | C33 | C32 | H37 | 120.3° | 90.0° |
C33 | N3 | C20 | C21 | 53.0° | 90.0° |
N3 | C33 | C32 | N4 | 55.0° | 90.0° |
C33 | N3 | C20 | H16 | 67.4° | 90.0° |
C33 | N3 | C20 | H17 | 173.4° | 90.0° |
N3 | C33 | C32 | H34 | 65.5° | 90.0° |
N3 | C33 | C32 | H35 | 175.6° | 90.0° |
N3 | C33 | H36 | H37 | 118.9° | 90.0° |
C32 | C33 | N3 | C20 | 51.9° | 90.0° |
C33 | C32 | N4 | H34 | 120.5° | 90.0° |
C33 | C32 | N4 | H35 | 120.6° | 90.0° |
C33 | C32 | N4 | C31 | 65.0° | 90.0° |
C33 | C32 | N4 | C21 | 56.2° | 90.0° |
C33 | C32 | N4 | C22 | 174.7° | 90.0° |
C33 | C32 | H34 | H35 | 118.4° | 90.0° |
C32 | C33 | H36 | H37 | 118.9° | 90.0° |
C4 | C3 | C2 | H2 | 180.0° | 90.0° |
C3 | C4 | C34 | C35 | 2.0° | 90.0° |
C4 | C3 | C2 | C1 | 0.2° | 90.0° |
C4 | C3 | C2 | H1 | 179.8° | 90.0° |
C3 | C4 | C5 | H3 | 146.6° | 90.0° |
C3 | C4 | C5 | H4 | 26.9° | 90.0° |
C3 | C4 | C34 | H38 | 178.0° | 90.0° |
C34 | C4 | C3 | C2 | 0.6° | 90.0° |
C4 | C34 | C35 | H38 | 180.0° | 90.0° |
C4 | C34 | C35 | C1 | 2.5° | 90.0° |
C34 | C4 | C3 | H2 | 179.4° | 90.0° |
C34 | C4 | C5 | H3 | 34.9° | 90.0° |
C34 | C4 | C5 | H4 | 154.6° | 90.0° |
C4 | C34 | C35 | H39 | 177.5° | 90.0° |
N3 | C20 | C21 | H16 | 120.4° | 90.0° |
N3 | C20 | C21 | H17 | 120.4° | 90.0° |
N3 | C20 | C21 | N4 | 56.5° | 90.0° |
N3 | C20 | H16 | H17 | 118.8° | 90.0° |
N3 | C20 | C21 | H18 | 176.9° | 90.0° |
N3 | C20 | C21 | H19 | 63.9° | 90.0° |
C20 | N3 | C33 | H36 | 172.2° | 90.0° |
C20 | N3 | C33 | H37 | 68.5° | 90.0° |
C3 | C2 | C1 | H1 | 180.0° | 90.0° |
C3 | C2 | C1 | C35 | 0.4° | 90.0° |
C3 | C2 | C1 | F1 | 180.0° | 90.0° |
C13 | C14 | C15 | H12 | 180.0° | 90.0° |
C14 | C13 | C18 | C17 | 0.2° | 90.0° |
C13 | C14 | C15 | C16 | 0.9° | 90.0° |
C13 | C14 | C15 | H13 | 179.0° | 90.0° |
C14 | C13 | C18 | H15 | 179.8° | 90.0° |
C18 | C13 | C14 | C15 | 0.8° | 90.0° |
C13 | C18 | C17 | H15 | 180.0° | 90.0° |
C13 | C18 | C17 | C16 | 0.3° | 90.0° |
C18 | C13 | C14 | H12 | 179.2° | 90.0° |
C13 | C18 | C17 | H14 | 179.7° | 90.0° |
C14 | C15 | C16 | H13 | 180.0° | 90.0° |
C14 | C15 | C16 | C17 | 0.5° | 90.0° |
C14 | C15 | C16 | F2 | 179.2° | 90.0° |
C34 | C35 | C1 | C2 | 1.7° | 90.0° |
C34 | C35 | C1 | H39 | 180.0° | 90.0° |
C34 | C35 | C1 | F1 | 178.6° | 90.0° |
C20 | C21 | N4 | C32 | 56.5° | 90.0° |
C20 | C21 | N4 | C31 | 65.9° | 90.0° |
C20 | C21 | N4 | H18 | 120.4° | 90.0° |
C20 | C21 | N4 | H19 | 120.4° | 90.0° |
C20 | C21 | N4 | C22 | 174.4° | 90.0° |
C21 | C20 | H16 | H17 | 118.8° | 90.0° |
C20 | C21 | H18 | H19 | 118.9° | 90.0° |
C32 | N4 | C31 | C21 | 119.2° | 90.0° |
C32 | N4 | C31 | C22 | 120.4° | 90.0° |
C32 | N4 | C21 | C22 | 117.9° | 90.0° |
C32 | N4 | C22 | C23 | 42.1° | 90.0° |
C32 | N4 | C21 | H18 | 176.8° | 90.0° |
C32 | N4 | C21 | H19 | 63.9° | 90.0° |
C32 | N4 | C22 | H20 | 162.9° | 90.0° |
C32 | N4 | C22 | H21 | 78.8° | 90.0° |
C32 | N4 | C31 | H31 | 180.0° | 90.0° |
C32 | N4 | C31 | H32 | 60.0° | 90.0° |
C32 | N4 | C31 | H33 | 60.0° | 90.0° |
N4 | C32 | H34 | H35 | 118.4° | 90.0° |
N4 | C32 | C33 | H36 | 175.4° | 90.0° |
N4 | C32 | C33 | H37 | 65.3° | 90.0° |
C18 | C17 | C16 | C15 | 0.1° | 90.0° |
C18 | C17 | C16 | H14 | 180.0° | 90.0° |
C18 | C17 | C16 | F2 | 179.8° | 90.0° |
C2 | C1 | C35 | F1 | 179.6° | 90.0° |
C1 | C2 | C3 | H2 | 179.8° | 90.0° |
C2 | C1 | C35 | H39 | 178.3° | 90.0° |
C28 | C29 | C30 | H29 | 180.0° | 90.0° |
C29 | C28 | C27 | H28 | 180.0° | 90.0° |
C28 | C29 | C30 | C25 | 0.2° | 90.0° |
C29 | C28 | C27 | C26 | 0.3° | 90.0° |
C29 | C28 | C27 | H27 | 179.7° | 90.0° |
C28 | C29 | C30 | H30 | 179.8° | 90.0° |
C30 | C29 | C28 | C27 | 0.5° | 90.0° |
C29 | C30 | C25 | H30 | 180.0° | 90.0° |
C29 | C30 | C25 | C26 | 0.3° | 90.0° |
C29 | C30 | C25 | C24 | 179.2° | 90.0° |
C30 | C29 | C28 | H28 | 179.5° | 90.0° |
C31 | N4 | C21 | C22 | 119.8° | 90.0° |
C31 | N4 | C22 | C23 | 80.3° | 90.0° |
C31 | N4 | C21 | H18 | 54.5° | 90.0° |
C31 | N4 | C21 | H19 | 173.8° | 90.0° |
C31 | N4 | C22 | H20 | 40.5° | 90.0° |
C31 | N4 | C22 | H21 | 158.8° | 90.0° |
N4 | C31 | H31 | H32 | 120.0° | 90.0° |
N4 | C31 | H31 | H33 | 120.0° | 90.0° |
N4 | C31 | H32 | H33 | 120.0° | 90.0° |
C31 | N4 | C32 | H34 | 174.4° | 90.0° |
C31 | N4 | C32 | H35 | 55.5° | 90.0° |
C35 | C1 | C2 | H1 | 179.6° | 90.0° |
C1 | C35 | C34 | H38 | 177.5° | 90.0° |
C15 | C16 | C17 | F2 | 179.7° | 90.0° |
C16 | C15 | C14 | H12 | 179.1° | 90.0° |
C15 | C16 | C17 | H14 | 179.8° | 90.0° |
C28 | C27 | C26 | H27 | 180.0° | 90.0° |
C28 | C27 | C26 | C25 | 0.2° | 90.0° |
C28 | C27 | C26 | H26 | 179.8° | 90.0° |
C27 | C28 | C29 | H29 | 179.5° | 90.0° |
F1 | C1 | C2 | H1 | 0.0° | 90.0° |
F1 | C1 | C35 | H39 | 1.3° | 90.0° |
C30 | C25 | C26 | C27 | 0.5° | 90.0° |
C30 | C25 | C26 | C24 | 179.0° | 90.0° |
C30 | C25 | C24 | C23 | 14.5° | 90.0° |
C30 | C25 | C24 | H24 | 106.9° | 90.0° |
C30 | C25 | C24 | H25 | 135.9° | 90.0° |
C30 | C25 | C26 | H26 | 179.5° | 90.0° |
C25 | C30 | C29 | H29 | 179.8° | 90.0° |
C21 | N4 | C22 | C23 | 158.8° | 90.0° |
N4 | C21 | C20 | H16 | 63.9° | 90.0° |
N4 | C21 | C20 | H17 | 176.9° | 90.0° |
N4 | C21 | H18 | H19 | 118.9° | 90.0° |
C21 | N4 | C22 | H20 | 80.4° | 90.0° |
C21 | N4 | C22 | H21 | 37.9° | 90.0° |
C21 | N4 | C31 | H31 | 60.8° | 90.0° |
C21 | N4 | C31 | H32 | 179.2° | 90.0° |
C21 | N4 | C31 | H33 | 59.2° | 90.0° |
C21 | N4 | C32 | H34 | 64.3° | 90.0° |
C21 | N4 | C32 | H35 | 176.8° | 90.0° |
N4 | C22 | C23 | H20 | 120.9° | 90.0° |
N4 | C22 | C23 | H21 | 120.9° | 90.0° |
N4 | C22 | C23 | C24 | 98.3° | 90.0° |
C22 | N4 | C21 | H18 | 65.3° | 90.0° |
C22 | N4 | C21 | H19 | 54.0° | 90.0° |
N4 | C22 | H20 | H21 | 117.3° | 90.0° |
N4 | C22 | C23 | H22 | 22.2° | 90.0° |
N4 | C22 | C23 | H23 | 141.2° | 90.0° |
C22 | N4 | C31 | H31 | 59.7° | 90.0° |
C22 | N4 | C31 | H32 | 60.3° | 90.0° |
C22 | N4 | C31 | H33 | 179.7° | 90.0° |
C22 | N4 | C32 | H34 | 54.2° | 90.0° |
C22 | N4 | C32 | H35 | 64.7° | 90.0° |
C17 | C16 | C15 | H13 | 179.5° | 90.0° |
C16 | C17 | C18 | H15 | 179.7° | 90.0° |
F2 | C16 | C15 | H13 | 0.8° | 90.0° |
F2 | C16 | C17 | H14 | 0.1° | 90.0° |
C27 | C26 | C25 | H26 | 180.0° | 90.0° |
C27 | C26 | C25 | C24 | 179.4° | 90.0° |
C26 | C27 | C28 | H28 | 179.7° | 90.0° |
C26 | C25 | C24 | C23 | 166.5° | 90.0° |
C26 | C25 | C24 | H24 | 72.0° | 90.0° |
C26 | C25 | C24 | H25 | 45.2° | 90.0° |
C25 | C26 | C27 | H27 | 179.8° | 90.0° |
C26 | C25 | C30 | H30 | 179.7° | 90.0° |
C25 | C24 | C23 | C22 | 149.8° | 90.0° |
C25 | C24 | C23 | H24 | 121.4° | 90.0° |
C25 | C24 | C23 | H25 | 121.4° | 90.0° |
C25 | C24 | C23 | H22 | 29.2° | 90.0° |
C25 | C24 | C23 | H23 | 89.7° | 90.0° |
C25 | C24 | H24 | H25 | 115.5° | 90.0° |
C24 | C25 | C26 | H26 | 0.5° | 90.0° |
C24 | C25 | C30 | H30 | 0.8° | 90.0° |
C22 | C23 | C24 | H22 | 120.5° | 90.0° |
C22 | C23 | C24 | H23 | 120.5° | 90.0° |
C23 | C22 | H20 | H21 | 117.2° | 90.0° |
C22 | C23 | H22 | H23 | 118.4° | 90.0° |
C22 | C23 | C24 | H24 | 28.4° | 90.0° |
C22 | C23 | C24 | H25 | 88.8° | 90.0° |
C24 | C23 | C22 | H20 | 140.8° | 90.0° |
C24 | C23 | C22 | H21 | 22.6° | 90.0° |
C24 | C23 | H22 | H23 | 118.4° | 90.0° |
C23 | C24 | H24 | H25 | 115.5° | 90.0° |
H1 | C2 | C3 | H2 | 0.2° | 90.0° |
H3 | C5 | C6 | H5 | 60.5° | 90.0° |
H3 | C5 | C6 | H6 | 180.0° | 90.0° |
H4 | C5 | C6 | H5 | 59.2° | 90.0° |
H4 | C5 | C6 | H6 | 60.3° | 90.0° |
H5 | C6 | N1 | H7 | 42.4° | 90.0° |
H6 | C6 | N1 | H7 | 161.9° | 90.0° |
H8 | C9 | C10 | H9 | 0.4° | 90.0° |
H12 | C14 | C15 | H13 | 1.0° | 90.0° |
H14 | C17 | C18 | H15 | 0.3° | 90.0° |
H16 | C20 | C21 | H18 | 56.5° | 90.0° |
H16 | C20 | C21 | H19 | 175.7° | 90.0° |
H17 | C20 | C21 | H18 | 62.8° | 90.0° |
H17 | C20 | C21 | H19 | 56.5° | 90.0° |
H20 | C22 | C23 | H22 | 98.6° | 90.0° |
H20 | C22 | C23 | H23 | 20.3° | 90.0° |
H21 | C22 | C23 | H22 | 143.1° | 90.0° |
H21 | C22 | C23 | H23 | 97.9° | 90.0° |
H22 | C23 | C24 | H24 | 92.1° | 90.0° |
H22 | C23 | C24 | H25 | 150.7° | 90.0° |
H23 | C23 | C24 | H24 | 148.9° | 90.0° |
H23 | C23 | C24 | H25 | 31.7° | 90.0° |
H26 | C26 | C27 | H27 | 0.2° | 90.0° |
H27 | C27 | C28 | H28 | 0.3° | 90.0° |
H28 | C28 | C29 | H29 | 0.5° | 90.0° |
H29 | C29 | C30 | H30 | 0.2° | 90.0° |
H31 | C31 | H32 | H33 | 120.0° | 90.0° |
H34 | C32 | C33 | H36 | 54.9° | 90.0° |
H34 | C32 | C33 | H37 | 174.2° | 90.0° |
H35 | C32 | C33 | H36 | 64.0° | 90.0° |
H35 | C32 | C33 | H37 | 55.3° | 90.0° |
H38 | C34 | C35 | H39 | 2.5° | 90.0° |