B6F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FE | C23 | sing | 2.02Å | 2.02Å | |
FE | C24 | sing | 2.00Å | 2.00Å | |
FE | C25 | sing | 1.99Å | 1.99Å | |
FE | C26 | sing | 1.98Å | 1.98Å | |
FE | C27 | sing | 2.00Å | 2.00Å | |
FE | C28 | sing | 2.00Å | 2.00Å | |
FE | C29 | sing | 1.99Å | 1.99Å | |
FE | C30 | sing | 1.99Å | 1.99Å | |
C1 | C12 | sing | 1.52Å | 1.52Å | |
C1 | N31 | sing | 1.49Å | 1.49Å | |
N1 | C3 | sing | 1.33Å | 1.33Å | |
N1 | C5 | sing | 1.43Å | 1.43Å | |
S1 | C2 | sing | 1.79Å | 1.79Å | |
S1 | C6 | sing | 1.75Å | 1.75Å | |
C2 | C4 | sing | 1.54Å | 1.54Å | |
C2 | C7 | sing | 1.53Å | 1.53Å | |
N2 | C3 | sing | 1.35Å | 1.35Å | |
N2 | C4 | sing | 1.46Å | 1.46Å | |
C3 | O3 | doub | 1.23Å | 1.23Å | |
N3 | C16 | sing | 1.34Å | 1.34Å | |
N3 | C17 | sing | 1.46Å | 1.46Å | |
C4 | C5 | sing | 1.52Å | 1.52Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C8 | C9 | sing | 1.52Å | 1.52Å | |
C9 | C10 | sing | 1.51Å | 1.51Å | |
C10 | C11 | sing | 1.49Å | 1.49Å | |
C11 | O11 | doub | 1.21Å | 1.21Å | |
C11 | N31 | sing | 1.38Å | 1.38Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
C16 | O16 | doub | 1.23Å | 1.23Å | |
C17 | C18 | sing | 1.54Å | 1.54Å | |
C18 | C19 | sing | 1.55Å | 1.55Å | |
C19 | C20 | sing | 1.54Å | 1.54Å | |
C20 | C21 | sing | 1.54Å | 1.54Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C22 | O22 | doub | 1.21Å | 1.21Å | |
C22 | C23 | sing | 1.50Å | 1.50Å | |
C23 | C24 | sing | 1.39Å | 1.39Å | |
C23 | C27 | sing | 1.38Å | 1.38Å | |
C24 | C25 | doub | 1.38Å | 1.38Å | |
C25 | C26 | sing | 1.38Å | 1.38Å | |
C26 | C27 | doub | 1.38Å | 1.38Å | |
C28 | C29 | sing | 1.37Å | 1.37Å | |
C28 | C32 | sing | 1.37Å | 1.37Å | |
C29 | C30 | doub | 1.38Å | 1.38Å | |
C30 | C31 | sing | 1.37Å | 1.37Å | |
C31 | C32 | doub | 1.37Å | 1.37Å | |
FE | C31 | sing | 2.00Å | 2.00Å | |
FE | C32 | sing | 2.01Å | 2.01Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
C1 | H2 | sing | 1.10Å | 1.10Å | |
N1 | H3 | sing | 1.00Å | 1.00Å | |
C2 | H4 | sing | 1.10Å | 1.10Å | |
N2 | H5 | sing | 1.00Å | 1.00Å | |
N3 | H6 | sing | 1.00Å | 1.00Å | |
C4 | H7 | sing | 1.10Å | 1.10Å | |
C5 | H8 | sing | 1.10Å | 1.10Å | |
C6 | H9 | sing | 1.10Å | 1.10Å | |
C6 | H10 | sing | 1.10Å | 1.10Å | |
C7 | H11 | sing | 1.10Å | 1.10Å | |
C7 | H12 | sing | 1.10Å | 1.10Å | |
C8 | H13 | sing | 1.10Å | 1.10Å | |
C8 | H14 | sing | 1.10Å | 1.10Å | |
C9 | H15 | sing | 1.10Å | 1.10Å | |
C9 | H16 | sing | 1.10Å | 1.10Å | |
C10 | H17 | sing | 1.10Å | 1.10Å | |
C10 | H18 | sing | 1.10Å | 1.10Å | |
C12 | H19 | sing | 1.10Å | 1.10Å | |
C12 | H20 | sing | 1.10Å | 1.10Å | |
C13 | H21 | sing | 1.10Å | 1.10Å | |
C13 | H22 | sing | 1.10Å | 1.10Å | |
C14 | H23 | sing | 1.10Å | 1.10Å | |
C14 | H24 | sing | 1.10Å | 1.10Å | |
C15 | H25 | sing | 1.10Å | 1.10Å | |
C15 | H26 | sing | 1.10Å | 1.10Å | |
C17 | H27 | sing | 1.10Å | 1.10Å | |
C17 | H28 | sing | 1.10Å | 1.10Å | |
C18 | H29 | sing | 1.10Å | 1.10Å | |
C18 | H30 | sing | 1.10Å | 1.10Å | |
C19 | H31 | sing | 1.10Å | 1.10Å | |
C19 | H32 | sing | 1.10Å | 1.10Å | |
C20 | H33 | sing | 1.10Å | 1.10Å | |
C20 | H34 | sing | 1.10Å | 1.10Å | |
C21 | H35 | sing | 1.10Å | 1.10Å | |
C21 | H36 | sing | 1.10Å | 1.10Å | |
C28 | H37 | sing | 1.10Å | 1.10Å | |
N31 | H38 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | FE | C24 | 40.5° | 40.5° |
C23 | FE | C25 | 68.2° | 68.2° |
C23 | FE | C26 | 68.0° | 68.0° |
C23 | FE | C27 | 40.3° | 40.3° |
C23 | FE | C28 | 132.3° | 132.3° |
C23 | FE | C29 | 106.8° | 106.8° |
C23 | FE | C30 | 112.2° | 112.2° |
FE | C23 | C22 | 127.2° | 127.2° |
FE | C23 | C24 | 69.3° | 69.3° |
FE | C23 | C27 | 69.3° | 69.3° |
C23 | FE | C31 | 144.2° | 144.2° |
C23 | FE | C32 | 172.2° | 172.2° |
C24 | FE | C25 | 40.4° | 40.4° |
C24 | FE | C26 | 67.9° | 67.9° |
C24 | FE | C27 | 67.9° | 67.9° |
C24 | FE | C28 | 105.8° | 105.8° |
C24 | FE | C29 | 106.9° | 106.9° |
C24 | FE | C30 | 137.9° | 137.9° |
FE | C24 | C23 | 70.2° | 70.2° |
FE | C24 | C25 | 69.3° | 69.3° |
C24 | FE | C31 | 173.0° | 173.0° |
C24 | FE | C32 | 134.6° | 134.6° |
C25 | FE | C26 | 40.6° | 40.6° |
C25 | FE | C27 | 68.3° | 68.3° |
C25 | FE | C28 | 109.8° | 109.8° |
C25 | FE | C29 | 136.4° | 136.4° |
C25 | FE | C30 | 176.9° | 176.9° |
FE | C25 | C24 | 70.3° | 70.3° |
FE | C25 | C26 | 69.3° | 69.3° |
C25 | FE | C31 | 141.0° | 141.0° |
C25 | FE | C32 | 111.7° | 111.7° |
C26 | FE | C27 | 40.6° | 40.6° |
C26 | FE | C28 | 142.0° | 142.0° |
C26 | FE | C29 | 174.3° | 174.3° |
C26 | FE | C30 | 142.5° | 142.5° |
FE | C26 | C25 | 70.1° | 70.1° |
FE | C26 | C27 | 70.4° | 70.4° |
C26 | FE | C31 | 117.8° | 117.8° |
C26 | FE | C32 | 117.4° | 117.4° |
C27 | FE | C28 | 172.6° | 172.6° |
C27 | FE | C29 | 136.3° | 136.3° |
C27 | FE | C30 | 114.1° | 114.1° |
FE | C27 | C23 | 70.4° | 70.4° |
FE | C27 | C26 | 69.0° | 69.0° |
C27 | FE | C31 | 119.1° | 119.1° |
C27 | FE | C32 | 147.5° | 147.5° |
C28 | FE | C29 | 40.2° | 40.2° |
C28 | FE | C30 | 67.6° | 67.6° |
FE | C28 | C29 | 69.5° | 69.5° |
FE | C28 | C32 | 70.4° | 70.4° |
C28 | FE | C31 | 67.1° | 67.1° |
C28 | FE | C32 | 39.9° | 39.9° |
FE | C28 | H37 | 113.0° | 113.0° |
C29 | FE | C30 | 40.5° | 40.5° |
FE | C29 | C28 | 70.3° | 70.3° |
FE | C29 | C30 | 69.7° | 69.7° |
C29 | FE | C31 | 67.6° | 67.6° |
C29 | FE | C32 | 67.6° | 67.6° |
FE | C30 | C29 | 69.8° | 69.8° |
FE | C30 | C31 | 70.5° | 70.5° |
C30 | FE | C31 | 40.1° | 40.1° |
C30 | FE | C32 | 67.5° | 67.5° |
C12 | C1 | N31 | 115.0° | 115.0° |
C1 | C12 | C13 | 115.4° | 115.4° |
C12 | C1 | H1 | 108.1° | 108.1° |
C12 | C1 | H2 | 108.1° | 108.1° |
C1 | C12 | H19 | 108.0° | 108.0° |
C1 | C12 | H20 | 108.0° | 108.0° |
C1 | N31 | C11 | 109.5° | 109.5° |
N31 | C1 | H1 | 108.1° | 108.1° |
N31 | C1 | H2 | 108.1° | 108.1° |
C1 | N31 | H38 | 125.3° | 125.3° |
C3 | N1 | C5 | 111.8° | 111.8° |
N1 | C3 | N2 | 108.3° | 108.3° |
N1 | C3 | O3 | 124.0° | 124.0° |
C3 | N1 | H3 | 124.1° | 124.1° |
N1 | C5 | C4 | 102.5° | 102.5° |
N1 | C5 | C6 | 110.4° | 110.4° |
C5 | N1 | H3 | 124.1° | 124.1° |
N1 | C5 | H8 | 111.5° | 111.5° |
C2 | S1 | C6 | 96.5° | 96.5° |
S1 | C2 | C4 | 108.1° | 108.1° |
S1 | C2 | C7 | 116.8° | 116.8° |
S1 | C2 | H4 | 103.6° | 103.6° |
S1 | C6 | C5 | 110.7° | 110.7° |
S1 | C6 | H9 | 109.2° | 109.2° |
S1 | C6 | H10 | 109.2° | 109.2° |
C4 | C2 | C7 | 115.2° | 115.2° |
C2 | C4 | N2 | 119.8° | 119.8° |
C2 | C4 | C5 | 110.6° | 110.6° |
C4 | C2 | H4 | 105.9° | 105.9° |
C2 | C4 | H7 | 107.0° | 107.0° |
C2 | C7 | C8 | 109.4° | 109.4° |
C7 | C2 | H4 | 106.0° | 106.0° |
C2 | C7 | H11 | 109.5° | 109.5° |
C2 | C7 | H12 | 109.5° | 109.5° |
C3 | N2 | C4 | 109.1° | 109.1° |
N2 | C3 | O3 | 127.7° | 127.7° |
C3 | N2 | H5 | 125.5° | 125.5° |
N2 | C4 | C5 | 103.5° | 103.5° |
C4 | N2 | H5 | 125.4° | 125.4° |
N2 | C4 | H7 | 108.1° | 108.0° |
C16 | N3 | C17 | 124.9° | 124.9° |
N3 | C16 | C15 | 116.7° | 116.7° |
N3 | C16 | O16 | 121.4° | 121.4° |
C16 | N3 | H6 | 117.5° | 117.5° |
N3 | C17 | C18 | 112.6° | 112.6° |
C17 | N3 | H6 | 117.6° | 117.6° |
N3 | C17 | H27 | 108.7° | 108.7° |
N3 | C17 | H28 | 108.7° | 108.7° |
C4 | C5 | C6 | 111.7° | 111.7° |
C5 | C4 | H7 | 107.3° | 107.3° |
C4 | C5 | H8 | 110.2° | 110.2° |
C6 | C5 | H8 | 110.4° | 110.4° |
C5 | C6 | H9 | 109.2° | 109.2° |
C5 | C6 | H10 | 109.2° | 109.2° |
C7 | C8 | C9 | 113.9° | 113.9° |
C8 | C7 | H11 | 109.5° | 109.5° |
C8 | C7 | H12 | 109.5° | 109.5° |
C7 | C8 | H13 | 108.4° | 108.4° |
C7 | C8 | H14 | 108.4° | 108.4° |
C8 | C9 | C10 | 109.4° | 109.4° |
C9 | C8 | H13 | 108.4° | 108.4° |
C9 | C8 | H14 | 108.4° | 108.4° |
C8 | C9 | H15 | 109.5° | 109.5° |
C8 | C9 | H16 | 109.5° | 109.5° |
C9 | C10 | C11 | 109.1° | 109.1° |
C10 | C9 | H15 | 109.5° | 109.5° |
C10 | C9 | H16 | 109.5° | 109.5° |
C9 | C10 | H17 | 109.6° | 109.6° |
C9 | C10 | H18 | 109.5° | 109.5° |
C10 | C11 | O11 | 120.2° | 120.2° |
C10 | C11 | N31 | 120.8° | 120.8° |
C11 | C10 | H17 | 109.6° | 109.6° |
C11 | C10 | H18 | 109.6° | 109.6° |
O11 | C11 | N31 | 118.9° | 118.9° |
C11 | N31 | H38 | 125.3° | 125.3° |
C12 | C13 | C14 | 112.1° | 112.1° |
C13 | C12 | H19 | 108.0° | 108.0° |
C13 | C12 | H20 | 108.0° | 108.0° |
C12 | C13 | H21 | 108.8° | 108.8° |
C12 | C13 | H22 | 108.8° | 108.8° |
C13 | C14 | C15 | 117.3° | 117.3° |
C14 | C13 | H21 | 108.8° | 108.8° |
C14 | C13 | H22 | 108.8° | 108.8° |
C13 | C14 | H23 | 107.5° | 107.5° |
C13 | C14 | H24 | 107.5° | 107.5° |
C14 | C15 | C16 | 114.1° | 114.1° |
C15 | C14 | H23 | 107.5° | 107.5° |
C15 | C14 | H24 | 107.5° | 107.5° |
C14 | C15 | H25 | 108.3° | 108.3° |
C14 | C15 | H26 | 108.3° | 108.3° |
C15 | C16 | O16 | 121.9° | 121.9° |
C16 | C15 | H25 | 108.3° | 108.3° |
C16 | C15 | H26 | 108.3° | 108.3° |
C17 | C18 | C19 | 114.4° | 114.4° |
C18 | C17 | H27 | 108.7° | 108.7° |
C18 | C17 | H28 | 108.7° | 108.7° |
C17 | C18 | H29 | 108.2° | 108.2° |
C17 | C18 | H30 | 108.2° | 108.2° |
C18 | C19 | C20 | 117.9° | 117.9° |
C19 | C18 | H29 | 108.2° | 108.2° |
C19 | C18 | H30 | 108.2° | 108.3° |
C18 | C19 | H31 | 107.3° | 107.3° |
C18 | C19 | H32 | 107.3° | 107.3° |
C19 | C20 | C21 | 115.5° | 115.5° |
C20 | C19 | H31 | 107.3° | 107.3° |
C20 | C19 | H32 | 107.3° | 107.3° |
C19 | C20 | H33 | 108.0° | 107.9° |
C19 | C20 | H34 | 107.9° | 107.9° |
C20 | C21 | C22 | 114.7° | 114.7° |
C21 | C20 | H33 | 107.9° | 108.0° |
C21 | C20 | H34 | 108.0° | 108.0° |
C20 | C21 | H35 | 108.2° | 108.2° |
C20 | C21 | H36 | 108.1° | 108.1° |
C21 | C22 | O22 | 120.8° | 120.8° |
C21 | C22 | C23 | 119.7° | 119.7° |
C22 | C21 | H35 | 108.1° | 108.1° |
C22 | C21 | H36 | 108.2° | 108.2° |
O22 | C22 | C23 | 119.5° | 119.5° |
C22 | C23 | C24 | 125.9° | 125.9° |
C22 | C23 | C27 | 126.6° | 126.6° |
C24 | C23 | C27 | 107.5° | 107.5° |
C23 | C24 | C25 | 108.4° | 108.4° |
C23 | C27 | C26 | 107.9° | 107.9° |
C24 | C25 | C26 | 107.5° | 107.5° |
C25 | C26 | C27 | 108.7° | 108.7° |
C29 | C28 | C32 | 108.5° | 108.5° |
C28 | C29 | C30 | 107.5° | 107.5° |
C29 | C28 | H37 | 124.7° | 124.7° |
C28 | C32 | C31 | 107.7° | 107.7° |
C28 | C32 | FE | 69.7° | 69.7° |
C32 | C28 | H37 | 124.8° | 124.8° |
C29 | C30 | C31 | 108.0° | 108.0° |
C30 | C31 | C32 | 108.3° | 108.3° |
C30 | C31 | FE | 69.4° | 69.4° |
C32 | C31 | FE | 70.4° | 70.4° |
C31 | C32 | FE | 69.7° | 69.7° |
C31 | FE | C32 | 40.0° | 40.0° |
H1 | C1 | H2 | 109.4° | 109.4° |
H9 | C6 | H10 | 109.4° | 109.4° |
H11 | C7 | H12 | 109.4° | 109.4° |
H13 | C8 | H14 | 109.4° | 109.4° |
H15 | C9 | H16 | 109.4° | 109.4° |
H17 | C10 | H18 | 109.5° | 109.5° |
H19 | C12 | H20 | 109.5° | 109.5° |
H21 | C13 | H22 | 109.5° | 109.5° |
H23 | C14 | H24 | 109.5° | 109.5° |
H25 | C15 | H26 | 109.5° | 109.4° |
H27 | C17 | H28 | 109.5° | 109.5° |
H29 | C18 | H30 | 109.5° | 109.5° |
H31 | C19 | H32 | 109.5° | 109.5° |
H33 | C20 | H34 | 109.4° | 109.5° |
H35 | C21 | H36 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | FE | C24 | C25 | 119.6° | 119.6° |
C23 | FE | C24 | C26 | 81.5° | 81.5° |
C23 | FE | C24 | C27 | 37.6° | 37.6° |
C23 | FE | C24 | C28 | 138.2° | 138.2° |
C23 | FE | C24 | C29 | 96.2° | 96.2° |
C23 | FE | C24 | C30 | 64.4° | 64.4° |
C23 | FE | C24 | C31 | 134.4° | 134.4° |
C23 | FE | C24 | C32 | 171.2° | 171.2° |
C23 | FE | C25 | C26 | 81.1° | 81.1° |
C23 | FE | C25 | C27 | 43.5° | 43.5° |
C23 | FE | C25 | C28 | 128.8° | 128.8° |
C23 | FE | C25 | C29 | 91.8° | 91.8° |
C23 | FE | C25 | C30 | 97.4° | 97.4° |
C23 | FE | C25 | C31 | 153.4° | 153.4° |
C23 | FE | C25 | C32 | 171.6° | 171.6° |
C23 | FE | C26 | C27 | 37.5° | 37.5° |
C23 | FE | C26 | C28 | 131.4° | 131.4° |
C23 | FE | C26 | C29 | 21.5° | 21.5° |
C23 | FE | C26 | C30 | 98.1° | 98.1° |
C23 | FE | C26 | C31 | 140.8° | 140.8° |
C23 | FE | C26 | C32 | 173.8° | 173.8° |
C23 | FE | C27 | C28 | 4.9° | 4.9° |
C23 | FE | C27 | C29 | 53.9° | 53.9° |
C23 | FE | C27 | C30 | 96.4° | 96.4° |
C23 | FE | C27 | C31 | 141.1° | 141.1° |
C23 | FE | C27 | C32 | 178.2° | 178.2° |
C23 | FE | C28 | C29 | 61.8° | 61.8° |
C23 | FE | C28 | C30 | 100.1° | 100.1° |
C23 | FE | C28 | C31 | 143.7° | 143.7° |
C23 | FE | C28 | C32 | 178.7° | 178.7° |
C23 | FE | C29 | C30 | 104.7° | 104.7° |
C23 | FE | C29 | C31 | 142.3° | 142.3° |
C23 | FE | C29 | C32 | 174.3° | 174.3° |
C23 | FE | C30 | C31 | 151.1° | 151.1° |
C23 | FE | C30 | C32 | 171.6° | 171.6° |
FE | C23 | C22 | C21 | 104.2° | 104.2° |
FE | C23 | C22 | O22 | 75.6° | 75.6° |
FE | C23 | C22 | C24 | 90.1° | 90.1° |
FE | C23 | C22 | C27 | 90.6° | 90.6° |
C23 | FE | C31 | C32 | 169.2° | 169.2° |
C23 | FE | C28 | H37 | 58.3° | 58.3° |
C24 | FE | C25 | C26 | 118.5° | 118.5° |
C24 | FE | C25 | C27 | 80.9° | 80.9° |
C24 | FE | C25 | C28 | 91.4° | 91.4° |
C24 | FE | C25 | C29 | 54.4° | 54.4° |
C24 | FE | C25 | C30 | 60.0° | 60.0° |
C24 | FE | C25 | C31 | 169.2° | 169.2° |
C24 | FE | C25 | C32 | 134.2° | 134.2° |
C24 | FE | C26 | C27 | 81.3° | 81.3° |
C24 | FE | C26 | C28 | 87.6° | 87.6° |
C24 | FE | C26 | C29 | 22.3° | 22.3° |
C24 | FE | C26 | C30 | 141.9° | 141.9° |
C24 | FE | C26 | C31 | 175.3° | 175.3° |
C24 | FE | C26 | C32 | 130.0° | 130.0° |
C24 | FE | C27 | C28 | 32.9° | 32.9° |
C24 | FE | C27 | C29 | 91.6° | 91.6° |
C24 | FE | C27 | C30 | 134.1° | 134.1° |
C24 | FE | C27 | C31 | 178.9° | 178.9° |
C24 | FE | C27 | C32 | 140.4° | 140.4° |
C24 | FE | C28 | C29 | 97.6° | 97.6° |
C24 | FE | C28 | C30 | 135.9° | 135.9° |
C24 | FE | C28 | C31 | 179.5° | 179.5° |
C24 | FE | C28 | C32 | 142.9° | 142.9° |
C24 | FE | C29 | C30 | 147.0° | 147.0° |
C24 | FE | C29 | C31 | 175.3° | 175.3° |
C24 | FE | C29 | C32 | 131.9° | 131.9° |
C24 | FE | C30 | C31 | 169.7° | 169.7° |
C24 | FE | C30 | C32 | 132.4° | 132.4° |
C24 | FE | C31 | C32 | 41.6° | 41.6° |
C24 | FE | C28 | H37 | 22.5° | 22.5° |
C25 | FE | C26 | C27 | 119.3° | 119.3° |
C25 | FE | C26 | C28 | 49.6° | 49.6° |
C25 | FE | C26 | C29 | 60.3° | 60.3° |
C25 | FE | C26 | C30 | 179.9° | 179.9° |
C25 | FE | C26 | C31 | 137.4° | 137.4° |
C25 | FE | C26 | C32 | 92.0° | 92.0° |
C25 | FE | C27 | C28 | 76.6° | 76.6° |
C25 | FE | C27 | C29 | 135.4° | 135.4° |
C25 | FE | C27 | C30 | 177.9° | 177.9° |
C25 | FE | C27 | C31 | 137.4° | 137.4° |
C25 | FE | C27 | C32 | 96.7° | 96.7° |
C25 | FE | C28 | C29 | 140.0° | 140.0° |
C25 | FE | C28 | C30 | 178.2° | 178.2° |
C25 | FE | C28 | C31 | 138.1° | 138.1° |
C25 | FE | C28 | C32 | 100.5° | 100.5° |
C25 | FE | C29 | C30 | 179.5° | 179.5° |
C25 | FE | C29 | C31 | 141.9° | 141.9° |
C25 | FE | C29 | C32 | 98.5° | 98.5° |
C25 | FE | C30 | C31 | 112.7° | 112.7° |
C25 | FE | C30 | C32 | 75.4° | 75.4° |
C25 | FE | C23 | C22 | 157.4° | 157.4° |
C25 | FE | C31 | C32 | 56.0° | 56.0° |
C25 | FE | C28 | H37 | 19.9° | 19.9° |
C26 | FE | C27 | C28 | 114.2° | 114.2° |
C26 | FE | C27 | C29 | 173.0° | 173.0° |
C26 | FE | C27 | C30 | 144.5° | 144.5° |
C26 | FE | C27 | C31 | 99.8° | 99.8° |
C26 | FE | C27 | C32 | 59.1° | 59.1° |
C26 | FE | C28 | C29 | 171.8° | 171.8° |
C26 | FE | C28 | C30 | 150.0° | 150.0° |
C26 | FE | C28 | C31 | 106.4° | 106.4° |
C26 | FE | C28 | C32 | 68.7° | 68.7° |
C26 | FE | C29 | C30 | 125.5° | 125.5° |
C26 | FE | C29 | C31 | 163.1° | 163.1° |
C26 | FE | C29 | C32 | 153.5° | 153.5° |
C26 | FE | C30 | C31 | 68.9° | 68.9° |
C26 | FE | C30 | C32 | 106.2° | 106.2° |
C26 | FE | C23 | C22 | 158.7° | 158.7° |
C26 | FE | C31 | C32 | 100.5° | 100.5° |
C26 | FE | C28 | H37 | 51.7° | 51.7° |
C27 | FE | C28 | C29 | 66.1° | 66.1° |
C27 | FE | C28 | C30 | 104.4° | 104.4° |
C27 | FE | C28 | C31 | 148.0° | 148.0° |
C27 | FE | C28 | C32 | 174.4° | 174.4° |
C27 | FE | C29 | C30 | 71.6° | 71.6° |
C27 | FE | C29 | C31 | 109.3° | 109.3° |
C27 | FE | C29 | C32 | 152.7° | 152.7° |
C27 | FE | C30 | C31 | 107.2° | 107.2° |
C27 | FE | C30 | C32 | 144.5° | 144.5° |
C27 | FE | C31 | C32 | 146.9° | 146.9° |
C27 | FE | C28 | H37 | 54.0° | 54.0° |
C28 | FE | C29 | C30 | 118.2° | 118.2° |
C28 | FE | C29 | C31 | 80.6° | 80.6° |
C28 | FE | C29 | C32 | 37.2° | 37.2° |
C28 | FE | C30 | C31 | 80.7° | 80.7° |
C28 | FE | C30 | C32 | 43.4° | 43.4° |
C28 | FE | C23 | C22 | 60.0° | 60.0° |
FE | C28 | C29 | H37 | 104.4° | 104.4° |
FE | C28 | C32 | H37 | 104.9° | 104.9° |
C28 | FE | C31 | C32 | 37.6° | 37.6° |
C29 | FE | C30 | C31 | 118.7° | 118.7° |
C29 | FE | C30 | C32 | 81.4° | 81.4° |
C29 | FE | C23 | C22 | 23.5° | 23.5° |
C29 | FE | C31 | C32 | 81.3° | 81.3° |
C30 | FE | C23 | C22 | 19.2° | 19.2° |
C30 | FE | C31 | C32 | 119.4° | 119.4° |
C30 | FE | C28 | H37 | 158.4° | 158.4° |
C12 | C1 | N31 | H1 | 120.8° | 120.8° |
C12 | C1 | N31 | H2 | 120.8° | 120.8° |
C12 | C1 | N31 | C11 | 142.7° | 142.7° |
C1 | C12 | C13 | H19 | 120.9° | 120.9° |
C1 | C12 | C13 | H20 | 120.9° | 120.9° |
C1 | C12 | C13 | C14 | 101.1° | 101.1° |
C12 | C1 | H1 | H2 | 117.5° | 117.5° |
C1 | C12 | H19 | H20 | 117.3° | 117.3° |
C1 | C12 | C13 | H21 | 138.5° | 138.5° |
C1 | C12 | C13 | H22 | 19.3° | 19.3° |
C12 | C1 | N31 | H38 | 37.4° | 37.4° |
C1 | N31 | C11 | C10 | 179.1° | 179.1° |
C1 | N31 | C11 | O11 | 0.2° | 0.2° |
C1 | N31 | C11 | H38 | 180.0° | 180.0° |
N31 | C1 | C12 | C13 | 176.3° | 176.3° |
N31 | C1 | H1 | H2 | 117.5° | 117.5° |
N31 | C1 | C12 | H19 | 62.9° | 62.9° |
N31 | C1 | C12 | H20 | 55.4° | 55.4° |
C3 | N1 | C5 | H3 | 180.0° | 180.0° |
N1 | C3 | N2 | O3 | 179.5° | 179.5° |
N1 | C3 | N2 | C4 | 22.8° | 22.8° |
C3 | N1 | C5 | C4 | 11.3° | 11.3° |
C3 | N1 | C5 | C6 | 130.4° | 130.4° |
N1 | C3 | N2 | H5 | 157.2° | 157.3° |
C3 | N1 | C5 | H8 | 106.6° | 106.6° |
N1 | C5 | C6 | S1 | 117.7° | 117.7° |
N1 | C5 | C4 | C2 | 131.9° | 131.9° |
C5 | N1 | C3 | N2 | 21.6° | 21.6° |
N1 | C5 | C4 | N2 | 2.3° | 2.3° |
C5 | N1 | C3 | O3 | 157.8° | 157.8° |
N1 | C5 | C4 | C6 | 118.2° | 118.2° |
N1 | C5 | C4 | H8 | 118.7° | 118.7° |
N1 | C5 | C6 | H8 | 123.7° | 123.7° |
N1 | C5 | C4 | H7 | 111.8° | 111.7° |
N1 | C5 | C6 | H9 | 2.5° | 2.5° |
N1 | C5 | C6 | H10 | 122.1° | 122.1° |
S1 | C2 | C4 | C7 | 132.7° | 132.7° |
S1 | C2 | C4 | H4 | 110.5° | 110.5° |
S1 | C2 | C7 | H4 | 114.8° | 114.8° |
S1 | C2 | C4 | N2 | 103.5° | 103.5° |
S1 | C2 | C4 | C5 | 16.6° | 16.6° |
C2 | S1 | C6 | C5 | 5.0° | 5.0° |
S1 | C2 | C7 | C8 | 79.4° | 79.4° |
S1 | C2 | C4 | H7 | 133.2° | 133.2° |
C2 | S1 | C6 | H9 | 125.1° | 125.1° |
C2 | S1 | C6 | H10 | 115.2° | 115.2° |
S1 | C2 | C7 | H11 | 40.6° | 40.6° |
S1 | C2 | C7 | H12 | 160.6° | 160.6° |
C6 | S1 | C2 | C4 | 12.5° | 12.5° |
C6 | S1 | C2 | C7 | 144.4° | 144.4° |
S1 | C6 | C5 | C4 | 4.4° | 4.4° |
S1 | C6 | C5 | H9 | 120.2° | 120.2° |
S1 | C6 | C5 | H10 | 120.2° | 120.2° |
C6 | S1 | C2 | H4 | 99.5° | 99.5° |
S1 | C6 | C5 | H8 | 118.6° | 118.6° |
S1 | C6 | H9 | H10 | 119.4° | 119.4° |
C4 | C2 | C7 | H4 | 116.7° | 116.7° |
C2 | C4 | N2 | C3 | 138.7° | 138.7° |
C2 | C4 | N2 | C5 | 123.7° | 123.7° |
C2 | C4 | N2 | H7 | 122.8° | 122.8° |
C2 | C4 | C5 | H7 | 116.4° | 116.4° |
C2 | C4 | C5 | C6 | 13.7° | 13.7° |
C4 | C2 | C7 | C8 | 152.1° | 152.1° |
C2 | C4 | N2 | H5 | 41.3° | 41.4° |
C2 | C4 | C5 | H8 | 109.4° | 109.4° |
C4 | C2 | C7 | H11 | 87.9° | 87.9° |
C4 | C2 | C7 | H12 | 32.1° | 32.1° |
C7 | C2 | C4 | N2 | 29.2° | 29.2° |
C7 | C2 | C4 | C5 | 149.4° | 149.4° |
C2 | C7 | C8 | H11 | 120.0° | 120.0° |
C2 | C7 | C8 | H12 | 120.0° | 120.0° |
C2 | C7 | C8 | C9 | 169.7° | 169.7° |
C7 | C2 | C4 | H7 | 94.1° | 94.0° |
C2 | C7 | H11 | H12 | 120.0° | 120.0° |
C2 | C7 | C8 | H13 | 69.6° | 69.6° |
C2 | C7 | C8 | H14 | 49.0° | 49.0° |
C3 | N2 | C4 | H5 | 180.0° | 180.0° |
C3 | N2 | C4 | C5 | 15.0° | 15.0° |
N2 | C3 | N1 | H3 | 158.3° | 158.3° |
C3 | N2 | C4 | H7 | 98.5° | 98.6° |
C4 | N2 | C3 | O3 | 156.7° | 156.7° |
N2 | C4 | C5 | H7 | 114.1° | 114.1° |
N2 | C4 | C5 | C6 | 115.9° | 115.9° |
N2 | C4 | C2 | H4 | 146.0° | 146.0° |
N2 | C4 | C5 | H8 | 121.1° | 121.1° |
O3 | C3 | N1 | H3 | 22.2° | 22.2° |
O3 | C3 | N2 | H5 | 23.3° | 23.3° |
C16 | N3 | C17 | H6 | 180.0° | 180.0° |
N3 | C16 | C15 | C14 | 59.1° | 59.1° |
N3 | C16 | C15 | O16 | 179.1° | 179.1° |
C16 | N3 | C17 | C18 | 105.4° | 105.4° |
N3 | C16 | C15 | H25 | 61.5° | 61.5° |
N3 | C16 | C15 | H26 | 179.8° | 179.9° |
C16 | N3 | C17 | H27 | 15.1° | 15.1° |
C16 | N3 | C17 | H28 | 134.2° | 134.2° |
C17 | N3 | C16 | C15 | 178.9° | 178.9° |
C17 | N3 | C16 | O16 | 0.3° | 0.3° |
N3 | C17 | C18 | H27 | 120.5° | 120.5° |
N3 | C17 | C18 | H28 | 120.5° | 120.5° |
N3 | C17 | C18 | C19 | 63.3° | 63.3° |
N3 | C17 | H27 | H28 | 118.5° | 118.6° |
N3 | C17 | C18 | H29 | 57.4° | 57.4° |
N3 | C17 | C18 | H30 | 176.0° | 175.9° |
C4 | C5 | C6 | H8 | 123.0° | 123.0° |
C4 | C5 | N1 | H3 | 168.7° | 168.7° |
C5 | C4 | C2 | H4 | 93.8° | 93.8° |
C5 | C4 | N2 | H5 | 165.0° | 165.1° |
C4 | C5 | C6 | H9 | 115.8° | 115.8° |
C4 | C5 | C6 | H10 | 124.6° | 124.6° |
C6 | C5 | N1 | H3 | 49.6° | 49.6° |
C6 | C5 | C4 | H7 | 130.0° | 130.1° |
C5 | C6 | H9 | H10 | 119.4° | 119.4° |
C7 | C8 | C9 | H13 | 120.7° | 120.7° |
C7 | C8 | C9 | H14 | 120.7° | 120.6° |
C7 | C8 | C9 | C10 | 146.1° | 146.1° |
C8 | C7 | C2 | H4 | 35.4° | 35.4° |
C8 | C7 | H11 | H12 | 120.0° | 120.0° |
C7 | C8 | H13 | H14 | 118.0° | 118.0° |
C7 | C8 | C9 | H15 | 26.1° | 26.1° |
C7 | C8 | C9 | H16 | 93.9° | 93.9° |
C8 | C9 | C10 | H15 | 120.0° | 120.0° |
C8 | C9 | C10 | H16 | 120.0° | 120.0° |
C8 | C9 | C10 | C11 | 57.8° | 57.8° |
C9 | C8 | C7 | H11 | 49.7° | 49.7° |
C9 | C8 | C7 | H12 | 70.3° | 70.3° |
C9 | C8 | H13 | H14 | 118.0° | 118.0° |
C8 | C9 | H15 | H16 | 120.0° | 120.0° |
C8 | C9 | C10 | H17 | 62.1° | 62.1° |
C8 | C9 | C10 | H18 | 177.8° | 177.8° |
C9 | C10 | C11 | H17 | 119.9° | 119.9° |
C9 | C10 | C11 | H18 | 119.9° | 119.9° |
C9 | C10 | C11 | O11 | 163.3° | 163.3° |
C9 | C10 | C11 | N31 | 16.0° | 16.0° |
C10 | C9 | C8 | H13 | 93.2° | 93.2° |
C10 | C9 | C8 | H14 | 25.4° | 25.5° |
C10 | C9 | H15 | H16 | 120.0° | 120.0° |
C9 | C10 | H17 | H18 | 120.2° | 120.2° |
C10 | C11 | O11 | N31 | 179.3° | 179.3° |
C11 | C10 | C9 | H15 | 177.8° | 177.8° |
C11 | C10 | C9 | H16 | 62.2° | 62.2° |
C11 | C10 | H17 | H18 | 120.2° | 120.2° |
C10 | C11 | N31 | H38 | 0.9° | 0.9° |
O11 | C11 | C10 | H17 | 76.7° | 76.7° |
O11 | C11 | C10 | H18 | 43.4° | 43.4° |
O11 | C11 | N31 | H38 | 179.8° | 179.8° |
C11 | N31 | C1 | H1 | 21.9° | 21.9° |
C11 | N31 | C1 | H2 | 96.5° | 96.5° |
N31 | C11 | C10 | H17 | 103.9° | 103.9° |
N31 | C11 | C10 | H18 | 135.9° | 135.9° |
C12 | C13 | C14 | H21 | 120.4° | 120.4° |
C12 | C13 | C14 | H22 | 120.4° | 120.4° |
C12 | C13 | C14 | C15 | 46.3° | 46.3° |
C13 | C12 | C1 | H1 | 62.9° | 62.9° |
C13 | C12 | C1 | H2 | 55.4° | 55.4° |
C13 | C12 | H19 | H20 | 117.3° | 117.3° |
C12 | C13 | H21 | H22 | 118.8° | 118.8° |
C12 | C13 | C14 | H23 | 167.4° | 167.4° |
C12 | C13 | C14 | H24 | 74.8° | 74.8° |
C13 | C14 | C15 | H23 | 121.1° | 121.1° |
C13 | C14 | C15 | H24 | 121.1° | 121.1° |
C13 | C14 | C15 | C16 | 98.4° | 98.4° |
C14 | C13 | C12 | H19 | 19.8° | 19.8° |
C14 | C13 | C12 | H20 | 138.0° | 138.0° |
C14 | C13 | H21 | H22 | 118.8° | 118.8° |
C13 | C14 | H23 | H24 | 116.5° | 116.5° |
C13 | C14 | C15 | H25 | 22.3° | 22.3° |
C13 | C14 | C15 | H26 | 140.9° | 140.9° |
C14 | C15 | C16 | H25 | 120.7° | 120.7° |
C14 | C15 | C16 | H26 | 120.7° | 120.7° |
C14 | C15 | C16 | O16 | 121.7° | 121.7° |
C15 | C14 | C13 | H21 | 74.1° | 74.1° |
C15 | C14 | C13 | H22 | 166.7° | 166.7° |
C15 | C14 | H23 | H24 | 116.4° | 116.4° |
C14 | C15 | H25 | H26 | 117.9° | 117.9° |
C15 | C16 | N3 | H6 | 1.2° | 1.2° |
C16 | C15 | C14 | H23 | 140.5° | 140.5° |
C16 | C15 | C14 | H24 | 22.7° | 22.7° |
C16 | C15 | H25 | H26 | 117.9° | 117.9° |
O16 | C16 | N3 | H6 | 179.7° | 179.7° |
O16 | C16 | C15 | H25 | 117.6° | 117.6° |
O16 | C16 | C15 | H26 | 1.0° | 1.0° |
C17 | C18 | C19 | H29 | 120.7° | 120.7° |
C17 | C18 | C19 | H30 | 120.7° | 120.7° |
C17 | C18 | C19 | C20 | 98.3° | 98.3° |
C18 | C17 | N3 | H6 | 74.6° | 74.6° |
C18 | C17 | H27 | H28 | 118.6° | 118.5° |
C17 | C18 | H29 | H30 | 117.7° | 117.7° |
C17 | C18 | C19 | H31 | 140.5° | 140.5° |
C17 | C18 | C19 | H32 | 22.9° | 22.9° |
C18 | C19 | C20 | H31 | 121.2° | 121.2° |
C18 | C19 | C20 | H32 | 121.2° | 121.2° |
C18 | C19 | C20 | C21 | 95.8° | 95.8° |
C19 | C18 | C17 | H27 | 176.2° | 176.2° |
C19 | C18 | C17 | H28 | 57.1° | 57.1° |
C19 | C18 | H29 | H30 | 117.8° | 117.8° |
C18 | C19 | H31 | H32 | 116.2° | 116.2° |
C18 | C19 | C20 | H33 | 143.3° | 143.3° |
C18 | C19 | C20 | H34 | 25.1° | 25.1° |
C19 | C20 | C21 | H33 | 120.9° | 120.9° |
C19 | C20 | C21 | H34 | 120.9° | 120.9° |
C19 | C20 | C21 | C22 | 97.4° | 97.4° |
C20 | C19 | C18 | H29 | 22.4° | 22.4° |
C20 | C19 | C18 | H30 | 141.0° | 141.0° |
C20 | C19 | H31 | H32 | 116.2° | 116.2° |
C19 | C20 | H33 | H34 | 117.3° | 117.2° |
C19 | C20 | C21 | H35 | 141.9° | 141.9° |
C19 | C20 | C21 | H36 | 23.4° | 23.4° |
C20 | C21 | C22 | H35 | 120.8° | 120.8° |
C20 | C21 | C22 | H36 | 120.8° | 120.8° |
C20 | C21 | C22 | O22 | 73.7° | 73.7° |
C20 | C21 | C22 | C23 | 106.5° | 106.5° |
C21 | C20 | C19 | H31 | 25.4° | 25.4° |
C21 | C20 | C19 | H32 | 143.0° | 143.0° |
C21 | C20 | H33 | H34 | 117.3° | 117.3° |
C20 | C21 | H35 | H36 | 117.6° | 117.6° |
C21 | C22 | O22 | C23 | 179.8° | 179.8° |
C21 | C22 | C23 | C24 | 165.7° | 165.7° |
C21 | C22 | C23 | C27 | 13.6° | 13.6° |
C22 | C21 | C20 | H33 | 23.5° | 23.5° |
C22 | C21 | C20 | H34 | 141.8° | 141.8° |
C22 | C21 | H35 | H36 | 117.6° | 117.6° |
O22 | C22 | C23 | C24 | 14.5° | 14.5° |
O22 | C22 | C23 | C27 | 166.2° | 166.2° |
O22 | C22 | C21 | H35 | 165.5° | 165.5° |
O22 | C22 | C21 | H36 | 47.1° | 47.1° |
C22 | C23 | C24 | C27 | 179.4° | 179.4° |
C22 | C23 | C24 | C25 | 179.4° | 179.4° |
C22 | C23 | C27 | C26 | 179.4° | 179.4° |
C22 | C23 | FE | C31 | 51.3° | 51.3° |
C22 | C23 | FE | C32 | 66.3° | 66.3° |
C23 | C22 | C21 | H35 | 14.3° | 14.3° |
C23 | C22 | C21 | H36 | 132.8° | 132.8° |
C23 | C24 | C25 | C26 | 0.0° | 0.0° |
C24 | C23 | C27 | C26 | 0.0° | 0.0° |
C27 | C23 | C24 | C25 | 0.0° | 0.0° |
C23 | C27 | C26 | C25 | 0.0° | 0.0° |
C24 | C25 | C26 | C27 | 0.0° | 0.0° |
C29 | C28 | C32 | H37 | 164.2° | 164.2° |
C28 | C29 | C30 | C31 | 0.0° | 0.0° |
C29 | C28 | C32 | C31 | 0.3° | 0.3° |
C32 | C28 | C29 | C30 | 0.2° | 0.2° |
C28 | C32 | C31 | C30 | 0.3° | 0.3° |
C29 | C30 | C31 | C32 | 0.2° | 0.2° |
C30 | C29 | C28 | H37 | 164.4° | 164.4° |
C31 | C32 | C28 | H37 | 164.5° | 164.5° |
C31 | FE | C28 | H37 | 158.0° | 158.0° |
H1 | C1 | C12 | H19 | 57.9° | 57.9° |
H1 | C1 | C12 | H20 | 176.2° | 176.2° |
H1 | C1 | N31 | H38 | 158.1° | 158.1° |
H2 | C1 | C12 | H19 | 176.3° | 176.3° |
H2 | C1 | C12 | H20 | 65.4° | 65.4° |
H2 | C1 | N31 | H38 | 83.5° | 83.5° |
H3 | N1 | C5 | H8 | 73.5° | 73.5° |
H4 | C2 | C4 | H7 | 22.7° | 22.8° |
H4 | C2 | C7 | H11 | 155.4° | 155.4° |
H4 | C2 | C7 | H12 | 84.6° | 84.6° |
H5 | N2 | C4 | H7 | 81.5° | 81.4° |
H6 | N3 | C17 | H27 | 164.9° | 164.9° |
H6 | N3 | C17 | H28 | 45.8° | 45.8° |
H7 | C4 | C5 | H8 | 7.0° | 7.0° |
H8 | C5 | C6 | H9 | 121.2° | 121.2° |
H8 | C5 | C6 | H10 | 1.6° | 1.6° |
H11 | C7 | C8 | H13 | 170.4° | 170.4° |
H11 | C7 | C8 | H14 | 71.0° | 71.0° |
H12 | C7 | C8 | H13 | 50.4° | 50.4° |
H12 | C7 | C8 | H14 | 169.0° | 169.1° |
H13 | C8 | C9 | H15 | 146.8° | 146.8° |
H13 | C8 | C9 | H16 | 26.8° | 26.8° |
H14 | C8 | C9 | H15 | 94.6° | 94.6° |
H14 | C8 | C9 | H16 | 145.4° | 145.4° |
H15 | C9 | C10 | H17 | 57.9° | 57.9° |
H15 | C9 | C10 | H18 | 62.2° | 62.2° |
H16 | C9 | C10 | H17 | 177.9° | 177.9° |
H16 | C9 | C10 | H18 | 57.8° | 57.8° |
H19 | C12 | C13 | H21 | 100.6° | 100.6° |
H19 | C12 | C13 | H22 | 140.2° | 140.2° |
H20 | C12 | C13 | H21 | 17.6° | 17.6° |
H20 | C12 | C13 | H22 | 101.5° | 101.5° |
H21 | C13 | C14 | H23 | 47.0° | 47.0° |
H21 | C13 | C14 | H24 | 164.8° | 164.8° |
H22 | C13 | C14 | H23 | 72.2° | 72.2° |
H22 | C13 | C14 | H24 | 45.6° | 45.6° |
H23 | C14 | C15 | H25 | 98.8° | 98.8° |
H23 | C14 | C15 | H26 | 19.8° | 19.8° |
H24 | C14 | C15 | H25 | 143.4° | 143.4° |
H24 | C14 | C15 | H26 | 97.9° | 98.0° |
H27 | C17 | C18 | H29 | 63.1° | 63.1° |
H27 | C17 | C18 | H30 | 55.5° | 55.4° |
H28 | C17 | C18 | H29 | 177.9° | 177.9° |
H28 | C17 | C18 | H30 | 63.5° | 63.6° |
H29 | C18 | C19 | H31 | 98.8° | 98.8° |
H29 | C18 | C19 | H32 | 143.6° | 143.6° |
H30 | C18 | C19 | H31 | 19.8° | 19.8° |
H30 | C18 | C19 | H32 | 97.8° | 97.8° |
H31 | C19 | C20 | H33 | 95.5° | 95.5° |
H31 | C19 | C20 | H34 | 146.3° | 146.3° |
H32 | C19 | C20 | H33 | 22.1° | 22.1° |
H32 | C19 | C20 | H34 | 96.1° | 96.1° |
H33 | C20 | C21 | H35 | 97.2° | 97.3° |
H33 | C20 | C21 | H36 | 144.3° | 144.3° |
H34 | C20 | C21 | H35 | 21.0° | 21.0° |
H34 | C20 | C21 | H36 | 97.5° | 97.5° |