OYJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S1 | N4 | sing | 1.66Å | 1.65Å | |
S1 | O19 | doub | 1.42Å | 1.42Å | |
S1 | O20 | doub | 1.42Å | 1.42Å | |
S1 | C33 | sing | 1.81Å | 1.81Å | |
C2 | C3 | sing | 1.55Å | 1.55Å | |
C2 | C5 | sing | 1.51Å | 1.50Å | |
C2 | C8 | sing | 1.54Å | 1.54Å | |
C3 | C7 | sing | 1.51Å | 1.52Å | |
C3 | C9 | sing | 1.55Å | 1.54Å | |
N4 | C8 | sing | 1.47Å | 1.47Å | |
N4 | C9 | sing | 1.47Å | 1.46Å | |
C5 | N12 | sing | 1.35Å | 1.32Å | |
C5 | O23 | doub | 1.21Å | 1.22Å | |
N6 | C10 | sing | 1.35Å | 1.35Å | |
N6 | C11 | sing | 1.40Å | 1.40Å | |
N6 | C21 | sing | 1.36Å | 1.37Å | |
C7 | N14 | sing | 1.35Å | 1.34Å | |
C7 | O24 | doub | 1.21Å | 1.22Å | |
C10 | C25 | sing | 1.40Å | 1.41Å | |
C10 | O27 | doub | 1.22Å | 1.24Å | |
C11 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
C11 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
N12 | C15 | sing | 1.40Å | 1.42Å | |
C13 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
N14 | C22 | sing | 1.40Å | 1.39Å | |
C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
C15 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | F34 | sing | 1.35Å | 1.34Å | |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
C17 | F35 | sing | 1.35Å | 1.35Å | |
C18 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C30 | doub | 1.35Å | 1.36Å | |
C22 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
C25 | C31 | doub | 1.36Å | 1.36Å | |
C26 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
C26 | CL | sing | 1.74Å | 1.74Å | |
C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C30 | C31 | sing | 1.40Å | 1.40Å | |
C32 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H333 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H81C | sing | 1.09Å | 1.10Å | |
C8 | H82C | sing | 1.09Å | 1.10Å | |
C9 | H91C | sing | 1.09Å | 1.10Å | |
C9 | H92C | sing | 1.09Å | 1.10Å | |
N12 | H12 | sing | 0.97Å | 1.00Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
N14 | H14 | sing | 0.97Å | 1.00Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C36 | H36 | sing | 1.08Å | 1.08Å | |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N4 | S1 | O19 | 101.6° | 104.3° |
N4 | S1 | O20 | 101.4° | 104.2° |
N4 | S1 | C33 | 102.4° | 104.4° |
S1 | N4 | C8 | 118.6° | 125.7° |
S1 | N4 | C9 | 117.4° | 125.6° |
O19 | S1 | O20 | 122.7° | 121.0° |
O19 | S1 | C33 | 111.7° | 110.6° |
O20 | S1 | C33 | 113.3° | 110.5° |
S1 | C33 | H331 | 109.5° | 109.5° |
S1 | C33 | H332 | 109.5° | 109.5° |
S1 | C33 | H333 | 109.5° | 109.5° |
C3 | C2 | C5 | 108.5° | 110.8° |
C3 | C2 | C8 | 103.8° | 102.9° |
C2 | C3 | C7 | 112.1° | 111.0° |
C2 | C3 | C9 | 105.9° | 101.6° |
C3 | C2 | H2 | 114.3° | 110.7° |
C2 | C3 | H3 | 112.1° | 111.0° |
C5 | C2 | C8 | 111.2° | 110.7° |
C2 | C5 | N12 | 113.6° | 120.0° |
C2 | C5 | O23 | 123.3° | 120.0° |
C5 | C2 | H2 | 107.3° | 110.7° |
C2 | C8 | N4 | 101.8° | 107.3° |
C8 | C2 | H2 | 111.7° | 110.8° |
C2 | C8 | H81C | 112.1° | 109.9° |
C2 | C8 | H82C | 113.7° | 109.8° |
C7 | C3 | C9 | 114.8° | 111.0° |
C3 | C7 | N14 | 117.6° | 120.0° |
C3 | C7 | O24 | 120.9° | 120.0° |
C7 | C3 | H3 | 102.7° | 110.9° |
C3 | C9 | N4 | 104.1° | 104.8° |
C9 | C3 | H3 | 109.3° | 111.0° |
C3 | C9 | H91C | 111.3° | 110.4° |
C3 | C9 | H92C | 112.4° | 110.3° |
C8 | N4 | C9 | 113.2° | 108.7° |
N4 | C8 | H81C | 112.1° | 109.9° |
N4 | C8 | H82C | 113.7° | 109.8° |
N4 | C9 | H91C | 111.3° | 110.4° |
N4 | C9 | H92C | 112.4° | 110.4° |
N12 | C5 | O23 | 123.1° | 120.0° |
C5 | N12 | C15 | 126.9° | 120.0° |
C5 | N12 | H12 | 116.5° | 120.0° |
C10 | N6 | C11 | 121.9° | 119.6° |
C10 | N6 | C21 | 120.0° | 120.7° |
N6 | C10 | C25 | 119.3° | 120.1° |
N6 | C10 | O27 | 120.2° | 120.0° |
C11 | N6 | C21 | 118.1° | 119.7° |
N6 | C11 | C13 | 118.3° | 119.9° |
N6 | C11 | C28 | 119.8° | 120.0° |
N6 | C21 | C30 | 121.7° | 120.7° |
N6 | C21 | H21 | 119.2° | 119.6° |
N14 | C7 | O24 | 121.5° | 120.0° |
C7 | N14 | C22 | 123.6° | 120.0° |
C7 | N14 | H14 | 118.2° | 120.0° |
C25 | C10 | O27 | 120.5° | 120.0° |
C10 | C25 | C31 | 120.7° | 119.3° |
C10 | C25 | H25 | 119.6° | 120.3° |
C13 | C11 | C28 | 121.9° | 120.1° |
C11 | C13 | C16 | 117.4° | 119.9° |
C11 | C13 | H13 | 121.3° | 120.1° |
C11 | C28 | C29 | 119.6° | 120.0° |
C11 | C28 | H28 | 120.2° | 120.0° |
N12 | C15 | C16 | 113.4° | 120.0° |
N12 | C15 | C29 | 125.8° | 120.0° |
C15 | N12 | H12 | 116.5° | 120.0° |
C13 | C16 | C15 | 121.9° | 120.0° |
C13 | C16 | F34 | 118.5° | 120.0° |
C16 | C13 | H13 | 121.3° | 120.0° |
N14 | C22 | C18 | 122.5° | 120.0° |
N14 | C22 | C36 | 116.6° | 120.1° |
C22 | N14 | H14 | 118.2° | 120.0° |
C16 | C15 | C29 | 120.8° | 120.0° |
C15 | C16 | F34 | 119.6° | 120.0° |
C15 | C29 | C28 | 118.5° | 120.0° |
C15 | C29 | H29 | 120.8° | 120.0° |
C18 | C17 | C26 | 121.9° | 120.0° |
C18 | C17 | F35 | 119.3° | 120.0° |
C17 | C18 | C22 | 117.0° | 119.9° |
C17 | C18 | H18 | 121.5° | 120.0° |
C26 | C17 | F35 | 118.8° | 120.0° |
C17 | C26 | C32 | 120.6° | 120.1° |
C17 | C26 | CL | 120.6° | 119.9° |
C18 | C22 | C36 | 120.7° | 119.9° |
C22 | C18 | H18 | 121.5° | 120.1° |
C21 | C30 | C31 | 119.4° | 119.9° |
C30 | C21 | H21 | 119.2° | 119.7° |
C21 | C30 | H30 | 120.3° | 120.1° |
C22 | C36 | C32 | 122.3° | 120.0° |
C22 | C36 | H36 | 118.9° | 120.0° |
C25 | C31 | C30 | 118.9° | 119.3° |
C31 | C25 | H25 | 119.7° | 120.4° |
C25 | C31 | H31 | 120.6° | 120.3° |
C32 | C26 | CL | 118.8° | 119.9° |
C26 | C32 | C36 | 117.5° | 120.1° |
C26 | C32 | H32 | 121.2° | 120.0° |
C29 | C28 | H28 | 120.2° | 120.0° |
C28 | C29 | H29 | 120.7° | 120.0° |
C31 | C30 | H30 | 120.3° | 120.0° |
C30 | C31 | H31 | 120.5° | 120.4° |
C32 | C36 | H36 | 118.9° | 120.0° |
C36 | C32 | H32 | 121.2° | 120.0° |
H331 | C33 | H332 | 109.4° | 109.5° |
H331 | C33 | H333 | 109.5° | 109.5° |
H332 | C33 | H333 | 109.5° | 109.5° |
H81C | C8 | H82C | 103.7° | 110.1° |
H91C | C9 | H92C | 105.4° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N4 | S1 | O19 | O20 | 111.8° | 116.7° |
N4 | S1 | O19 | C33 | 108.6° | 111.7° |
N4 | S1 | O20 | C33 | 109.0° | 111.7° |
S1 | N4 | C8 | C2 | 171.2° | 178.9° |
S1 | N4 | C9 | C3 | 154.5° | 155.9° |
S1 | N4 | C8 | C9 | 143.6° | 180.0° |
N4 | S1 | C33 | H331 | 76.2° | 60.0° |
N4 | S1 | C33 | H332 | 163.8° | 179.9° |
N4 | S1 | C33 | H333 | 43.8° | 60.0° |
S1 | N4 | C8 | H81C | 68.8° | 61.6° |
S1 | N4 | C8 | H82C | 48.6° | 59.6° |
S1 | N4 | C9 | H91C | 34.5° | 37.1° |
S1 | N4 | C9 | H92C | 83.5° | 85.3° |
O19 | S1 | O20 | C33 | 139.1° | 131.6° |
O19 | S1 | N4 | C8 | 172.7° | 153.9° |
O19 | S1 | N4 | C9 | 45.2° | 26.1° |
O19 | S1 | C33 | H331 | 31.8° | 51.6° |
O19 | S1 | C33 | H332 | 88.2° | 68.4° |
O19 | S1 | C33 | H333 | 151.8° | 171.6° |
O20 | S1 | N4 | C8 | 45.5° | 26.0° |
O20 | S1 | N4 | C9 | 172.4° | 153.9° |
O20 | S1 | C33 | H331 | 175.5° | 171.6° |
O20 | S1 | C33 | H332 | 55.5° | 68.4° |
O20 | S1 | C33 | H333 | 64.5° | 51.6° |
C33 | S1 | N4 | C8 | 71.7° | 90.0° |
C33 | S1 | N4 | C9 | 70.4° | 90.0° |
S1 | C33 | H331 | H332 | 120.0° | 120.0° |
S1 | C33 | H331 | H333 | 120.0° | 120.0° |
S1 | C33 | H332 | H333 | 120.0° | 120.0° |
C3 | C2 | C5 | C8 | 113.6° | 113.5° |
C3 | C2 | C5 | H2 | 123.9° | 123.2° |
C3 | C2 | C8 | H2 | 123.6° | 118.4° |
C2 | C3 | C7 | C9 | 121.0° | 112.2° |
C2 | C3 | C7 | H3 | 120.5° | 123.9° |
C2 | C3 | C9 | H3 | 121.0° | 118.1° |
C3 | C2 | C8 | N4 | 32.7° | 22.1° |
C2 | C3 | C9 | N4 | 11.4° | 37.0° |
C3 | C2 | C5 | N12 | 93.4° | 180.0° |
C3 | C2 | C5 | O23 | 84.2° | 0.0° |
C2 | C3 | C7 | N14 | 177.8° | 180.0° |
C2 | C3 | C7 | O24 | 1.1° | 0.0° |
C3 | C2 | C8 | H81C | 152.7° | 141.6° |
C3 | C2 | C8 | H82C | 90.0° | 97.2° |
C2 | C3 | C9 | H91C | 131.5° | 155.8° |
C2 | C3 | C9 | H92C | 110.5° | 81.8° |
C5 | C2 | C8 | H2 | 119.8° | 123.2° |
C5 | C2 | C3 | C7 | 87.8° | 88.1° |
C5 | C2 | C3 | C9 | 146.2° | 153.8° |
C5 | C2 | C8 | N4 | 149.2° | 140.6° |
C2 | C5 | N12 | O23 | 177.6° | 180.0° |
C2 | C5 | N12 | C15 | 178.1° | 174.7° |
C5 | C2 | C3 | H3 | 27.1° | 35.7° |
C5 | C2 | C8 | H81C | 90.7° | 100.0° |
C5 | C2 | C8 | H82C | 26.5° | 21.2° |
C2 | C5 | N12 | H12 | 2.0° | 5.3° |
C8 | C2 | C3 | C7 | 153.8° | 153.5° |
C8 | C2 | C3 | C9 | 27.8° | 35.5° |
C2 | C8 | N4 | H81C | 120.0° | 119.4° |
C2 | C8 | N4 | H82C | 122.7° | 119.3° |
C2 | C8 | N4 | C9 | 27.7° | 1.1° |
C8 | C2 | C5 | N12 | 153.0° | 66.5° |
C8 | C2 | C5 | O23 | 29.4° | 113.6° |
C8 | C2 | C3 | H3 | 91.3° | 82.7° |
C2 | C8 | H81C | H82C | 123.0° | 121.1° |
C7 | C3 | C9 | H3 | 114.7° | 123.8° |
C7 | C3 | C9 | N4 | 135.8° | 155.1° |
C3 | C7 | N14 | O24 | 178.9° | 180.0° |
C3 | C7 | N14 | C22 | 173.8° | 175.0° |
C7 | C3 | C2 | H2 | 31.8° | 35.1° |
C7 | C3 | C9 | H91C | 104.2° | 86.1° |
C7 | C3 | C9 | H92C | 13.8° | 36.3° |
C3 | C7 | N14 | H14 | 6.2° | 4.9° |
C3 | C9 | N4 | C8 | 10.4° | 24.1° |
C3 | C9 | N4 | H91C | 120.0° | 118.8° |
C3 | C9 | N4 | H92C | 122.0° | 118.8° |
C9 | C3 | C7 | N14 | 61.2° | 67.8° |
C9 | C3 | C7 | O24 | 119.9° | 112.2° |
C9 | C3 | C2 | H2 | 94.2° | 83.0° |
C3 | C9 | H91C | H92C | 122.2° | 122.3° |
N4 | C8 | C2 | H2 | 90.9° | 96.2° |
N4 | C8 | H81C | H82C | 123.1° | 121.1° |
C8 | N4 | C9 | H91C | 109.5° | 143.0° |
C8 | N4 | C9 | H92C | 132.4° | 94.7° |
N4 | C9 | C3 | H3 | 109.5° | 81.1° |
C9 | N4 | C8 | H81C | 147.7° | 118.3° |
C9 | N4 | C8 | H82C | 95.0° | 120.4° |
N4 | C9 | H91C | H92C | 122.2° | 122.3° |
C5 | N12 | C15 | H12 | 180.0° | 180.0° |
C5 | N12 | C15 | C16 | 142.5° | 157.9° |
C5 | N12 | C15 | C29 | 38.5° | 21.7° |
N12 | C5 | C2 | H2 | 30.5° | 56.8° |
O23 | C5 | N12 | C15 | 4.3° | 5.3° |
O23 | C5 | C2 | H2 | 151.9° | 123.1° |
O23 | C5 | N12 | H12 | 175.6° | 174.7° |
C10 | N6 | C11 | C21 | 179.8° | 179.7° |
N6 | C10 | C25 | O27 | 178.5° | 180.0° |
C10 | N6 | C11 | C13 | 77.3° | 93.4° |
C10 | N6 | C11 | C28 | 101.4° | 87.0° |
C10 | N6 | C21 | C30 | 0.1° | 0.0° |
N6 | C10 | C25 | C31 | 0.6° | 0.1° |
C10 | N6 | C21 | H21 | 179.9° | 180.0° |
N6 | C10 | C25 | H25 | 179.4° | 180.0° |
C11 | N6 | C10 | C25 | 179.6° | 180.0° |
C11 | N6 | C10 | O27 | 1.9° | 0.0° |
N6 | C11 | C13 | C28 | 178.7° | 179.7° |
N6 | C11 | C13 | C16 | 178.9° | 179.9° |
C11 | N6 | C21 | C30 | 179.9° | 179.7° |
N6 | C11 | C28 | C29 | 179.3° | 180.0° |
C11 | N6 | C21 | H21 | 0.1° | 0.3° |
N6 | C11 | C13 | H13 | 1.0° | 0.0° |
N6 | C11 | C28 | H28 | 0.6° | 0.1° |
C21 | N6 | C10 | C25 | 0.2° | 0.2° |
C21 | N6 | C10 | O27 | 178.3° | 179.7° |
C21 | N6 | C11 | C13 | 102.9° | 86.4° |
C21 | N6 | C11 | C28 | 78.4° | 93.3° |
N6 | C21 | C30 | H21 | 180.0° | 180.0° |
N6 | C21 | C30 | C31 | 0.0° | 0.6° |
N6 | C21 | C30 | H30 | 180.0° | 180.0° |
C7 | N14 | C22 | H14 | 180.0° | 180.0° |
C7 | N14 | C22 | C18 | 18.0° | 144.0° |
C7 | N14 | C22 | C36 | 156.5° | 36.1° |
N14 | C7 | C3 | H3 | 57.3° | 56.1° |
O24 | C7 | N14 | C22 | 5.2° | 5.0° |
O24 | C7 | C3 | H3 | 121.7° | 123.9° |
O24 | C7 | N14 | H14 | 174.8° | 175.0° |
C10 | C25 | C31 | H25 | 180.0° | 180.0° |
C10 | C25 | C31 | C30 | 0.7° | 0.6° |
C10 | C25 | C31 | H31 | 179.3° | 180.0° |
O27 | C10 | C25 | C31 | 177.8° | 180.0° |
O27 | C10 | C25 | H25 | 2.2° | 0.0° |
C11 | C13 | C16 | H13 | 180.0° | 180.0° |
C11 | C13 | C16 | C15 | 0.5° | 0.0° |
C11 | C13 | C16 | F34 | 179.3° | 180.0° |
C13 | C11 | C28 | C29 | 0.6° | 0.3° |
C13 | C11 | C28 | H28 | 179.4° | 179.7° |
C28 | C11 | C13 | C16 | 0.2° | 0.3° |
C11 | C28 | C29 | C15 | 0.3° | 0.0° |
C11 | C28 | C29 | H28 | 180.0° | 179.9° |
C28 | C11 | C13 | H13 | 179.8° | 179.7° |
C11 | C28 | C29 | H29 | 179.7° | 179.7° |
N12 | C15 | C16 | C13 | 178.2° | 180.0° |
N12 | C15 | C16 | C29 | 179.1° | 179.7° |
N12 | C15 | C16 | F34 | 0.6° | 0.1° |
N12 | C15 | C29 | C28 | 178.5° | 180.0° |
N12 | C15 | C29 | H29 | 1.5° | 0.3° |
C13 | C16 | C15 | F34 | 178.8° | 179.9° |
C13 | C16 | C15 | C29 | 0.8° | 0.4° |
N14 | C22 | C18 | C17 | 175.9° | 179.9° |
N14 | C22 | C18 | C36 | 174.2° | 179.9° |
N14 | C22 | C36 | C32 | 176.7° | 180.0° |
N14 | C22 | C18 | H18 | 4.1° | 0.0° |
N14 | C22 | C36 | H36 | 3.3° | 0.1° |
C16 | C15 | C29 | C28 | 0.4° | 0.3° |
C16 | C15 | N12 | H12 | 37.5° | 22.1° |
C15 | C16 | C13 | H13 | 179.5° | 180.0° |
C16 | C15 | C29 | H29 | 179.6° | 180.0° |
C29 | C15 | C16 | F34 | 179.6° | 179.7° |
C15 | C29 | C28 | H29 | 180.0° | 179.7° |
C29 | C15 | N12 | H12 | 141.5° | 158.3° |
C15 | C29 | C28 | H28 | 179.7° | 179.9° |
F34 | C16 | C13 | H13 | 0.7° | 0.0° |
C18 | C17 | C26 | F35 | 178.3° | 179.7° |
C17 | C18 | C22 | H18 | 180.0° | 179.9° |
C17 | C18 | C22 | C36 | 1.7° | 0.0° |
C18 | C17 | C26 | C32 | 1.8° | 0.1° |
C18 | C17 | C26 | CL | 178.2° | 180.0° |
C26 | C17 | C18 | C22 | 0.2° | 0.1° |
C17 | C26 | C32 | CL | 176.5° | 180.0° |
C17 | C26 | C32 | C36 | 1.3° | 0.0° |
C26 | C17 | C18 | H18 | 179.7° | 180.0° |
C17 | C26 | C32 | H32 | 178.7° | 180.0° |
F35 | C17 | C18 | C22 | 178.6° | 179.7° |
F35 | C17 | C26 | C32 | 179.9° | 179.7° |
F35 | C17 | C26 | CL | 3.4° | 0.3° |
F35 | C17 | C18 | H18 | 1.4° | 0.4° |
C18 | C22 | C36 | C32 | 2.1° | 0.0° |
C18 | C22 | N14 | H14 | 162.0° | 36.0° |
C18 | C22 | C36 | H36 | 177.9° | 180.0° |
C21 | C30 | C31 | C25 | 0.4° | 0.8° |
C21 | C30 | C31 | H30 | 180.0° | 179.5° |
C21 | C30 | C31 | H31 | 179.6° | 179.7° |
C22 | C36 | C32 | C26 | 0.6° | 0.0° |
C22 | C36 | C32 | H36 | 180.0° | 180.0° |
C36 | C22 | N14 | H14 | 23.5° | 144.0° |
C36 | C22 | C18 | H18 | 178.4° | 179.9° |
C22 | C36 | C32 | H32 | 179.4° | 180.0° |
C25 | C31 | C30 | H31 | 180.0° | 179.5° |
C25 | C31 | C30 | H30 | 179.6° | 179.7° |
C26 | C32 | C36 | H32 | 180.0° | 180.0° |
C26 | C32 | C36 | H36 | 179.5° | 180.0° |
CL | C26 | C32 | C36 | 177.9° | 180.0° |
CL | C26 | C32 | H32 | 2.1° | 0.0° |
C31 | C30 | C21 | H21 | 180.0° | 179.5° |
C30 | C31 | C25 | H25 | 179.3° | 179.5° |
H331 | C33 | H332 | H333 | 120.0° | 120.0° |
H2 | C2 | C3 | H3 | 146.7° | 158.9° |
H2 | C2 | C8 | H81C | 29.1° | 23.2° |
H2 | C2 | C8 | H82C | 146.4° | 144.4° |
H3 | C3 | C9 | H91C | 10.5° | 37.7° |
H3 | C3 | C9 | H92C | 128.5° | 160.1° |
H21 | C21 | C30 | H30 | 0.0° | 0.0° |
H25 | C25 | C31 | H31 | 0.7° | 0.0° |
H28 | C28 | C29 | H29 | 0.3° | 0.3° |
H30 | C30 | C31 | H31 | 0.4° | 0.3° |
H36 | C36 | C32 | H32 | 0.5° | 0.0° |