GQH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N53 | N52 | doub | 1.12Å | 1.09Å | |
N52 | N51 | doub | 1.12Å | 0.94Å | |
N51 | C6 | sing | 1.47Å | 1.48Å | |
C57 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
C57 | C58 | sing | 1.38Å | 1.40Å | Aromatic |
C56 | C55 | sing | 1.38Å | 1.41Å | Aromatic |
C43 | C41 | sing | 1.53Å | 1.55Å | |
C6 | C7 | sing | 1.51Å | 1.52Å | |
C6 | C54 | sing | 1.53Å | 1.56Å | |
C42 | C41 | sing | 1.53Å | 1.54Å | |
C41 | C40 | sing | 1.53Å | 1.54Å | |
C58 | C59 | doub | 1.38Å | 1.40Å | Aromatic |
C7 | N8 | sing | 1.35Å | 1.33Å | |
C7 | O44 | doub | 1.21Å | 1.24Å | |
C55 | C54 | sing | 1.51Å | 1.42Å | |
C55 | C60 | doub | 1.38Å | 1.41Å | Aromatic |
N8 | C9 | sing | 1.46Å | 1.46Å | |
C59 | C60 | sing | 1.38Å | 1.41Å | Aromatic |
C40 | C9 | sing | 1.53Å | 1.53Å | |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C10 | O39 | doub | 1.21Å | 1.24Å | |
C10 | N11 | sing | 1.35Å | 1.34Å | |
N11 | C12 | sing | 1.47Å | 1.46Å | |
C12 | C32 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.51Å | 1.53Å | |
O31 | C13 | doub | 1.21Å | 1.24Å | |
C13 | N14 | sing | 1.35Å | 1.33Å | |
C21 | N22 | sing | 1.47Å | 1.34Å | |
C21 | C20 | sing | 1.51Å | 1.39Å | |
C23 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C24 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
N14 | C15 | sing | 1.46Å | 1.47Å | |
C15 | C25 | sing | 1.53Å | 1.55Å | |
C15 | C16 | sing | 1.53Å | 1.57Å | |
C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.51Å | 1.40Å | |
C28 | S27 | sing | 1.81Å | 1.79Å | |
C25 | C26 | sing | 1.53Å | 1.55Å | |
C26 | S27 | sing | 1.81Å | 1.83Å | |
O29 | S27 | doub | 1.42Å | 1.53Å | |
S27 | O30 | doub | 1.42Å | 1.53Å | |
C6 | H1 | sing | 1.09Å | 1.10Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C21 | H3 | sing | 1.09Å | 1.10Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C24 | H5 | sing | 1.08Å | 1.08Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C26 | H7 | sing | 1.09Å | 1.10Å | |
C28 | H8 | sing | 1.09Å | 1.10Å | |
C28 | H9 | sing | 1.09Å | 1.10Å | |
C28 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.08Å | 1.08Å | |
N22 | H13 | sing | 1.01Å | 1.00Å | |
N22 | H14 | sing | 1.01Å | 1.00Å | |
C23 | H16 | sing | 1.08Å | 1.08Å | |
C16 | H17 | sing | 1.09Å | 1.10Å | |
C16 | H18 | sing | 1.09Å | 1.10Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C25 | H20 | sing | 1.09Å | 1.10Å | |
N14 | H21 | sing | 0.97Å | 1.00Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C32 | H23 | sing | 1.09Å | 1.10Å | |
C32 | H24 | sing | 1.09Å | 1.10Å | |
C32 | H25 | sing | 1.09Å | 1.10Å | |
N11 | H26 | sing | 0.97Å | 1.00Å | |
C9 | H27 | sing | 1.09Å | 1.10Å | |
C40 | H28 | sing | 1.09Å | 1.10Å | |
C40 | H29 | sing | 1.09Å | 1.10Å | |
C41 | H30 | sing | 1.09Å | 1.10Å | |
C42 | H31 | sing | 1.09Å | 1.10Å | |
C42 | H32 | sing | 1.09Å | 1.10Å | |
C42 | H33 | sing | 1.09Å | 1.10Å | |
C43 | H34 | sing | 1.09Å | 1.10Å | |
C43 | H35 | sing | 1.09Å | 1.10Å | |
C43 | H36 | sing | 1.09Å | 1.10Å | |
N8 | H37 | sing | 0.97Å | 1.00Å | |
C54 | H39 | sing | 1.09Å | 1.10Å | |
C54 | H40 | sing | 1.09Å | 1.10Å | |
C60 | H41 | sing | 1.08Å | 1.08Å | |
C59 | H42 | sing | 1.08Å | 1.08Å | |
C58 | H43 | sing | 1.08Å | 1.08Å | |
C57 | H44 | sing | 1.08Å | 1.08Å | |
C56 | H45 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N53 | N52 | N51 | 179.1° | 179.9° |
N52 | N51 | C6 | 125.1° | 119.9° |
N51 | C6 | C7 | 95.7° | 109.4° |
N51 | C6 | C54 | 118.7° | 109.5° |
N51 | C6 | H1 | 113.0° | 109.4° |
C56 | C57 | C58 | 120.8° | 120.1° |
C57 | C56 | C55 | 121.5° | 119.9° |
C56 | C57 | H44 | 119.6° | 119.9° |
C57 | C56 | H45 | 119.2° | 120.0° |
C57 | C58 | C59 | 118.7° | 120.0° |
C57 | C58 | H43 | 120.7° | 120.1° |
C58 | C57 | H44 | 119.6° | 120.0° |
C56 | C55 | C54 | 124.8° | 119.9° |
C56 | C55 | C60 | 116.8° | 120.0° |
C55 | C56 | H45 | 119.2° | 120.0° |
C43 | C41 | C42 | 111.2° | 109.5° |
C43 | C41 | C40 | 111.7° | 109.5° |
C43 | C41 | H30 | 108.0° | 109.5° |
C41 | C43 | H34 | 109.5° | 109.4° |
C41 | C43 | H35 | 109.5° | 109.5° |
C41 | C43 | H36 | 109.5° | 109.5° |
C7 | C6 | C54 | 103.7° | 109.5° |
C6 | C7 | N8 | 118.2° | 120.0° |
C6 | C7 | O44 | 119.4° | 120.0° |
C7 | C6 | H1 | 112.4° | 109.5° |
C6 | C54 | C55 | 119.5° | 109.5° |
C54 | C6 | H1 | 111.8° | 109.5° |
C6 | C54 | H39 | 106.9° | 109.5° |
C6 | C54 | H40 | 106.9° | 109.5° |
C42 | C41 | C40 | 109.5° | 109.5° |
C42 | C41 | H30 | 108.1° | 109.5° |
C41 | C42 | H31 | 109.5° | 109.5° |
C41 | C42 | H32 | 109.5° | 109.5° |
C41 | C42 | H33 | 109.5° | 109.5° |
C41 | C40 | C9 | 109.4° | 109.5° |
C41 | C40 | H28 | 109.5° | 109.5° |
C41 | C40 | H29 | 109.5° | 109.5° |
C40 | C41 | H30 | 108.1° | 109.5° |
C58 | C59 | C60 | 120.2° | 120.0° |
C58 | C59 | H42 | 119.9° | 120.0° |
C59 | C58 | H43 | 120.7° | 120.0° |
N8 | C7 | O44 | 122.4° | 120.0° |
C7 | N8 | C9 | 116.4° | 120.0° |
C7 | N8 | H37 | 121.8° | 120.0° |
C54 | C55 | C60 | 118.4° | 120.1° |
C55 | C54 | H39 | 106.9° | 109.4° |
C55 | C54 | H40 | 106.9° | 109.5° |
C55 | C60 | C59 | 121.9° | 120.0° |
C55 | C60 | H41 | 119.0° | 120.0° |
N8 | C9 | C40 | 114.2° | 109.4° |
N8 | C9 | C10 | 103.4° | 109.5° |
N8 | C9 | H27 | 110.2° | 109.5° |
C9 | N8 | H37 | 121.8° | 120.0° |
C59 | C60 | H41 | 119.0° | 120.0° |
C60 | C59 | H42 | 119.9° | 120.0° |
C40 | C9 | C10 | 110.1° | 109.5° |
C40 | C9 | H27 | 109.3° | 109.5° |
C9 | C40 | H28 | 109.5° | 109.5° |
C9 | C40 | H29 | 109.5° | 109.4° |
C9 | C10 | O39 | 120.8° | 120.0° |
C9 | C10 | N11 | 113.9° | 120.0° |
C10 | C9 | H27 | 109.4° | 109.5° |
O39 | C10 | N11 | 125.0° | 120.0° |
C10 | N11 | C12 | 120.7° | 120.0° |
C10 | N11 | H26 | 119.7° | 120.0° |
N11 | C12 | C32 | 110.6° | 109.5° |
N11 | C12 | C13 | 107.9° | 109.5° |
N11 | C12 | H22 | 109.8° | 109.4° |
C12 | N11 | H26 | 119.6° | 120.0° |
C32 | C12 | C13 | 110.8° | 109.5° |
C32 | C12 | H22 | 108.8° | 109.4° |
C12 | C32 | H23 | 109.5° | 109.4° |
C12 | C32 | H24 | 109.5° | 109.5° |
C12 | C32 | H25 | 109.4° | 109.5° |
C12 | C13 | O31 | 121.8° | 120.0° |
C12 | C13 | N14 | 112.5° | 120.0° |
C13 | C12 | H22 | 108.9° | 109.5° |
O31 | C13 | N14 | 125.7° | 120.0° |
C13 | N14 | C15 | 122.2° | 120.0° |
C13 | N14 | H21 | 118.9° | 119.9° |
N22 | C21 | C20 | 120.9° | 109.5° |
N22 | C21 | H3 | 106.5° | 109.4° |
N22 | C21 | H4 | 106.5° | 109.5° |
C21 | N22 | H13 | 109.5° | 111.0° |
C21 | N22 | H14 | 109.5° | 111.0° |
C21 | C20 | C23 | 117.4° | 120.0° |
C21 | C20 | C19 | 123.7° | 120.0° |
C20 | C21 | H3 | 106.6° | 109.5° |
C20 | C21 | H4 | 106.5° | 109.5° |
C20 | C23 | C24 | 121.0° | 120.0° |
C23 | C20 | C19 | 119.0° | 120.0° |
C20 | C23 | H16 | 119.5° | 120.0° |
C23 | C24 | C17 | 121.0° | 120.0° |
C23 | C24 | H5 | 119.5° | 120.0° |
C24 | C23 | H16 | 119.5° | 120.0° |
C20 | C19 | C18 | 120.1° | 120.0° |
C20 | C19 | H12 | 119.9° | 120.0° |
C24 | C17 | C18 | 117.5° | 119.9° |
C24 | C17 | C16 | 125.7° | 120.0° |
C17 | C24 | H5 | 119.5° | 120.0° |
N14 | C15 | C25 | 108.8° | 109.5° |
N14 | C15 | C16 | 108.1° | 109.5° |
N14 | C15 | H2 | 109.0° | 109.4° |
C15 | N14 | H21 | 118.9° | 120.0° |
C25 | C15 | C16 | 114.9° | 109.5° |
C15 | C25 | C26 | 110.6° | 109.5° |
C25 | C15 | H2 | 108.0° | 109.4° |
C15 | C25 | H19 | 109.2° | 109.5° |
C15 | C25 | H20 | 109.2° | 109.4° |
C15 | C16 | C17 | 111.9° | 109.5° |
C16 | C15 | H2 | 107.8° | 109.5° |
C15 | C16 | H17 | 108.9° | 109.5° |
C15 | C16 | H18 | 108.8° | 109.5° |
C19 | C18 | C17 | 121.3° | 120.0° |
C19 | C18 | H11 | 119.3° | 120.0° |
C18 | C19 | H12 | 119.9° | 120.0° |
C18 | C17 | C16 | 116.8° | 120.0° |
C17 | C18 | H11 | 119.4° | 119.9° |
C17 | C16 | H17 | 108.8° | 109.4° |
C17 | C16 | H18 | 108.9° | 109.4° |
C28 | S27 | C26 | 116.1° | 101.9° |
C28 | S27 | O29 | 105.3° | 108.6° |
C28 | S27 | O30 | 110.5° | 108.5° |
S27 | C28 | H8 | 109.5° | 109.4° |
S27 | C28 | H9 | 109.5° | 109.5° |
S27 | C28 | H10 | 109.5° | 109.5° |
C25 | C26 | S27 | 115.4° | 109.5° |
C25 | C26 | H6 | 108.0° | 109.5° |
C25 | C26 | H7 | 108.0° | 109.4° |
C26 | C25 | H19 | 109.2° | 109.5° |
C26 | C25 | H20 | 109.2° | 109.4° |
C26 | S27 | O29 | 106.3° | 108.6° |
C26 | S27 | O30 | 108.1° | 108.6° |
S27 | C26 | H6 | 108.0° | 109.5° |
S27 | C26 | H7 | 108.0° | 109.5° |
O29 | S27 | O30 | 110.3° | 119.2° |
H3 | C21 | H4 | 109.5° | 109.5° |
H6 | C26 | H7 | 109.5° | 109.5° |
H8 | C28 | H9 | 109.5° | 109.5° |
H8 | C28 | H10 | 109.5° | 109.5° |
H9 | C28 | H10 | 109.5° | 109.5° |
H13 | N22 | H14 | 109.5° | 111.0° |
H17 | C16 | H18 | 109.4° | 109.4° |
H19 | C25 | H20 | 109.5° | 109.5° |
H23 | C32 | H24 | 109.4° | 109.4° |
H23 | C32 | H25 | 109.5° | 109.5° |
H24 | C32 | H25 | 109.5° | 109.5° |
H28 | C40 | H29 | 109.5° | 109.5° |
H31 | C42 | H32 | 109.4° | 109.5° |
H31 | C42 | H33 | 109.5° | 109.4° |
H32 | C42 | H33 | 109.5° | 109.5° |
H34 | C43 | H35 | 109.5° | 109.4° |
H34 | C43 | H36 | 109.4° | 109.5° |
H35 | C43 | H36 | 109.5° | 109.5° |
H39 | C54 | H40 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N53 | N52 | N51 | C6 | 163.2° | 167.7° |
N52 | N51 | C6 | C7 | 160.5° | 175.0° |
N52 | N51 | C6 | C54 | 90.6° | 65.0° |
N52 | N51 | C6 | H1 | 43.2° | 55.0° |
N51 | C6 | C7 | C54 | 121.3° | 120.0° |
N51 | C6 | C7 | H1 | 117.8° | 120.0° |
N51 | C6 | C54 | H1 | 134.3° | 120.0° |
N51 | C6 | C7 | N8 | 126.5° | 160.0° |
N51 | C6 | C7 | O44 | 51.5° | 20.0° |
N51 | C6 | C54 | C55 | 81.5° | 65.0° |
N51 | C6 | C54 | H39 | 39.9° | 55.0° |
N51 | C6 | C54 | H40 | 157.1° | 175.0° |
C56 | C57 | C58 | H44 | 180.0° | 179.4° |
C57 | C56 | C55 | H45 | 180.0° | 179.4° |
C56 | C57 | C58 | C59 | 0.2° | 0.3° |
C57 | C56 | C55 | C54 | 178.6° | 179.6° |
C57 | C56 | C55 | C60 | 1.3° | 0.6° |
C56 | C57 | C58 | H43 | 179.8° | 179.7° |
C58 | C57 | C56 | C55 | 0.6° | 0.6° |
C57 | C58 | C59 | H43 | 180.0° | 180.0° |
C57 | C58 | C59 | C60 | 0.2° | 0.0° |
C57 | C58 | C59 | H42 | 179.8° | 180.0° |
C58 | C57 | C56 | H45 | 179.4° | 180.0° |
C56 | C55 | C54 | C6 | 29.0° | 90.2° |
C56 | C55 | C54 | C60 | 177.3° | 179.8° |
C56 | C55 | C60 | C59 | 1.2° | 0.3° |
C56 | C55 | C54 | H39 | 92.4° | 149.8° |
C56 | C55 | C54 | H40 | 150.4° | 29.8° |
C56 | C55 | C60 | H41 | 178.8° | 179.8° |
C55 | C56 | C57 | H44 | 179.4° | 180.0° |
C43 | C41 | C42 | C40 | 124.0° | 120.0° |
C43 | C41 | C42 | H30 | 118.4° | 120.0° |
C43 | C41 | C40 | H30 | 118.8° | 120.0° |
C43 | C41 | C40 | C9 | 66.8° | 65.0° |
C43 | C41 | C40 | H28 | 53.2° | 175.0° |
C43 | C41 | C40 | H29 | 173.3° | 54.9° |
C43 | C41 | C42 | H31 | 180.0° | 60.0° |
C43 | C41 | C42 | H32 | 60.0° | 60.0° |
C43 | C41 | C42 | H33 | 60.0° | 180.0° |
C41 | C43 | H34 | H35 | 120.0° | 119.9° |
C41 | C43 | H34 | H36 | 120.0° | 120.0° |
C41 | C43 | H35 | H36 | 120.0° | 120.0° |
C7 | C6 | C54 | H1 | 121.3° | 120.0° |
C6 | C7 | N8 | O44 | 177.9° | 180.0° |
C7 | C6 | C54 | C55 | 174.1° | 175.1° |
C6 | C7 | N8 | C9 | 176.4° | 180.0° |
C6 | C7 | N8 | H37 | 3.6° | 0.1° |
C7 | C6 | C54 | H39 | 64.5° | 65.0° |
C7 | C6 | C54 | H40 | 52.6° | 55.0° |
C54 | C6 | C7 | N8 | 112.1° | 80.0° |
C54 | C6 | C7 | O44 | 69.8° | 100.0° |
C6 | C54 | C55 | H39 | 121.4° | 120.0° |
C6 | C54 | C55 | H40 | 121.4° | 120.0° |
C6 | C54 | C55 | C60 | 153.8° | 90.0° |
C6 | C54 | H39 | H40 | 115.5° | 120.0° |
C42 | C41 | C40 | H30 | 117.6° | 120.0° |
C42 | C41 | C40 | C9 | 169.6° | 175.0° |
C42 | C41 | C40 | H28 | 70.4° | 55.0° |
C42 | C41 | C40 | H29 | 49.6° | 65.0° |
C41 | C42 | H31 | H32 | 120.0° | 120.0° |
C41 | C42 | H31 | H33 | 120.0° | 120.0° |
C41 | C42 | H32 | H33 | 120.0° | 120.0° |
C42 | C41 | C43 | H34 | 180.0° | 180.0° |
C42 | C41 | C43 | H35 | 60.0° | 60.0° |
C42 | C41 | C43 | H36 | 60.0° | 60.0° |
C41 | C40 | C9 | N8 | 67.9° | 65.0° |
C41 | C40 | C9 | H28 | 120.0° | 120.1° |
C41 | C40 | C9 | H29 | 120.0° | 120.0° |
C41 | C40 | C9 | C10 | 176.3° | 175.0° |
C41 | C40 | C9 | H27 | 56.1° | 55.0° |
C41 | C40 | H28 | H29 | 120.1° | 120.0° |
C40 | C41 | C42 | H31 | 56.0° | 60.0° |
C40 | C41 | C42 | H32 | 64.0° | 180.0° |
C40 | C41 | C42 | H33 | 176.0° | 60.0° |
C40 | C41 | C43 | H34 | 57.3° | 60.1° |
C40 | C41 | C43 | H35 | 177.3° | 180.0° |
C40 | C41 | C43 | H36 | 62.7° | 60.0° |
C58 | C59 | C60 | C55 | 0.5° | 0.0° |
C58 | C59 | C60 | H42 | 180.0° | 180.0° |
C58 | C59 | C60 | H41 | 179.5° | 179.9° |
C59 | C58 | C57 | H44 | 179.8° | 179.7° |
C7 | N8 | C9 | H37 | 180.0° | 179.9° |
C7 | N8 | C9 | C40 | 169.3° | 85.0° |
C7 | N8 | C9 | C10 | 71.0° | 155.0° |
N8 | C7 | C6 | H1 | 8.7° | 40.0° |
C7 | N8 | C9 | H27 | 45.8° | 34.9° |
O44 | C7 | N8 | C9 | 5.6° | 0.1° |
O44 | C7 | C6 | H1 | 169.3° | 139.9° |
O44 | C7 | N8 | H37 | 174.4° | 180.0° |
C54 | C55 | C60 | C59 | 178.7° | 179.9° |
C55 | C54 | C6 | H1 | 52.8° | 55.0° |
C55 | C54 | H39 | H40 | 115.5° | 120.0° |
C54 | C55 | C60 | H41 | 1.3° | 0.0° |
C54 | C55 | C56 | H45 | 1.4° | 0.2° |
C55 | C60 | C59 | H41 | 180.0° | 179.9° |
C60 | C55 | C54 | H39 | 84.8° | 30.0° |
C60 | C55 | C54 | H40 | 32.3° | 150.0° |
C55 | C60 | C59 | H42 | 179.5° | 180.0° |
C60 | C55 | C56 | H45 | 178.7° | 180.0° |
N8 | C9 | C40 | C10 | 115.8° | 120.0° |
N8 | C9 | C40 | H27 | 124.0° | 120.0° |
N8 | C9 | C10 | H27 | 117.4° | 120.1° |
N8 | C9 | C10 | O39 | 34.8° | 0.0° |
N8 | C9 | C10 | N11 | 138.6° | 180.0° |
N8 | C9 | C40 | H28 | 172.1° | 55.1° |
N8 | C9 | C40 | H29 | 52.1° | 175.0° |
C60 | C59 | C58 | H43 | 179.8° | 180.0° |
C40 | C9 | C10 | H27 | 120.2° | 120.0° |
C40 | C9 | C10 | O39 | 87.6° | 120.0° |
C40 | C9 | C10 | N11 | 99.0° | 60.0° |
C9 | C40 | H28 | H29 | 120.0° | 119.9° |
C9 | C40 | C41 | H30 | 52.0° | 55.0° |
C40 | C9 | N8 | H37 | 10.6° | 95.1° |
C9 | C10 | O39 | N11 | 172.6° | 180.0° |
C9 | C10 | N11 | C12 | 179.3° | 180.0° |
C9 | C10 | N11 | H26 | 0.7° | 0.0° |
C10 | C9 | C40 | H28 | 56.3° | 64.9° |
C10 | C9 | C40 | H29 | 63.8° | 55.0° |
C10 | C9 | N8 | H37 | 109.0° | 24.9° |
O39 | C10 | N11 | C12 | 6.2° | 0.0° |
O39 | C10 | N11 | H26 | 173.8° | 180.0° |
O39 | C10 | C9 | H27 | 152.3° | 120.0° |
C10 | N11 | C12 | H26 | 180.0° | 180.0° |
C10 | N11 | C12 | C32 | 102.5° | 85.0° |
C10 | N11 | C12 | C13 | 136.1° | 155.0° |
C10 | N11 | C12 | H22 | 17.6° | 35.0° |
N11 | C10 | C9 | H27 | 21.1° | 60.0° |
N11 | C12 | C32 | C13 | 119.6° | 120.0° |
N11 | C12 | C32 | H22 | 120.7° | 119.9° |
N11 | C12 | C13 | H22 | 119.1° | 120.0° |
N11 | C12 | C13 | O31 | 44.2° | 0.0° |
N11 | C12 | C13 | N14 | 134.2° | 180.0° |
N11 | C12 | C32 | H23 | 180.0° | 60.1° |
N11 | C12 | C32 | H24 | 60.0° | 180.0° |
N11 | C12 | C32 | H25 | 60.0° | 60.0° |
C32 | C12 | C13 | H22 | 119.7° | 120.0° |
C32 | C12 | C13 | O31 | 77.0° | 120.0° |
C32 | C12 | C13 | N14 | 104.6° | 60.0° |
C12 | C32 | H23 | H24 | 120.0° | 119.9° |
C12 | C32 | H23 | H25 | 120.0° | 120.1° |
C12 | C32 | H24 | H25 | 120.0° | 120.1° |
C32 | C12 | N11 | H26 | 77.5° | 95.0° |
C12 | C13 | O31 | N14 | 178.2° | 180.0° |
C12 | C13 | N14 | C15 | 177.2° | 180.0° |
C12 | C13 | N14 | H21 | 2.9° | 0.0° |
C13 | C12 | C32 | H23 | 60.4° | 59.9° |
C13 | C12 | C32 | H24 | 179.6° | 60.0° |
C13 | C12 | C32 | H25 | 59.6° | 180.0° |
C13 | C12 | N11 | H26 | 43.9° | 25.0° |
O31 | C13 | N14 | C15 | 4.5° | 0.0° |
O31 | C13 | N14 | H21 | 175.5° | 180.0° |
O31 | C13 | C12 | H22 | 163.4° | 120.0° |
C13 | N14 | C15 | H21 | 180.0° | 179.9° |
C13 | N14 | C15 | C25 | 80.7° | 85.0° |
C13 | N14 | C15 | C16 | 153.8° | 155.0° |
C13 | N14 | C15 | H2 | 36.8° | 35.0° |
N14 | C13 | C12 | H22 | 15.1° | 60.0° |
N22 | C21 | C20 | H3 | 121.6° | 120.0° |
N22 | C21 | C20 | H4 | 121.6° | 120.0° |
N22 | C21 | C20 | C23 | 170.4° | 90.5° |
N22 | C21 | C20 | C19 | 9.4° | 90.0° |
N22 | C21 | H3 | H4 | 114.8° | 120.0° |
C21 | N22 | H13 | H14 | 120.0° | 124.0° |
C21 | C20 | C23 | C19 | 179.8° | 179.5° |
C21 | C20 | C23 | C24 | 179.4° | 179.8° |
C21 | C20 | C19 | C18 | 179.8° | 180.0° |
C20 | C21 | H3 | H4 | 114.9° | 120.0° |
C21 | C20 | C19 | H12 | 0.2° | 0.5° |
C20 | C21 | N22 | H13 | 180.0° | 56.0° |
C20 | C21 | N22 | H14 | 60.0° | 180.0° |
C21 | C20 | C23 | H16 | 0.6° | 0.5° |
C20 | C23 | C24 | H16 | 180.0° | 179.2° |
C20 | C23 | C24 | C17 | 0.7° | 0.5° |
C23 | C20 | C19 | C18 | 0.0° | 0.5° |
C23 | C20 | C21 | H3 | 68.0° | 29.4° |
C23 | C20 | C21 | H4 | 48.8° | 149.5° |
C20 | C23 | C24 | H5 | 179.3° | 179.5° |
C23 | C20 | C19 | H12 | 180.0° | 179.9° |
C24 | C23 | C20 | C19 | 0.4° | 0.8° |
C23 | C24 | C17 | H5 | 180.0° | 180.0° |
C23 | C24 | C17 | C18 | 0.6° | 0.1° |
C23 | C24 | C17 | C16 | 179.9° | 179.7° |
C20 | C19 | C18 | H12 | 180.0° | 179.5° |
C20 | C19 | C18 | C17 | 0.1° | 0.1° |
C19 | C20 | C21 | H3 | 112.2° | 150.0° |
C19 | C20 | C21 | H4 | 131.0° | 30.0° |
C20 | C19 | C18 | H11 | 179.9° | 180.0° |
C19 | C20 | C23 | H16 | 179.6° | 180.0° |
C24 | C17 | C16 | C15 | 11.4° | 89.7° |
C24 | C17 | C18 | C19 | 0.2° | 0.3° |
C24 | C17 | C18 | C16 | 179.5° | 179.6° |
C24 | C17 | C18 | H11 | 179.8° | 179.7° |
C17 | C24 | C23 | H16 | 179.3° | 179.7° |
C24 | C17 | C16 | H17 | 131.8° | 150.3° |
C24 | C17 | C16 | H18 | 109.0° | 30.3° |
N14 | C15 | C25 | C16 | 121.4° | 120.0° |
N14 | C15 | C25 | H2 | 118.2° | 120.0° |
N14 | C15 | C16 | H2 | 117.7° | 120.0° |
N14 | C15 | C16 | C17 | 68.4° | 65.0° |
N14 | C15 | C25 | C26 | 41.8° | 65.0° |
N14 | C15 | C16 | H17 | 51.9° | 55.0° |
N14 | C15 | C16 | H18 | 171.2° | 175.0° |
N14 | C15 | C25 | H19 | 78.3° | 175.0° |
N14 | C15 | C25 | H20 | 162.0° | 55.0° |
C25 | C15 | C16 | H2 | 120.4° | 120.0° |
C25 | C15 | C16 | C17 | 169.7° | 175.0° |
C15 | C25 | C26 | H19 | 120.1° | 120.0° |
C15 | C25 | C26 | H20 | 120.2° | 120.0° |
C15 | C25 | C26 | S27 | 154.7° | 180.0° |
C15 | C25 | C26 | H6 | 84.4° | 59.9° |
C15 | C25 | C26 | H7 | 33.8° | 60.0° |
C25 | C15 | C16 | H17 | 69.9° | 65.0° |
C25 | C15 | C16 | H18 | 49.4° | 55.0° |
C15 | C25 | H19 | H20 | 119.5° | 120.0° |
C25 | C15 | N14 | H21 | 99.3° | 95.0° |
C15 | C16 | C17 | C18 | 169.2° | 89.9° |
C15 | C16 | C17 | H17 | 120.4° | 120.0° |
C15 | C16 | C17 | H18 | 120.4° | 120.0° |
C16 | C15 | C25 | C26 | 79.6° | 175.0° |
C15 | C16 | H17 | H18 | 118.9° | 120.0° |
C16 | C15 | C25 | H19 | 160.2° | 55.0° |
C16 | C15 | C25 | H20 | 40.5° | 65.0° |
C16 | C15 | N14 | H21 | 26.2° | 25.0° |
C19 | C18 | C17 | H11 | 180.0° | 179.9° |
C19 | C18 | C17 | C16 | 179.7° | 180.0° |
C18 | C17 | C24 | H5 | 179.4° | 179.9° |
C17 | C18 | C19 | H12 | 179.9° | 179.5° |
C18 | C17 | C16 | H17 | 48.8° | 30.1° |
C18 | C17 | C16 | H18 | 70.5° | 150.0° |
C17 | C16 | C15 | H2 | 49.3° | 55.0° |
C16 | C17 | C24 | H5 | 0.0° | 0.3° |
C16 | C17 | C18 | H11 | 0.3° | 0.1° |
C17 | C16 | H17 | H18 | 118.9° | 119.9° |
C28 | S27 | C26 | C25 | 40.5° | 180.0° |
C28 | S27 | C26 | O29 | 116.7° | 114.5° |
C28 | S27 | C26 | O30 | 124.9° | 114.4° |
C28 | S27 | O29 | O30 | 119.3° | 125.0° |
C28 | S27 | C26 | H6 | 161.4° | 60.0° |
C28 | S27 | C26 | H7 | 80.4° | 60.0° |
S27 | C28 | H8 | H9 | 120.0° | 120.0° |
S27 | C28 | H8 | H10 | 120.0° | 120.0° |
S27 | C28 | H9 | H10 | 120.0° | 120.0° |
C25 | C26 | S27 | H6 | 120.9° | 120.0° |
C25 | C26 | S27 | H7 | 120.9° | 119.9° |
C25 | C26 | S27 | O29 | 157.2° | 65.5° |
C25 | C26 | S27 | O30 | 84.4° | 65.6° |
C26 | C25 | C15 | H2 | 160.0° | 55.0° |
C25 | C26 | H6 | H7 | 117.3° | 119.9° |
C26 | C25 | H19 | H20 | 119.5° | 120.0° |
C26 | S27 | O29 | O30 | 116.9° | 125.0° |
S27 | C26 | H6 | H7 | 117.3° | 120.0° |
C26 | S27 | C28 | H8 | 180.0° | 60.0° |
C26 | S27 | C28 | H9 | 60.0° | 180.0° |
C26 | S27 | C28 | H10 | 60.0° | 60.0° |
S27 | C26 | C25 | H19 | 34.6° | 60.0° |
S27 | C26 | C25 | H20 | 85.1° | 60.0° |
O29 | S27 | C26 | H6 | 81.9° | 174.5° |
O29 | S27 | C26 | H7 | 36.3° | 54.5° |
O29 | S27 | C28 | H8 | 62.7° | 54.5° |
O29 | S27 | C28 | H9 | 57.4° | 65.5° |
O29 | S27 | C28 | H10 | 177.3° | 174.5° |
O30 | S27 | C26 | H6 | 36.5° | 54.4° |
O30 | S27 | C26 | H7 | 154.8° | 174.5° |
O30 | S27 | C28 | H8 | 56.4° | 174.5° |
O30 | S27 | C28 | H9 | 176.4° | 65.5° |
O30 | S27 | C28 | H10 | 63.6° | 54.5° |
H1 | C6 | C54 | H39 | 174.2° | 175.0° |
H1 | C6 | C54 | H40 | 68.6° | 65.0° |
H2 | C15 | C16 | H17 | 169.7° | 175.0° |
H2 | C15 | C16 | H18 | 71.1° | 65.0° |
H2 | C15 | C25 | H19 | 39.9° | 65.0° |
H2 | C15 | C25 | H20 | 79.8° | 175.0° |
H2 | C15 | N14 | H21 | 143.1° | 145.0° |
H3 | C21 | N22 | H13 | 58.4° | 64.0° |
H3 | C21 | N22 | H14 | 61.6° | 60.0° |
H4 | C21 | N22 | H13 | 58.4° | 176.0° |
H4 | C21 | N22 | H14 | 178.4° | 60.0° |
H5 | C24 | C23 | H16 | 0.7° | 0.3° |
H6 | C26 | C25 | H19 | 155.5° | 180.0° |
H6 | C26 | C25 | H20 | 35.8° | 60.0° |
H7 | C26 | C25 | H19 | 86.3° | 60.0° |
H7 | C26 | C25 | H20 | 154.0° | NaN° |
H8 | C28 | H9 | H10 | 120.0° | 120.0° |
H11 | C18 | C19 | H12 | 0.1° | 0.4° |
H22 | C12 | C32 | H23 | 59.3° | 180.0° |
H22 | C12 | C32 | H24 | 60.7° | 60.1° |
H22 | C12 | C32 | H25 | 179.3° | 60.0° |
H22 | C12 | N11 | H26 | 162.4° | 145.1° |
H23 | C32 | H24 | H25 | 120.0° | 120.0° |
H27 | C9 | C40 | H28 | 63.9° | 175.0° |
H27 | C9 | C40 | H29 | 176.0° | 65.0° |
H27 | C9 | N8 | H37 | 134.2° | 145.0° |
H28 | C40 | C41 | H30 | 172.0° | 65.0° |
H29 | C40 | C41 | H30 | 68.0° | 175.0° |
H30 | C41 | C42 | H31 | 61.6° | 180.0° |
H30 | C41 | C42 | H32 | 178.4° | 60.0° |
H30 | C41 | C42 | H33 | 58.4° | 60.0° |
H30 | C41 | C43 | H34 | 61.5° | 60.0° |
H30 | C41 | C43 | H35 | 58.5° | 60.0° |
H30 | C41 | C43 | H36 | 178.5° | 180.0° |
H31 | C42 | H32 | H33 | 120.0° | 120.0° |
H34 | C43 | H35 | H36 | 119.9° | 120.1° |
H41 | C60 | C59 | H42 | 0.5° | 0.0° |
H42 | C59 | C58 | H43 | 0.2° | 0.0° |
H43 | C58 | C57 | H44 | 0.2° | 0.3° |
H44 | C57 | C56 | H45 | 0.6° | 0.6° |