JVC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N6 | C22 | sing | 1.47Å | 1.48Å | |
C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | sing | 1.53Å | 1.52Å | |
C16 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
C24 | C25 | sing | 1.51Å | 1.51Å | |
C24 | C23 | sing | 1.51Å | 1.52Å | |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.51Å | 1.51Å | |
C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C31 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | N4 | sing | 1.47Å | 1.45Å | |
C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.51Å | 1.51Å | |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.51Å | 1.51Å | |
C28 | N8 | sing | 1.48Å | 1.45Å | |
C20 | C19 | sing | 1.53Å | 1.51Å | |
N7 | C23 | sing | 1.37Å | 1.33Å | |
N7 | C18 | sing | 1.48Å | 1.46Å | |
C23 | O2 | doub | 1.21Å | 1.24Å | |
O1 | C29 | doub | 1.21Å | 1.23Å | |
C9 | C8 | sing | 1.53Å | 1.54Å | |
C19 | C18 | sing | 1.53Å | 1.52Å | |
N8 | C29 | sing | 1.36Å | 1.33Å | |
C29 | C30 | sing | 1.51Å | 1.52Å | |
C18 | C17 | sing | 1.51Å | 1.53Å | |
N5 | C8 | sing | 1.47Å | 1.46Å | |
N5 | C17 | sing | 1.36Å | 1.34Å | |
C8 | C7 | sing | 1.51Å | 1.53Å | |
C17 | O3 | doub | 1.21Å | 1.24Å | |
O | C | doub | 1.21Å | 1.23Å | |
O4 | C7 | doub | 1.21Å | 1.23Å | |
C30 | N9 | sing | 1.48Å | 1.45Å | |
N2 | C2 | doub | 1.30Å | 1.32Å | |
C7 | N3 | sing | 1.36Å | 1.33Å | |
C | N9 | sing | 1.37Å | 1.33Å | |
C | C1 | sing | 1.51Å | 1.53Å | |
C1 | N | sing | 1.47Å | 1.45Å | |
C1 | C3 | sing | 1.53Å | 1.53Å | |
C2 | N | sing | 1.37Å | 1.34Å | |
C2 | N1 | sing | 1.38Å | 1.38Å | |
N3 | C6 | sing | 1.48Å | 1.46Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
N2 | H4 | sing | 0.97Å | 1.00Å | |
C9 | H5 | sing | 1.09Å | 1.10Å | |
C9 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
N3 | H12 | sing | 0.97Å | 1.00Å | |
C4 | H13 | sing | 1.09Å | 1.10Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
C3 | H16 | sing | 1.09Å | 1.10Å | |
N4 | H17 | sing | 1.01Å | 1.00Å | |
N4 | H18 | sing | 1.01Å | 1.00Å | |
N | H20 | sing | 0.97Å | 1.00Å | |
C11 | H21 | sing | 1.08Å | 1.08Å | |
C13 | H22 | sing | 1.09Å | 1.10Å | |
C13 | H23 | sing | 1.09Å | 1.10Å | |
C14 | H24 | sing | 1.08Å | 1.08Å | |
C15 | H25 | sing | 1.08Å | 1.08Å | |
C16 | H26 | sing | 1.08Å | 1.08Å | |
C18 | H27 | sing | 1.09Å | 1.10Å | |
C19 | H28 | sing | 1.09Å | 1.10Å | |
C19 | H29 | sing | 1.09Å | 1.10Å | |
C20 | H30 | sing | 1.09Å | 1.10Å | |
C20 | H31 | sing | 1.09Å | 1.10Å | |
C21 | H32 | sing | 1.09Å | 1.10Å | |
C21 | H33 | sing | 1.09Å | 1.10Å | |
C22 | H34 | sing | 1.09Å | 1.10Å | |
C22 | H35 | sing | 1.09Å | 1.10Å | |
C24 | H36 | sing | 1.09Å | 1.10Å | |
C24 | H37 | sing | 1.09Å | 1.10Å | |
C26 | H38 | sing | 1.08Å | 1.08Å | |
C28 | H39 | sing | 1.09Å | 1.10Å | |
C28 | H40 | sing | 1.09Å | 1.10Å | |
C30 | H41 | sing | 1.09Å | 1.10Å | |
C30 | H42 | sing | 1.09Å | 1.10Å | |
C31 | H43 | sing | 1.08Å | 1.08Å | |
C32 | H44 | sing | 1.08Å | 1.08Å | |
C33 | H45 | sing | 1.08Å | 1.08Å | |
N5 | H46 | sing | 0.97Å | 1.00Å | |
N6 | H47 | sing | 1.01Å | 1.00Å | |
N6 | H48 | sing | 1.01Å | 1.00Å | |
N7 | H50 | sing | 0.97Å | 1.00Å | |
N8 | H51 | sing | 0.97Å | 1.00Å | |
N9 | H52 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C22 | C21 | 112.9° | 109.5° |
N6 | C22 | H34 | 108.6° | 109.5° |
N6 | C22 | H35 | 108.6° | 109.4° |
C22 | N6 | H47 | 109.5° | 111.0° |
C22 | N6 | H48 | 109.5° | 111.0° |
C14 | C15 | C16 | 119.9° | 120.0° |
C15 | C14 | C12 | 120.6° | 120.1° |
C15 | C14 | H24 | 119.7° | 120.0° |
C14 | C15 | H25 | 120.1° | 120.1° |
C15 | C16 | C10 | 120.7° | 120.0° |
C16 | C15 | H25 | 120.0° | 120.0° |
C15 | C16 | H26 | 119.7° | 120.0° |
C14 | C12 | C13 | 121.5° | 120.1° |
C14 | C12 | C11 | 118.6° | 120.0° |
C12 | C14 | H24 | 119.7° | 119.9° |
C22 | C21 | C20 | 111.6° | 109.5° |
C22 | C21 | H32 | 108.9° | 109.5° |
C22 | C21 | H33 | 108.9° | 109.5° |
C21 | C22 | H34 | 108.6° | 109.5° |
C21 | C22 | H35 | 108.6° | 109.5° |
C16 | C10 | C11 | 118.6° | 120.0° |
C16 | C10 | C9 | 121.5° | 120.0° |
C10 | C16 | H26 | 119.7° | 120.0° |
C32 | C33 | C25 | 120.6° | 120.0° |
C33 | C32 | C31 | 120.1° | 120.0° |
C33 | C32 | H44 | 119.9° | 120.0° |
C32 | C33 | H45 | 119.7° | 120.0° |
C33 | C25 | C24 | 120.8° | 120.2° |
C33 | C25 | C26 | 118.6° | 120.0° |
C25 | C33 | H45 | 119.7° | 120.0° |
C32 | C31 | C27 | 120.3° | 120.0° |
C32 | C31 | H43 | 119.9° | 120.0° |
C31 | C32 | H44 | 119.9° | 120.0° |
C25 | C24 | C23 | 113.4° | 109.4° |
C24 | C25 | C26 | 120.6° | 119.8° |
C25 | C24 | H36 | 108.5° | 109.5° |
C25 | C24 | H37 | 108.5° | 109.5° |
C24 | C23 | N7 | 115.4° | 119.1° |
C24 | C23 | O2 | 122.1° | 120.4° |
C23 | C24 | H36 | 108.5° | 109.5° |
C23 | C24 | H37 | 108.5° | 109.4° |
C25 | C26 | C27 | 121.5° | 120.0° |
C25 | C26 | H38 | 119.2° | 120.0° |
C13 | C12 | C11 | 119.6° | 120.0° |
C12 | C13 | N4 | 114.0° | 109.5° |
C12 | C13 | H22 | 108.3° | 109.5° |
C12 | C13 | H23 | 108.4° | 109.5° |
C12 | C11 | C10 | 121.5° | 120.0° |
C12 | C11 | H21 | 119.3° | 119.9° |
C31 | C27 | C26 | 118.8° | 120.0° |
C31 | C27 | C28 | 121.1° | 120.0° |
C27 | C31 | H43 | 119.8° | 120.0° |
C13 | N4 | H17 | 109.5° | 111.1° |
C13 | N4 | H18 | 109.5° | 111.0° |
N4 | C13 | H22 | 108.3° | 109.4° |
N4 | C13 | H23 | 108.3° | 109.4° |
C26 | C27 | C28 | 120.1° | 120.0° |
C27 | C26 | H38 | 119.2° | 120.0° |
C21 | C20 | C19 | 112.5° | 109.5° |
C21 | C20 | H30 | 108.7° | 109.5° |
C21 | C20 | H31 | 108.7° | 109.5° |
C20 | C21 | H32 | 108.9° | 109.5° |
C20 | C21 | H33 | 108.9° | 109.4° |
C27 | C28 | N8 | 111.5° | 108.9° |
C27 | C28 | H39 | 108.9° | 109.5° |
C27 | C28 | H40 | 108.9° | 109.5° |
C11 | C10 | C9 | 119.8° | 120.0° |
C10 | C11 | H21 | 119.2° | 120.1° |
C10 | C9 | C8 | 112.4° | 109.5° |
C10 | C9 | H5 | 108.7° | 109.4° |
C10 | C9 | H6 | 108.7° | 109.5° |
C28 | N8 | C29 | 123.2° | 116.3° |
N8 | C28 | H39 | 109.0° | 109.6° |
N8 | C28 | H40 | 109.0° | 109.6° |
C28 | N8 | H51 | 118.4° | 121.8° |
C20 | C19 | C18 | 114.1° | 109.5° |
C20 | C19 | H28 | 108.3° | 109.4° |
C20 | C19 | H29 | 108.3° | 109.5° |
C19 | C20 | H30 | 108.7° | 109.4° |
C19 | C20 | H31 | 108.7° | 109.4° |
C23 | N7 | C18 | 120.5° | 115.2° |
N7 | C23 | O2 | 122.5° | 120.5° |
C23 | N7 | H50 | 119.8° | 122.4° |
N7 | C18 | C19 | 111.9° | 109.6° |
N7 | C18 | C17 | 114.8° | 108.9° |
N7 | C18 | H27 | 106.6° | 109.6° |
C18 | N7 | H50 | 119.7° | 122.4° |
O1 | C29 | N8 | 123.0° | 120.3° |
O1 | C29 | C30 | 121.3° | 120.4° |
C9 | C8 | N5 | 109.8° | 109.4° |
C9 | C8 | C7 | 111.1° | 109.5° |
C9 | C8 | H3 | 108.3° | 109.5° |
C8 | C9 | H5 | 108.8° | 109.5° |
C8 | C9 | H6 | 108.8° | 109.5° |
C19 | C18 | C17 | 111.3° | 109.6° |
C19 | C18 | H27 | 105.8° | 109.6° |
C18 | C19 | H28 | 108.3° | 109.5° |
C18 | C19 | H29 | 108.3° | 109.5° |
N8 | C29 | C30 | 115.7° | 119.3° |
C29 | N8 | H51 | 118.4° | 121.8° |
C29 | C30 | N9 | 112.5° | 109.1° |
C29 | C30 | H41 | 108.7° | 109.5° |
C29 | C30 | H42 | 108.7° | 109.6° |
C18 | C17 | N5 | 115.9° | 119.0° |
C18 | C17 | O3 | 120.4° | 120.6° |
C17 | C18 | H27 | 105.8° | 109.6° |
C8 | N5 | C17 | 123.5° | 116.4° |
N5 | C8 | C7 | 109.7° | 109.5° |
N5 | C8 | H3 | 109.4° | 109.5° |
C8 | N5 | H46 | 118.3° | 121.8° |
N5 | C17 | O3 | 123.7° | 120.5° |
C17 | N5 | H46 | 118.3° | 121.7° |
C8 | C7 | O4 | 121.2° | 120.5° |
C8 | C7 | N3 | 116.2° | 119.1° |
C7 | C8 | H3 | 108.5° | 109.4° |
O | C | N9 | 122.0° | 120.5° |
O | C | C1 | 120.8° | 120.4° |
O4 | C7 | N3 | 122.6° | 120.5° |
C30 | N9 | C | 120.4° | 115.0° |
N9 | C30 | H41 | 108.7° | 109.5° |
N9 | C30 | H42 | 108.7° | 109.5° |
C30 | N9 | H52 | 119.8° | 122.5° |
N2 | C2 | N | 124.3° | 120.0° |
N2 | C2 | N1 | 117.7° | 120.0° |
C2 | N2 | H4 | 112.0° | 119.9° |
C7 | N3 | C6 | 122.4° | 116.8° |
C7 | N3 | H12 | 118.8° | 121.6° |
N9 | C | C1 | 117.2° | 119.1° |
C | N9 | H52 | 119.8° | 122.5° |
C | C1 | N | 113.4° | 109.4° |
C | C1 | C3 | 110.6° | 109.6° |
C | C1 | H7 | 107.4° | 109.5° |
N | C1 | C3 | 109.4° | 109.4° |
C1 | N | C2 | 124.6° | 120.0° |
N | C1 | H7 | 108.4° | 109.5° |
C1 | N | H20 | 117.7° | 120.0° |
C1 | C3 | C4 | 113.9° | 109.3° |
C3 | C1 | H7 | 107.4° | 109.5° |
C1 | C3 | H15 | 108.4° | 109.5° |
C1 | C3 | H16 | 108.4° | 109.5° |
N | C2 | N1 | 117.9° | 120.0° |
C2 | N | H20 | 117.6° | 120.0° |
C2 | N1 | H1 | 120.0° | 120.0° |
C2 | N1 | H2 | 120.0° | 120.0° |
N3 | C6 | C5 | 112.1° | 109.3° |
N3 | C6 | H10 | 108.8° | 109.5° |
N3 | C6 | H11 | 108.8° | 109.5° |
C6 | N3 | H12 | 118.8° | 121.6° |
C3 | C4 | C5 | 111.8° | 109.7° |
C3 | C4 | H13 | 108.9° | 109.4° |
C3 | C4 | H14 | 108.9° | 109.5° |
C4 | C3 | H15 | 108.4° | 109.5° |
C4 | C3 | H16 | 108.4° | 109.5° |
C4 | C5 | C6 | 113.3° | 109.2° |
C4 | C5 | H8 | 108.5° | 109.5° |
C4 | C5 | H9 | 108.5° | 109.6° |
C5 | C4 | H13 | 108.9° | 109.4° |
C5 | C4 | H14 | 108.9° | 109.4° |
C6 | C5 | H8 | 108.5° | 109.5° |
C6 | C5 | H9 | 108.5° | 109.5° |
C5 | C6 | H10 | 108.8° | 109.5° |
C5 | C6 | H11 | 108.8° | 109.5° |
H1 | N1 | H2 | 120.0° | 120.1° |
H5 | C9 | H6 | 109.5° | 109.4° |
H8 | C5 | H9 | 109.4° | 109.6° |
H10 | C6 | H11 | 109.5° | 109.5° |
H13 | C4 | H14 | 109.4° | 109.4° |
H15 | C3 | H16 | 109.5° | 109.6° |
H17 | N4 | H18 | 109.5° | 111.0° |
H22 | C13 | H23 | 109.5° | 109.5° |
H28 | C19 | H29 | 109.4° | 109.4° |
H30 | C20 | H31 | 109.5° | 109.5° |
H32 | C21 | H33 | 109.5° | 109.4° |
H34 | C22 | H35 | 109.5° | 109.5° |
H36 | C24 | H37 | 109.4° | 109.5° |
H39 | C28 | H40 | 109.5° | 109.6° |
H41 | C30 | H42 | 109.5° | 109.6° |
H47 | N6 | H48 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C22 | C21 | H34 | 120.5° | 120.0° |
N6 | C22 | C21 | H35 | 120.5° | 119.9° |
N6 | C22 | C21 | C20 | 72.5° | 180.0° |
N6 | C22 | C21 | H32 | 47.8° | 60.0° |
N6 | C22 | C21 | H33 | 167.1° | 60.0° |
N6 | C22 | H34 | H35 | 118.4° | 119.9° |
C22 | N6 | H47 | H48 | 120.0° | 123.9° |
C14 | C15 | C16 | H25 | 180.0° | 179.8° |
C15 | C14 | C12 | H24 | 180.0° | 179.9° |
C14 | C15 | C16 | C10 | 0.3° | 0.5° |
C15 | C14 | C12 | C13 | 173.0° | 180.0° |
C15 | C14 | C12 | C11 | 1.2° | 0.0° |
C14 | C15 | C16 | H26 | 179.7° | 180.0° |
C16 | C15 | C14 | C12 | 0.3° | 0.2° |
C15 | C16 | C10 | H26 | 180.0° | 179.6° |
C15 | C16 | C10 | C11 | 1.2° | 0.5° |
C15 | C16 | C10 | C9 | 176.3° | 179.7° |
C16 | C15 | C14 | H24 | 179.7° | 179.7° |
C14 | C12 | C13 | C11 | 174.1° | 180.0° |
C14 | C12 | C13 | N4 | 63.8° | 90.0° |
C14 | C12 | C11 | C10 | 2.6° | 0.0° |
C14 | C12 | C11 | H21 | 177.4° | 180.0° |
C14 | C12 | C13 | H22 | 56.9° | 150.0° |
C14 | C12 | C13 | H23 | 175.6° | 30.0° |
C12 | C14 | C15 | H25 | 179.7° | 180.0° |
C22 | C21 | C20 | H32 | 120.3° | 120.0° |
C22 | C21 | C20 | H33 | 120.3° | 120.0° |
C22 | C21 | C20 | C19 | 173.6° | 180.0° |
C22 | C21 | C20 | H30 | 66.0° | 60.0° |
C22 | C21 | C20 | H31 | 53.1° | 60.0° |
C22 | C21 | H32 | H33 | 119.0° | 120.0° |
C21 | C22 | H34 | H35 | 118.4° | 120.1° |
C21 | C22 | N6 | H47 | 180.0° | 56.0° |
C21 | C22 | N6 | H48 | 60.0° | 180.0° |
C16 | C10 | C11 | C12 | 2.6° | 0.3° |
C16 | C10 | C11 | C9 | 177.5° | 179.8° |
C16 | C10 | C9 | C8 | 97.9° | 90.2° |
C16 | C10 | C9 | H5 | 141.6° | 149.8° |
C16 | C10 | C9 | H6 | 22.5° | 29.8° |
C16 | C10 | C11 | H21 | 177.4° | 179.8° |
C10 | C16 | C15 | H25 | 179.7° | 179.7° |
C32 | C33 | C25 | H45 | 180.0° | 180.0° |
C33 | C32 | C31 | H44 | 180.0° | 180.0° |
C32 | C33 | C25 | C24 | 179.6° | 179.8° |
C32 | C33 | C25 | C26 | 0.6° | 0.3° |
C33 | C32 | C31 | C27 | 0.2° | 0.2° |
C33 | C32 | C31 | H43 | 179.8° | 179.8° |
C25 | C33 | C32 | C31 | 0.5° | 0.4° |
C33 | C25 | C24 | C26 | 179.0° | 179.9° |
C33 | C25 | C24 | C23 | 86.7° | 83.4° |
C33 | C25 | C26 | C27 | 0.1° | 0.1° |
C33 | C25 | C24 | H36 | 33.9° | 36.6° |
C33 | C25 | C24 | H37 | 152.7° | 156.6° |
C33 | C25 | C26 | H38 | 179.9° | 179.8° |
C25 | C33 | C32 | H44 | 179.5° | 179.6° |
C32 | C31 | C27 | H43 | 180.0° | 180.0° |
C32 | C31 | C27 | C26 | 0.7° | 0.0° |
C32 | C31 | C27 | C28 | 179.2° | 179.9° |
C31 | C32 | C33 | H45 | 179.5° | 179.6° |
C25 | C24 | C23 | H36 | 120.6° | 120.0° |
C25 | C24 | C23 | H37 | 120.6° | 120.0° |
C24 | C25 | C26 | C27 | 179.1° | 180.0° |
C25 | C24 | C23 | N7 | 165.7° | 148.9° |
C25 | C24 | C23 | O2 | 13.0° | 31.0° |
C25 | C24 | H36 | H37 | 118.2° | 120.1° |
C24 | C25 | C26 | H38 | 0.9° | 0.0° |
C24 | C25 | C33 | H45 | 0.4° | 0.2° |
C23 | C24 | C25 | C26 | 92.3° | 96.5° |
C24 | C23 | N7 | O2 | 178.6° | 180.0° |
C24 | C23 | N7 | C18 | 172.5° | 179.6° |
C23 | C24 | H36 | H37 | 118.2° | 119.9° |
C24 | C23 | N7 | H50 | 7.5° | 0.6° |
C25 | C26 | C27 | C31 | 0.6° | 0.0° |
C25 | C26 | C27 | H38 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 179.3° | 179.9° |
C26 | C25 | C24 | H36 | 147.1° | 143.5° |
C26 | C25 | C24 | H37 | 28.3° | 23.5° |
C26 | C25 | C33 | H45 | 179.4° | 179.7° |
C12 | C13 | N4 | H22 | 120.6° | 120.1° |
C12 | C13 | N4 | H23 | 120.7° | 120.0° |
C13 | C12 | C11 | C10 | 171.6° | 180.0° |
C12 | C13 | N4 | H17 | 180.0° | 180.0° |
C12 | C13 | N4 | H18 | 60.0° | 56.0° |
C13 | C12 | C11 | H21 | 8.4° | 0.0° |
C12 | C13 | H22 | H23 | 118.0° | 120.0° |
C13 | C12 | C14 | H24 | 7.0° | 0.1° |
C11 | C12 | C13 | N4 | 122.1° | 90.0° |
C12 | C11 | C10 | H21 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 174.9° | 180.0° |
C11 | C12 | C13 | H22 | 117.2° | 30.0° |
C11 | C12 | C13 | H23 | 1.4° | 150.0° |
C11 | C12 | C14 | H24 | 178.9° | 179.9° |
C31 | C27 | C26 | C28 | 179.9° | 179.9° |
C31 | C27 | C28 | N8 | 122.0° | 99.2° |
C31 | C27 | C26 | H38 | 179.4° | 180.0° |
C31 | C27 | C28 | H39 | 117.7° | 20.6° |
C31 | C27 | C28 | H40 | 1.6° | 140.9° |
C27 | C31 | C32 | H44 | 179.8° | 179.8° |
C13 | N4 | H17 | H18 | 120.0° | 124.0° |
N4 | C13 | H22 | H23 | 118.0° | 119.9° |
C26 | C27 | C28 | N8 | 57.9° | 80.9° |
C26 | C27 | C28 | H39 | 62.3° | 159.3° |
C26 | C27 | C28 | H40 | 178.3° | 39.0° |
C26 | C27 | C31 | H43 | 179.3° | 180.0° |
C21 | C20 | C19 | H30 | 120.5° | 120.1° |
C21 | C20 | C19 | H31 | 120.5° | 120.0° |
C21 | C20 | C19 | C18 | 159.2° | 174.9° |
C21 | C20 | C19 | H28 | 38.4° | 65.1° |
C21 | C20 | C19 | H29 | 80.2° | 54.8° |
C21 | C20 | H30 | H31 | 118.7° | 120.0° |
C20 | C21 | H32 | H33 | 119.0° | 119.9° |
C20 | C21 | C22 | H34 | 167.0° | 60.0° |
C20 | C21 | C22 | H35 | 48.0° | 60.1° |
C27 | C28 | N8 | H39 | 120.3° | 119.8° |
C27 | C28 | N8 | H40 | 120.3° | 119.8° |
C27 | C28 | N8 | C29 | 120.0° | 151.1° |
C28 | C27 | C26 | H38 | 0.7° | 0.1° |
C27 | C28 | H39 | H40 | 119.0° | 120.2° |
C28 | C27 | C31 | H43 | 0.8° | 0.1° |
C27 | C28 | N8 | H51 | 60.0° | 28.8° |
C11 | C10 | C9 | C8 | 84.6° | 90.0° |
C11 | C10 | C9 | H5 | 35.8° | 30.0° |
C11 | C10 | C9 | H6 | 154.9° | 150.0° |
C11 | C10 | C16 | H26 | 178.9° | 180.0° |
C10 | C9 | C8 | H5 | 120.4° | 120.0° |
C10 | C9 | C8 | H6 | 120.4° | 120.0° |
C10 | C9 | C8 | N5 | 63.0° | 64.9° |
C10 | C9 | C8 | C7 | 175.5° | 175.0° |
C10 | C9 | C8 | H3 | 56.4° | 55.0° |
C10 | C9 | H5 | H6 | 118.6° | 120.0° |
C9 | C10 | C11 | H21 | 5.1° | 0.0° |
C9 | C10 | C16 | H26 | 3.6° | 0.2° |
C28 | N8 | C29 | O1 | 4.9° | 3.5° |
C28 | N8 | C29 | H51 | 180.0° | 179.9° |
C28 | N8 | C29 | C30 | 176.9° | 176.4° |
N8 | C28 | H39 | H40 | 119.1° | 120.4° |
C20 | C19 | C18 | N7 | 69.2° | 52.1° |
C20 | C19 | C18 | H28 | 120.7° | 120.0° |
C20 | C19 | C18 | H29 | 120.7° | 120.0° |
C20 | C19 | C18 | C17 | 60.7° | 67.3° |
C20 | C19 | C18 | H27 | 175.1° | 172.3° |
C20 | C19 | H28 | H29 | 117.8° | 119.9° |
C19 | C20 | H30 | H31 | 118.6° | 119.9° |
C19 | C20 | C21 | H32 | 53.3° | 60.0° |
C19 | C20 | C21 | H33 | 66.1° | 60.0° |
C23 | N7 | C18 | H50 | 180.0° | 179.9° |
C23 | N7 | C18 | C19 | 118.4° | 28.4° |
C23 | N7 | C18 | C17 | 113.5° | 148.3° |
C23 | N7 | C18 | H27 | 3.2° | 91.9° |
N7 | C23 | C24 | H36 | 45.0° | 91.0° |
N7 | C23 | C24 | H37 | 73.8° | 28.9° |
C18 | N7 | C23 | O2 | 6.1° | 0.4° |
N7 | C18 | C19 | C17 | 129.9° | 119.4° |
N7 | C18 | C19 | H27 | 115.7° | 120.3° |
N7 | C18 | C17 | H27 | 117.2° | 119.8° |
N7 | C18 | C17 | N5 | 12.8° | 145.3° |
N7 | C18 | C17 | O3 | 168.5° | 34.7° |
N7 | C18 | C19 | H28 | 51.5° | 172.1° |
N7 | C18 | C19 | H29 | 170.2° | 68.0° |
O2 | C23 | C24 | H36 | 133.6° | 89.0° |
O2 | C23 | C24 | H37 | 107.6° | 151.0° |
O2 | C23 | N7 | H50 | 173.9° | 179.5° |
O1 | C29 | N8 | C30 | 178.2° | 179.9° |
O1 | C29 | C30 | N9 | 150.2° | 47.3° |
O1 | C29 | C30 | H41 | 29.8° | 167.2° |
O1 | C29 | C30 | H42 | 89.3° | 72.6° |
O1 | C29 | N8 | H51 | 175.1° | 176.4° |
C9 | C8 | N5 | C7 | 122.4° | 120.0° |
C9 | C8 | N5 | H3 | 118.7° | 120.0° |
C9 | C8 | N5 | C17 | 125.9° | 132.7° |
C9 | C8 | C7 | H3 | 118.9° | 120.0° |
C9 | C8 | C7 | O4 | 41.1° | 173.9° |
C9 | C8 | C7 | N3 | 140.3° | 6.4° |
C8 | C9 | H5 | H6 | 118.7° | 120.0° |
C9 | C8 | N5 | H46 | 54.1° | 47.3° |
C19 | C18 | C17 | H27 | 114.5° | 120.3° |
C19 | C18 | C17 | N5 | 141.1° | 25.4° |
C19 | C18 | C17 | O3 | 40.1° | 154.6° |
C18 | C19 | H28 | H29 | 117.9° | 120.0° |
C18 | C19 | C20 | H30 | 80.4° | 54.8° |
C18 | C19 | C20 | H31 | 38.7° | 65.1° |
C19 | C18 | N7 | H50 | 61.6° | 151.7° |
N8 | C29 | C30 | N9 | 31.6° | 132.8° |
C29 | N8 | C28 | H39 | 0.3° | 89.1° |
C29 | N8 | C28 | H40 | 119.7° | 31.3° |
N8 | C29 | C30 | H41 | 152.0° | 12.9° |
N8 | C29 | C30 | H42 | 88.9° | 107.3° |
C29 | C30 | N9 | H41 | 120.5° | 119.8° |
C29 | C30 | N9 | H42 | 120.4° | 119.9° |
C29 | C30 | N9 | C | 66.0° | 158.7° |
C29 | C30 | H41 | H42 | 118.6° | 120.2° |
C30 | C29 | N8 | H51 | 3.1° | 3.7° |
C29 | C30 | N9 | H52 | 114.0° | 21.3° |
C18 | C17 | N5 | C8 | 175.7° | 177.3° |
C18 | C17 | N5 | O3 | 178.7° | 180.0° |
C17 | C18 | C19 | H28 | 178.6° | 52.7° |
C17 | C18 | C19 | H29 | 59.9° | 172.6° |
C18 | C17 | N5 | H46 | 4.4° | 2.7° |
C17 | C18 | N7 | H50 | 66.5° | 31.9° |
C8 | N5 | C17 | H46 | 180.0° | 180.0° |
N5 | C8 | C7 | H3 | 119.4° | 120.0° |
C8 | N5 | C17 | O3 | 5.6° | 2.7° |
N5 | C8 | C7 | O4 | 80.6° | 66.1° |
N5 | C8 | C7 | N3 | 98.0° | 113.6° |
N5 | C8 | C9 | H5 | 176.6° | 55.1° |
N5 | C8 | C9 | H6 | 57.4° | 175.0° |
C17 | N5 | C8 | C7 | 111.7° | 107.2° |
C17 | N5 | C8 | H3 | 7.2° | 12.8° |
N5 | C17 | C18 | H27 | 104.4° | 94.9° |
C8 | C7 | O4 | N3 | 178.5° | 179.7° |
C8 | C7 | N3 | C6 | 172.5° | 174.9° |
C7 | C8 | C9 | H5 | 55.0° | 65.0° |
C7 | C8 | C9 | H6 | 64.1° | 55.0° |
C8 | C7 | N3 | H12 | 7.5° | 5.1° |
C7 | C8 | N5 | H46 | 68.3° | 72.7° |
O3 | C17 | C18 | H27 | 74.3° | 85.1° |
O3 | C17 | N5 | H46 | 174.3° | 177.3° |
O | C | N9 | C30 | 4.4° | 0.1° |
O | C | N9 | C1 | 178.8° | 179.9° |
O | C | C1 | N | 145.2° | 92.0° |
O | C | C1 | C3 | 91.4° | 28.0° |
O | C | C1 | H7 | 25.5° | 148.1° |
O | C | N9 | H52 | 175.6° | 180.0° |
O4 | C7 | N3 | C6 | 6.1° | 5.5° |
O4 | C7 | C8 | H3 | 160.0° | 53.9° |
O4 | C7 | N3 | H12 | 174.0° | 174.6° |
C30 | N9 | C | H52 | 180.0° | 180.0° |
C30 | N9 | C | C1 | 174.5° | 179.8° |
N9 | C30 | H41 | H42 | 118.6° | 120.2° |
N2 | C2 | N | C1 | 4.9° | 0.0° |
N2 | C2 | N | N1 | 179.1° | 180.0° |
N2 | C2 | N1 | H1 | 179.1° | 0.0° |
N2 | C2 | N1 | H2 | 0.8° | 179.7° |
N2 | C2 | N | H20 | 175.1° | 180.0° |
C7 | N3 | C6 | H12 | 180.0° | 179.9° |
C7 | N3 | C6 | C5 | 94.8° | 52.9° |
N3 | C7 | C8 | H3 | 21.4° | 126.4° |
C7 | N3 | C6 | H10 | 144.8° | 172.8° |
C7 | N3 | C6 | H11 | 25.6° | 67.1° |
N9 | C | C1 | N | 35.9° | 88.1° |
N9 | C | C1 | C3 | 87.4° | 151.9° |
N9 | C | C1 | H7 | 155.6° | 31.8° |
C | N9 | C30 | H41 | 54.5° | 38.8° |
C | N9 | C30 | H42 | 173.6° | 81.4° |
C | C1 | N | C3 | 124.0° | 120.1° |
C | C1 | N | H7 | 119.1° | 119.9° |
C | C1 | C3 | H7 | 116.9° | 120.1° |
C | C1 | N | C2 | 71.6° | 85.0° |
C | C1 | C3 | C4 | 58.7° | 119.7° |
C | C1 | C3 | H15 | 61.9° | 0.3° |
C | C1 | C3 | H16 | 179.4° | 120.4° |
C | C1 | N | H20 | 108.4° | 95.1° |
C1 | C | N9 | H52 | 5.6° | 0.2° |
N | C1 | C3 | H7 | 117.4° | 120.0° |
C1 | N | C2 | H20 | 180.0° | 180.0° |
C1 | N | C2 | N1 | 176.0° | 180.0° |
N | C1 | C3 | C4 | 175.6° | 120.4° |
N | C1 | C3 | H15 | 63.7° | 119.7° |
N | C1 | C3 | H16 | 55.0° | 0.4° |
C3 | C1 | N | C2 | 164.4° | 155.0° |
C1 | C3 | C4 | H15 | 120.6° | 119.9° |
C1 | C3 | C4 | H16 | 120.7° | 119.9° |
C1 | C3 | C4 | C5 | 172.5° | 121.6° |
C1 | C3 | C4 | H13 | 52.1° | 1.5° |
C1 | C3 | C4 | H14 | 67.1° | 118.3° |
C1 | C3 | H15 | H16 | 118.0° | 120.1° |
C3 | C1 | N | H20 | 15.6° | 25.0° |
N | C2 | N1 | H1 | 0.0° | 180.0° |
N | C2 | N1 | H2 | 180.0° | 0.3° |
N | C2 | N2 | H4 | 179.0° | 180.0° |
C2 | N | C1 | H7 | 47.5° | 35.0° |
C2 | N1 | H1 | H2 | 179.9° | 179.7° |
N1 | C2 | N2 | H4 | 0.0° | 0.0° |
N1 | C2 | N | H20 | 4.0° | 0.0° |
N3 | C6 | C5 | C4 | 57.0° | 152.9° |
N3 | C6 | C5 | H10 | 120.4° | 119.9° |
N3 | C6 | C5 | H11 | 120.4° | 120.0° |
N3 | C6 | C5 | H8 | 177.6° | 87.2° |
N3 | C6 | C5 | H9 | 63.6° | 33.0° |
N3 | C6 | H10 | H11 | 118.8° | 120.1° |
C3 | C4 | C5 | H13 | 120.4° | 120.0° |
C3 | C4 | C5 | H14 | 120.4° | 120.1° |
C3 | C4 | C5 | C6 | 177.0° | 138.6° |
C4 | C3 | C1 | H7 | 58.2° | 0.4° |
C3 | C4 | C5 | H8 | 62.4° | 18.7° |
C3 | C4 | C5 | H9 | 56.4° | 101.5° |
C3 | C4 | H13 | H14 | 118.9° | 119.9° |
C4 | C3 | H15 | H16 | 118.0° | 120.1° |
C4 | C5 | C6 | H8 | 120.6° | 119.9° |
C4 | C5 | C6 | H9 | 120.6° | 119.9° |
C4 | C5 | H8 | H9 | 118.2° | 120.2° |
C4 | C5 | C6 | H10 | 177.4° | 87.1° |
C4 | C5 | C6 | H11 | 63.4° | 32.9° |
C5 | C4 | H13 | H14 | 118.9° | 119.9° |
C5 | C4 | C3 | H15 | 66.9° | 1.7° |
C5 | C4 | C3 | H16 | 51.8° | 118.5° |
C6 | C5 | H8 | H9 | 118.3° | 120.1° |
C5 | C6 | H10 | H11 | 118.7° | 120.1° |
C5 | C6 | N3 | H12 | 85.2° | 127.2° |
C6 | C5 | C4 | H13 | 56.7° | 101.3° |
C6 | C5 | C4 | H14 | 62.6° | 18.5° |
H3 | C8 | C9 | H5 | 64.0° | 175.0° |
H3 | C8 | C9 | H6 | 176.9° | 65.0° |
H3 | C8 | N5 | H46 | 172.8° | 167.3° |
H7 | C1 | C3 | H15 | 178.8° | 120.3° |
H7 | C1 | C3 | H16 | 62.5° | 119.5° |
H7 | C1 | N | H20 | 132.4° | 145.0° |
H8 | C5 | C6 | H10 | 62.0° | 32.8° |
H8 | C5 | C6 | H11 | 57.2° | 152.8° |
H8 | C5 | C4 | H13 | 177.3° | 138.8° |
H8 | C5 | C4 | H14 | 58.0° | 101.4° |
H9 | C5 | C6 | H10 | 56.9° | 152.9° |
H9 | C5 | C6 | H11 | 176.0° | 87.0° |
H9 | C5 | C4 | H13 | 63.9° | 18.6° |
H9 | C5 | C4 | H14 | 176.8° | 138.4° |
H10 | C6 | N3 | H12 | 35.2° | 7.2° |
H11 | C6 | N3 | H12 | 154.4° | 112.8° |
H13 | C4 | C3 | H15 | 172.8° | 118.4° |
H13 | C4 | C3 | H16 | 68.5° | 121.5° |
H14 | C4 | C3 | H15 | 53.5° | 121.8° |
H14 | C4 | C3 | H16 | 172.2° | 1.7° |
H17 | N4 | C13 | H22 | 59.4° | 60.0° |
H17 | N4 | C13 | H23 | 59.3° | 60.0° |
H18 | N4 | C13 | H22 | 179.4° | 64.0° |
H18 | N4 | C13 | H23 | 60.7° | 176.0° |
H24 | C14 | C15 | H25 | 0.3° | 0.1° |
H25 | C15 | C16 | H26 | 0.3° | 0.2° |
H27 | C18 | C19 | H28 | 64.1° | 67.7° |
H27 | C18 | C19 | H29 | 54.5° | 52.3° |
H27 | C18 | N7 | H50 | 176.8° | 88.0° |
H28 | C19 | C20 | H30 | 158.9° | 174.9° |
H28 | C19 | C20 | H31 | 82.0° | 54.9° |
H29 | C19 | C20 | H30 | 40.3° | 65.2° |
H29 | C19 | C20 | H31 | 159.4° | 174.8° |
H30 | C20 | C21 | H32 | 173.7° | 180.0° |
H30 | C20 | C21 | H33 | 54.4° | 60.0° |
H31 | C20 | C21 | H32 | 67.2° | 60.0° |
H31 | C20 | C21 | H33 | 173.5° | 180.0° |
H32 | C21 | C22 | H34 | 72.7° | 180.0° |
H32 | C21 | C22 | H35 | 168.3° | 60.0° |
H33 | C21 | C22 | H34 | 46.6° | 60.0° |
H33 | C21 | C22 | H35 | 72.3° | 179.9° |
H34 | C22 | N6 | H47 | 59.5° | 64.0° |
H34 | C22 | N6 | H48 | 60.5° | 59.9° |
H35 | C22 | N6 | H47 | 59.5° | 176.0° |
H35 | C22 | N6 | H48 | 179.5° | 60.0° |
H39 | C28 | N8 | H51 | 179.7° | 91.0° |
H40 | C28 | N8 | H51 | 60.3° | 148.6° |
H41 | C30 | N9 | H52 | 125.6° | 141.1° |
H42 | C30 | N9 | H52 | 6.4° | 98.6° |
H43 | C31 | C32 | H44 | 0.2° | 0.2° |
H44 | C32 | C33 | H45 | 0.5° | 0.4° |