F2I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C15 | sing | 1.45Å | 1.49Å | |
N1 | C8 | sing | 1.38Å | 1.40Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
C4 | C8 | sing | 1.48Å | 1.50Å | |
C4 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
C5 | C | doub | 1.39Å | 1.42Å | Aromatic |
C5 | H5 | sing | 1.09Å | 1.08Å | |
C6 | O | doub | 1.24Å | 1.22Å | |
C6 | N | sing | 1.41Å | 1.44Å | |
C6 | C | sing | 1.45Å | 1.52Å | |
C7 | C2 | sing | 1.49Å | 1.51Å | |
C7 | H71 | sing | 1.10Å | 1.10Å | |
C7 | H72 | sing | 1.10Å | 1.10Å | |
C7 | H73 | sing | 1.10Å | 1.10Å | |
C8 | O1 | doub | 1.23Å | 1.22Å | |
C10 | N | sing | 1.46Å | 1.48Å | |
C10 | C13 | sing | 1.52Å | 1.54Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C13 | C14 | sing | 1.52Å | 1.54Å | |
C13 | H131 | sing | 1.10Å | 1.10Å | |
C13 | H132 | sing | 1.10Å | 1.10Å | |
C15 | C17 | sing | 1.54Å | 1.55Å | |
C15 | C16 | sing | 1.54Å | 1.54Å | |
C15 | H15 | sing | 1.10Å | 1.10Å | |
C17 | C28 | sing | 1.51Å | 1.53Å | |
C17 | H171 | sing | 1.10Å | 1.10Å | |
C17 | H172 | sing | 1.10Å | 1.10Å | |
C20 | C19 | sing | 1.50Å | 1.55Å | |
C20 | C25 | sing | 1.39Å | 1.44Å | Aromatic |
C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
C21 | H21 | sing | 1.09Å | 1.08Å | |
C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
C22 | H22 | sing | 1.09Å | 1.08Å | |
C24 | I | sing | 2.08Å | 2.10Å | |
C24 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
C24 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
C26 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
C26 | C31 | sing | 1.39Å | 1.42Å | Aromatic |
C26 | F | sing | 1.34Å | 1.32Å | |
C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
C28 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
C | C1 | sing | 1.39Å | 1.42Å | Aromatic |
C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.08Å | |
C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
C3 | H3 | sing | 1.09Å | 1.08Å | |
N | C9 | sing | 1.46Å | 1.49Å | |
C9 | C11 | sing | 1.52Å | 1.54Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.52Å | 1.53Å | |
C11 | H111 | sing | 1.10Å | 1.10Å | |
C11 | H112 | sing | 1.10Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H123 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C14 | H143 | sing | 1.09Å | 1.10Å | |
C16 | O2 | sing | 1.43Å | 1.40Å | |
C16 | C18 | sing | 1.53Å | 1.52Å | |
C16 | H16 | sing | 1.10Å | 1.10Å | |
C18 | N2 | sing | 1.48Å | 1.46Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.10Å | 1.10Å | |
N2 | C19 | sing | 1.45Å | 1.46Å | |
N2 | HN2 | sing | 1.01Å | 1.00Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.10Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.08Å | |
C25 | H25 | sing | 1.09Å | 1.08Å | |
C27 | H27 | sing | 1.09Å | 1.08Å | |
C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
C29 | H29 | sing | 1.09Å | 1.08Å | |
C30 | F1 | sing | 1.34Å | 1.31Å | |
C30 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
C31 | H31 | sing | 1.09Å | 1.08Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | N1 | C8 | 125.8° | 122.3° |
C15 | N1 | HN1 | 117.1° | 116.8° |
N1 | C15 | C17 | 104.3° | 108.8° |
N1 | C15 | C16 | 112.6° | 110.7° |
N1 | C15 | H15 | 112.7° | 105.5° |
C8 | N1 | HN1 | 117.1° | 120.7° |
N1 | C8 | C4 | 116.6° | 115.7° |
N1 | C8 | O1 | 122.0° | 125.0° |
C5 | C4 | C8 | 118.4° | 118.9° |
C5 | C4 | C3 | 120.0° | 122.2° |
C4 | C5 | C | 120.1° | 118.9° |
C4 | C5 | H5 | 120.0° | 121.1° |
C8 | C4 | C3 | 121.6° | 118.9° |
C4 | C8 | O1 | 121.3° | 119.3° |
C4 | C3 | C2 | 120.3° | 118.9° |
C4 | C3 | H3 | 119.9° | 121.2° |
C | C5 | H5 | 120.0° | 120.0° |
C5 | C | C6 | 120.4° | 120.0° |
C5 | C | C1 | 119.7° | 120.0° |
O | C6 | N | 120.7° | 124.1° |
O | C6 | C | 116.9° | 117.0° |
N | C6 | C | 122.3° | 118.9° |
C6 | N | C10 | 120.5° | 122.2° |
C6 | N | C9 | 119.4° | 122.2° |
C6 | C | C1 | 119.9° | 120.0° |
C2 | C7 | H71 | 109.5° | 110.4° |
C2 | C7 | H72 | 109.4° | 111.3° |
C2 | C7 | H73 | 109.5° | 111.3° |
C7 | C2 | C1 | 120.3° | 120.0° |
C7 | C2 | C3 | 120.4° | 120.0° |
H71 | C7 | H72 | 109.5° | 108.5° |
H71 | C7 | H73 | 109.4° | 108.5° |
H72 | C7 | H73 | 109.5° | 106.8° |
N | C10 | C13 | 112.0° | 112.4° |
N | C10 | H101 | 108.6° | 107.0° |
N | C10 | H102 | 108.1° | 107.8° |
C10 | N | C9 | 120.0° | 115.6° |
C13 | C10 | H101 | 108.6° | 110.0° |
C13 | C10 | H102 | 108.1° | 111.3° |
C10 | C13 | C14 | 112.3° | 112.7° |
C10 | C13 | H131 | 108.5° | 108.8° |
C10 | C13 | H132 | 107.9° | 110.1° |
H101 | C10 | H102 | 111.4° | 108.2° |
C14 | C13 | H131 | 108.6° | 108.7° |
C14 | C13 | H132 | 107.9° | 109.2° |
C13 | C14 | H141 | 109.5° | 111.0° |
C13 | C14 | H142 | 109.4° | 110.1° |
C13 | C14 | H143 | 109.5° | 111.4° |
H131 | C13 | H132 | 111.7° | 107.2° |
C17 | C15 | C16 | 114.4° | 113.6° |
C17 | C15 | H15 | 110.9° | 109.5° |
C15 | C17 | C28 | 110.1° | 114.0° |
C15 | C17 | H171 | 109.3° | 110.3° |
C15 | C17 | H172 | 109.1° | 109.5° |
C16 | C15 | H15 | 102.2° | 108.5° |
C15 | C16 | O2 | 108.9° | 109.2° |
C15 | C16 | C18 | 110.0° | 112.3° |
C15 | C16 | H16 | 108.4° | 109.1° |
C28 | C17 | H171 | 109.3° | 110.2° |
C28 | C17 | H172 | 109.1° | 107.7° |
C17 | C28 | C29 | 120.1° | 119.4° |
C17 | C28 | C27 | 121.3° | 119.4° |
H171 | C17 | H172 | 110.0° | 104.8° |
C19 | C20 | C25 | 120.0° | 119.7° |
C19 | C20 | C21 | 121.4° | 119.6° |
C20 | C19 | N2 | 107.8° | 112.0° |
C20 | C19 | H191 | 110.1° | 110.6° |
C20 | C19 | H192 | 110.4° | 111.0° |
C25 | C20 | C21 | 118.6° | 120.7° |
C20 | C25 | C24 | 121.2° | 119.7° |
C20 | C25 | H25 | 119.4° | 119.7° |
C20 | C21 | C22 | 120.3° | 119.7° |
C20 | C21 | H21 | 119.8° | 120.8° |
C22 | C21 | H21 | 119.8° | 119.5° |
C21 | C22 | C23 | 120.6° | 120.0° |
C21 | C22 | H22 | 119.7° | 120.0° |
C23 | C22 | H22 | 119.7° | 120.0° |
C22 | C23 | C24 | 120.1° | 120.0° |
C22 | C23 | H23 | 119.9° | 118.8° |
I | C24 | C25 | 120.6° | 120.0° |
I | C24 | C23 | 120.2° | 120.0° |
C25 | C24 | C23 | 119.2° | 120.0° |
C24 | C25 | H25 | 119.4° | 120.6° |
C24 | C23 | H23 | 119.9° | 121.2° |
C27 | C26 | C31 | 119.8° | 120.0° |
C27 | C26 | F | 119.9° | 120.0° |
C26 | C27 | C28 | 120.8° | 119.4° |
C26 | C27 | H27 | 119.6° | 119.5° |
C31 | C26 | F | 120.3° | 120.0° |
C26 | C31 | C30 | 119.6° | 120.0° |
C26 | C31 | H31 | 120.2° | 120.0° |
C29 | C28 | C27 | 118.7° | 121.2° |
C28 | C29 | C30 | 120.6° | 119.4° |
C28 | C29 | H29 | 119.7° | 121.1° |
C28 | C27 | H27 | 119.6° | 121.2° |
C | C1 | C2 | 120.6° | 120.0° |
C | C1 | H1 | 119.7° | 120.1° |
C2 | C1 | H1 | 119.7° | 119.9° |
C1 | C2 | C3 | 119.3° | 120.0° |
C2 | C3 | H3 | 119.9° | 119.9° |
N | C9 | C11 | 113.8° | 112.4° |
N | C9 | H91 | 108.1° | 107.0° |
N | C9 | H92 | 107.1° | 107.8° |
C11 | C9 | H91 | 108.0° | 110.0° |
C11 | C9 | H92 | 107.1° | 111.3° |
C9 | C11 | C12 | 112.2° | 112.7° |
C9 | C11 | H111 | 108.6° | 108.8° |
C9 | C11 | H112 | 108.0° | 110.1° |
H91 | C9 | H92 | 112.9° | 108.1° |
C12 | C11 | H111 | 108.6° | 108.6° |
C12 | C11 | H112 | 108.0° | 109.2° |
C11 | C12 | H121 | 109.5° | 111.0° |
C11 | C12 | H122 | 109.5° | 110.1° |
C11 | C12 | H123 | 109.5° | 111.4° |
H111 | C11 | H112 | 111.6° | 107.2° |
H121 | C12 | H122 | 109.4° | 108.0° |
H121 | C12 | H123 | 109.5° | 108.4° |
H122 | C12 | H123 | 109.5° | 107.8° |
H141 | C14 | H142 | 109.5° | 108.0° |
H141 | C14 | H143 | 109.5° | 108.3° |
H142 | C14 | H143 | 109.5° | 107.9° |
O2 | C16 | C18 | 106.1° | 109.3° |
O2 | C16 | H16 | 112.2° | 107.3° |
C16 | O2 | HO2 | 109.5° | 106.4° |
C18 | C16 | H16 | 111.1° | 109.4° |
C16 | C18 | N2 | 110.8° | 109.7° |
C16 | C18 | H181 | 109.1° | 111.6° |
C16 | C18 | H182 | 108.8° | 111.0° |
N2 | C18 | H181 | 109.0° | 107.6° |
N2 | C18 | H182 | 108.7° | 107.6° |
C18 | N2 | C19 | 111.6° | 110.0° |
C18 | N2 | HN2 | 108.8° | 107.9° |
H181 | C18 | H182 | 110.5° | 109.1° |
C19 | N2 | HN2 | 108.8° | 110.3° |
N2 | C19 | H191 | 110.0° | 108.0° |
N2 | C19 | H192 | 110.4° | 107.8° |
H191 | C19 | H192 | 108.2° | 107.3° |
C30 | C29 | H29 | 119.7° | 119.5° |
C29 | C30 | F1 | 119.5° | 120.0° |
C29 | C30 | C31 | 120.5° | 120.0° |
F1 | C30 | C31 | 120.1° | 120.0° |
C30 | C31 | H31 | 120.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | N1 | C8 | HN1 | 180.0° | 175.8° |
C15 | N1 | C8 | C4 | 177.1° | 178.8° |
C15 | N1 | C8 | O1 | 0.8° | 0.0° |
N1 | C15 | C17 | C16 | 123.5° | 123.8° |
N1 | C15 | C17 | H15 | 121.5° | 114.8° |
N1 | C15 | C16 | H15 | 121.2° | 115.3° |
N1 | C15 | C17 | C28 | 57.0° | 74.9° |
N1 | C15 | C17 | H171 | 177.0° | 49.7° |
N1 | C15 | C17 | H172 | 62.7° | 164.4° |
N1 | C15 | C16 | O2 | 178.5° | 60.3° |
N1 | C15 | C16 | C18 | 65.6° | 61.2° |
N1 | C15 | C16 | H16 | 56.2° | 177.3° |
N1 | C8 | C4 | C5 | 27.9° | 26.9° |
N1 | C8 | C4 | O1 | 177.9° | 178.9° |
N1 | C8 | C4 | C3 | 152.8° | 153.0° |
C8 | N1 | C15 | C17 | 134.0° | 117.3° |
C8 | N1 | C15 | C16 | 101.4° | 117.2° |
C8 | N1 | C15 | H15 | 13.7° | 0.0° |
HN1 | N1 | C8 | C4 | 2.9° | 3.1° |
HN1 | N1 | C8 | O1 | 179.2° | 175.8° |
HN1 | N1 | C15 | C17 | 46.0° | 58.6° |
HN1 | N1 | C15 | C16 | 78.6° | 66.9° |
HN1 | N1 | C15 | H15 | 166.3° | 176.0° |
C5 | C4 | C8 | C3 | 179.3° | 179.9° |
C4 | C5 | C | H5 | 180.0° | 180.0° |
C4 | C5 | C | C6 | 179.8° | 180.0° |
C5 | C4 | C8 | O1 | 150.0° | 154.2° |
C4 | C5 | C | C1 | 0.1° | 0.0° |
C5 | C4 | C3 | C2 | 0.1° | 0.0° |
C5 | C4 | C3 | H3 | 179.9° | 180.0° |
C8 | C4 | C5 | C | 179.3° | 179.9° |
C8 | C4 | C5 | H5 | 0.7° | 0.0° |
C8 | C4 | C3 | C2 | 179.4° | 179.9° |
C8 | C4 | C3 | H3 | 0.6° | 0.1° |
C3 | C4 | C5 | C | 0.0° | 0.0° |
C3 | C4 | C5 | H5 | 180.0° | 179.9° |
C4 | C3 | C2 | C7 | 179.9° | 179.9° |
C3 | C4 | C8 | O1 | 29.3° | 25.9° |
C4 | C3 | C2 | C1 | 0.1° | 0.0° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C5 | C | C6 | O | 122.0° | 90.7° |
C5 | C | C6 | N | 58.6° | 90.0° |
C5 | C | C6 | C1 | 179.7° | 179.9° |
C5 | C | C1 | C2 | 0.1° | 0.0° |
C5 | C | C1 | H1 | 180.0° | 180.0° |
H5 | C5 | C | C6 | 0.3° | 0.0° |
H5 | C5 | C | C1 | 179.9° | 179.9° |
O | C6 | N | C | 179.3° | 179.3° |
O | C6 | N | C10 | 157.7° | 180.0° |
O | C6 | C | C1 | 57.7° | 89.4° |
O | C6 | N | C9 | 20.1° | 0.0° |
C6 | N | C10 | C9 | 177.7° | 180.0° |
C6 | N | C10 | C13 | 106.1° | 90.0° |
C6 | N | C10 | H101 | 133.9° | 149.2° |
C6 | N | C10 | H102 | 12.9° | 33.0° |
N | C6 | C | C1 | 121.7° | 89.9° |
C6 | N | C9 | C11 | 62.3° | 90.0° |
C6 | N | C9 | H91 | 57.7° | 149.1° |
C6 | N | C9 | H92 | 179.6° | 33.0° |
C | C6 | N | C10 | 21.6° | 0.7° |
C6 | C | C1 | C2 | 179.7° | 180.0° |
C6 | C | C1 | H1 | 0.3° | 0.1° |
C | C6 | N | C9 | 160.6° | 179.3° |
C2 | C7 | H71 | H72 | 120.0° | 122.2° |
C2 | C7 | H71 | H73 | 120.0° | 122.2° |
C2 | C7 | H72 | H73 | 120.0° | 121.6° |
C7 | C2 | C1 | C | 179.9° | 179.9° |
C7 | C2 | C1 | C3 | 180.0° | 180.0° |
C7 | C2 | C1 | H1 | 0.1° | 0.0° |
C7 | C2 | C3 | H3 | 0.2° | 0.0° |
H71 | C7 | H72 | H73 | 120.0° | 116.7° |
H71 | C7 | C2 | C1 | 129.4° | 0.9° |
H71 | C7 | C2 | C3 | 50.6° | 179.1° |
H72 | C7 | C2 | C1 | 110.6° | 121.4° |
H72 | C7 | C2 | C3 | 69.4° | 58.6° |
H73 | C7 | C2 | C1 | 9.5° | 119.6° |
H73 | C7 | C2 | C3 | 170.6° | 60.3° |
N | C10 | C13 | H101 | 120.0° | 119.1° |
N | C10 | C13 | H102 | 118.9° | 121.0° |
N | C10 | H101 | H102 | 119.0° | 115.9° |
N | C10 | C13 | C14 | 69.1° | 179.2° |
N | C10 | C13 | H131 | 50.9° | 58.5° |
N | C10 | C13 | H132 | 172.1° | 58.7° |
C10 | N | C9 | C11 | 120.0° | 90.0° |
C10 | N | C9 | H91 | 120.1° | 30.8° |
C10 | N | C9 | H92 | 1.8° | 147.0° |
C13 | C10 | H101 | H102 | 119.0° | 121.7° |
C10 | C13 | C14 | H131 | 120.0° | 120.7° |
C10 | C13 | C14 | H132 | 118.8° | 122.7° |
C10 | C13 | H131 | H132 | 118.8° | 119.0° |
C13 | C10 | N | C9 | 71.7° | 90.0° |
C10 | C13 | C14 | H141 | 107.1° | 57.9° |
C10 | C13 | C14 | H142 | 12.9° | 177.4° |
C10 | C13 | C14 | H143 | 132.9° | 62.9° |
H101 | C10 | C13 | C14 | 170.9° | 60.0° |
H101 | C10 | C13 | H131 | 69.1° | 60.6° |
H101 | C10 | C13 | H132 | 52.1° | 177.8° |
H101 | C10 | N | C9 | 48.3° | 30.9° |
H102 | C10 | C13 | C14 | 49.8° | 59.8° |
H102 | C10 | C13 | H131 | 169.9° | 179.6° |
H102 | C10 | C13 | H132 | 68.9° | 62.3° |
H102 | C10 | N | C9 | 169.4° | 147.0° |
C14 | C13 | H131 | H132 | 118.8° | 117.9° |
C13 | C14 | H141 | H142 | 120.0° | 120.8° |
C13 | C14 | H141 | H143 | 120.0° | 122.6° |
C13 | C14 | H142 | H143 | 120.0° | 121.8° |
H131 | C13 | C14 | H141 | 132.9° | 62.8° |
H131 | C13 | C14 | H142 | 107.1° | 56.7° |
H131 | C13 | C14 | H143 | 12.9° | 176.4° |
H132 | C13 | C14 | H141 | 11.7° | 179.4° |
H132 | C13 | C14 | H142 | 131.7° | 59.9° |
H132 | C13 | C14 | H143 | 108.3° | 59.7° |
C17 | C15 | C16 | H15 | 119.9° | 122.0° |
C15 | C17 | C28 | H171 | 120.0° | 124.6° |
C15 | C17 | C28 | H172 | 119.7° | 121.7° |
C15 | C17 | H171 | H172 | 119.7° | 117.7° |
C15 | C17 | C28 | C29 | 132.3° | 90.0° |
C15 | C17 | C28 | C27 | 47.1° | 90.0° |
C17 | C15 | C16 | O2 | 59.6° | 177.0° |
C17 | C15 | C16 | C18 | 175.5° | 61.5° |
C17 | C15 | C16 | H16 | 62.7° | 60.0° |
C16 | C15 | C17 | C28 | 179.5° | 161.4° |
C16 | C15 | C17 | H171 | 59.4° | 74.1° |
C16 | C15 | C17 | H172 | 60.8° | 40.7° |
C15 | C16 | O2 | C18 | 118.4° | 123.3° |
C15 | C16 | O2 | H16 | 120.0° | 118.1° |
C15 | C16 | C18 | H16 | 120.1° | 121.3° |
C15 | C16 | C18 | N2 | 177.1° | 179.3° |
C15 | C16 | C18 | H181 | 62.9° | 60.0° |
C15 | C16 | C18 | H182 | 57.7° | 61.9° |
C15 | C16 | O2 | HO2 | 118.5° | 79.4° |
H15 | C15 | C17 | C28 | 64.5° | 39.9° |
H15 | C15 | C17 | H171 | 55.5° | 164.5° |
H15 | C15 | C17 | H172 | 175.8° | 80.7° |
H15 | C15 | C16 | O2 | 60.3° | 55.0° |
H15 | C15 | C16 | C18 | 55.6° | 176.5° |
H15 | C15 | C16 | H16 | 177.4° | 62.0° |
C28 | C17 | H171 | H172 | 119.8° | 115.6° |
C17 | C28 | C27 | C26 | 179.3° | 179.9° |
C17 | C28 | C29 | C27 | 179.4° | 179.9° |
C17 | C28 | C27 | H27 | 0.7° | 0.1° |
C17 | C28 | C29 | C30 | 179.5° | 179.9° |
C17 | C28 | C29 | H29 | 0.6° | 0.0° |
H171 | C17 | C28 | C29 | 107.7° | 34.6° |
H171 | C17 | C28 | C27 | 72.9° | 145.4° |
H172 | C17 | C28 | C29 | 12.6° | 148.3° |
H172 | C17 | C28 | C27 | 166.8° | 31.6° |
C19 | C20 | C25 | C21 | 179.0° | 180.0° |
C19 | C20 | C21 | C22 | 179.0° | 180.0° |
C19 | C20 | C21 | H21 | 1.0° | 0.0° |
C19 | C20 | C25 | C24 | 178.9° | 180.0° |
C20 | C19 | N2 | C18 | 68.7° | 178.9° |
C20 | C19 | N2 | H191 | 120.0° | 122.0° |
C20 | C19 | N2 | H192 | 120.7° | 122.4° |
C20 | C19 | N2 | HN2 | 51.3° | 60.1° |
C20 | C19 | H191 | H192 | 120.7° | 121.2° |
C19 | C20 | C25 | H25 | 1.1° | 0.0° |
C25 | C20 | C21 | C22 | 0.0° | 0.0° |
C25 | C20 | C21 | H21 | 179.9° | 180.0° |
C20 | C25 | C24 | I | 179.6° | 179.9° |
C20 | C25 | C24 | H25 | 180.0° | 180.0° |
C20 | C25 | C24 | C23 | 0.1° | 0.0° |
C25 | C20 | C19 | N2 | 45.1° | 90.0° |
C25 | C20 | C19 | H191 | 74.9° | 30.5° |
C25 | C20 | C19 | H192 | 165.7° | 149.5° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.1° | 0.0° |
C20 | C21 | C22 | H22 | 179.9° | 180.0° |
C21 | C20 | C25 | C24 | 0.0° | 0.0° |
C21 | C20 | C19 | N2 | 133.9° | 90.0° |
C21 | C20 | C19 | H191 | 106.1° | 149.5° |
C21 | C20 | C19 | H192 | 13.2° | 30.5° |
C21 | C20 | C25 | H25 | 180.0° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | C24 | 0.0° | 0.0° |
C21 | C22 | C23 | H23 | 179.9° | 180.0° |
H21 | C21 | C22 | C23 | 179.9° | 180.0° |
H21 | C21 | C22 | H22 | 0.1° | 0.0° |
C22 | C23 | C24 | I | 179.6° | 180.0° |
C22 | C23 | C24 | C25 | 0.0° | 0.0° |
C22 | C23 | C24 | H23 | 180.0° | 180.0° |
H22 | C22 | C23 | C24 | 180.0° | 180.0° |
H22 | C22 | C23 | H23 | 0.0° | 0.0° |
I | C24 | C25 | C23 | 179.7° | 180.0° |
I | C24 | C23 | H23 | 0.3° | 0.0° |
I | C24 | C25 | H25 | 0.4° | 0.0° |
C25 | C24 | C23 | H23 | 180.0° | 180.0° |
C23 | C24 | C25 | H25 | 179.9° | 180.0° |
C27 | C26 | C31 | F | 179.9° | 179.9° |
C26 | C27 | C28 | C29 | 0.1° | 0.0° |
C26 | C27 | C28 | H27 | 180.0° | 180.0° |
C27 | C26 | C31 | C30 | 0.0° | 0.1° |
C27 | C26 | C31 | H31 | 180.0° | 180.0° |
C31 | C26 | C27 | C28 | 0.1° | 0.0° |
C31 | C26 | C27 | H27 | 179.9° | 180.0° |
C26 | C31 | C30 | C29 | 0.1° | 0.0° |
C26 | C31 | C30 | F1 | 179.8° | 179.9° |
C26 | C31 | C30 | H31 | 180.0° | 179.9° |
F | C26 | C27 | C28 | 179.8° | 180.0° |
F | C26 | C27 | H27 | 0.2° | 0.0° |
F | C26 | C31 | C30 | 179.9° | 180.0° |
F | C26 | C31 | H31 | 0.1° | 0.1° |
C29 | C28 | C27 | H27 | 179.9° | 180.0° |
C28 | C29 | C30 | H29 | 180.0° | 179.9° |
C28 | C29 | C30 | F1 | 179.9° | 179.9° |
C28 | C29 | C30 | C31 | 0.2° | 0.0° |
C27 | C28 | C29 | C30 | 0.1° | 0.0° |
C27 | C28 | C29 | H29 | 180.0° | 179.9° |
C | C1 | C2 | H1 | 180.0° | 179.9° |
C | C1 | C2 | C3 | 0.0° | 0.0° |
C1 | C2 | C3 | H3 | 179.9° | 180.0° |
H1 | C1 | C2 | C3 | 180.0° | 180.0° |
N | C9 | C11 | H91 | 120.0° | 119.1° |
N | C9 | C11 | H92 | 118.1° | 121.1° |
N | C9 | H91 | H92 | 118.2° | 115.9° |
N | C9 | C11 | C12 | 78.2° | 179.1° |
N | C9 | C11 | H111 | 41.8° | 58.5° |
N | C9 | C11 | H112 | 162.9° | 58.7° |
C11 | C9 | H91 | H92 | 118.2° | 121.7° |
C9 | C11 | C12 | H111 | 120.0° | 120.7° |
C9 | C11 | C12 | H112 | 118.8° | 122.7° |
C9 | C11 | H111 | H112 | 118.9° | 119.1° |
C9 | C11 | C12 | H121 | 151.4° | 57.9° |
C9 | C11 | C12 | H122 | 88.6° | 177.4° |
C9 | C11 | C12 | H123 | 31.4° | 63.0° |
H91 | C9 | C11 | C12 | 161.8° | 60.0° |
H91 | C9 | C11 | H111 | 78.2° | 60.6° |
H91 | C9 | C11 | H112 | 42.9° | 177.8° |
H92 | C9 | C11 | C12 | 39.9° | 59.8° |
H92 | C9 | C11 | H111 | 159.9° | 179.6° |
H92 | C9 | C11 | H112 | 79.0° | 62.4° |
C12 | C11 | H111 | H112 | 118.9° | 117.9° |
C11 | C12 | H121 | H122 | 120.0° | 120.8° |
C11 | C12 | H121 | H123 | 120.0° | 122.6° |
C11 | C12 | H122 | H123 | 120.0° | 121.7° |
H111 | C11 | C12 | H121 | 88.6° | 62.8° |
H111 | C11 | C12 | H122 | 31.4° | 56.8° |
H111 | C11 | C12 | H123 | 151.4° | 176.3° |
H112 | C11 | C12 | H121 | 32.6° | 179.4° |
H112 | C11 | C12 | H122 | 152.6° | 59.9° |
H112 | C11 | C12 | H123 | 87.4° | 59.7° |
H121 | C12 | H122 | H123 | 120.0° | 117.0° |
H141 | C14 | H142 | H143 | 120.0° | 116.9° |
O2 | C16 | C18 | H16 | 122.2° | 117.3° |
O2 | C16 | C18 | N2 | 59.5° | 57.9° |
O2 | C16 | C18 | H181 | 179.5° | 61.4° |
O2 | C16 | C18 | H182 | 60.0° | 176.7° |
C16 | C18 | N2 | H181 | 120.0° | 121.7° |
C16 | C18 | N2 | H182 | 119.5° | 120.9° |
C16 | C18 | H181 | H182 | 119.5° | 123.1° |
C16 | C18 | N2 | C19 | 173.3° | 178.4° |
C16 | C18 | N2 | HN2 | 53.3° | 61.2° |
C18 | C16 | O2 | HO2 | 123.1° | 157.3° |
H16 | C16 | C18 | N2 | 62.8° | 59.4° |
H16 | C16 | C18 | H181 | 57.2° | 178.7° |
H16 | C16 | C18 | H182 | 177.8° | 59.4° |
H16 | C16 | O2 | HO2 | 1.5° | 38.7° |
N2 | C18 | H181 | H182 | 119.5° | 116.5° |
C18 | N2 | C19 | HN2 | 120.0° | 118.9° |
C18 | N2 | C19 | H191 | 171.3° | 56.9° |
C18 | N2 | C19 | H192 | 52.0° | 58.7° |
H181 | C18 | N2 | C19 | 66.7° | 60.0° |
H181 | C18 | N2 | HN2 | 173.3° | 60.4° |
H182 | C18 | N2 | C19 | 53.9° | 57.5° |
H182 | C18 | N2 | HN2 | 66.1° | 177.9° |
N2 | C19 | H191 | H192 | 120.6° | 115.9° |
HN2 | N2 | C19 | H191 | 68.7° | 62.0° |
HN2 | N2 | C19 | H192 | 172.0° | 177.6° |
C29 | C30 | F1 | C31 | 179.7° | 179.9° |
C29 | C30 | C31 | H31 | 179.9° | 180.0° |
H29 | C29 | C30 | F1 | 0.1° | 0.0° |
H29 | C29 | C30 | C31 | 179.9° | 179.9° |
F1 | C30 | C31 | H31 | 0.1° | 0.0° |