CS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | C30 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C14 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | N1 | sing | 1.35Å | 1.42Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | C8 | sing | 1.46Å | 1.50Å | |
| N1 | C11 | sing | 1.46Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C14 | O2 | doub | 1.22Å | 1.24Å | |
| C14 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C15 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | sing | 1.43Å | 1.41Å | |
| C16 | C27 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C19 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | F2 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | F1 | sing | 1.35Å | 1.33Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C20 | sing | 1.55Å | 1.55Å | |
| C26 | O4 | sing | 1.43Å | 1.44Å | |
| C26 | C18 | sing | 1.54Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | N3 | sing | 1.47Å | 1.47Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N3 | C27 | sing | 1.48Å | 1.47Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C20 | C27 | sing | 1.55Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | C31 | sing | 1.36Å | 1.41Å | |
| C31 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.6° | 120.2° |
| C6 | C1 | H1 | 119.7° | 119.9° |
| C1 | C6 | C5 | 119.5° | 119.8° |
| C1 | C6 | C7 | 120.5° | 120.1° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | C3 | 119.3° | 120.3° |
| C1 | C2 | C30 | 119.7° | 119.9° |
| C3 | C2 | C30 | 121.0° | 119.8° |
| C2 | C3 | C4 | 120.8° | 120.1° |
| C2 | C3 | H3 | 119.6° | 119.9° |
| C2 | C30 | H301 | 109.5° | 109.5° |
| C2 | C30 | H302 | 109.5° | 109.5° |
| C2 | C30 | H303 | 109.5° | 109.5° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | C5 | 118.8° | 119.9° |
| C3 | C4 | C14 | 119.9° | 120.1° |
| C5 | C4 | C14 | 121.4° | 120.1° |
| C4 | C5 | C6 | 121.1° | 119.7° |
| C4 | C5 | H5 | 119.5° | 120.1° |
| C4 | C14 | O2 | 122.8° | 120.0° |
| C4 | C14 | N2 | 115.8° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.2° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C6 | C7 | N1 | 122.4° | 120.0° |
| C6 | C7 | O1 | 117.6° | 120.0° |
| N1 | C7 | O1 | 120.0° | 120.0° |
| C7 | N1 | C8 | 126.3° | 120.0° |
| C7 | N1 | C11 | 116.8° | 120.0° |
| C8 | N1 | C11 | 116.9° | 120.0° |
| N1 | C8 | C9 | 112.0° | 109.5° |
| N1 | C8 | H81 | 108.6° | 109.5° |
| N1 | C8 | H82 | 108.1° | 109.5° |
| N1 | C11 | C12 | 111.9° | 109.4° |
| N1 | C11 | H111 | 108.6° | 109.5° |
| N1 | C11 | H112 | 108.1° | 109.4° |
| C9 | C8 | H81 | 108.6° | 109.4° |
| C9 | C8 | H82 | 108.1° | 109.5° |
| C8 | C9 | C10 | 113.4° | 109.5° |
| C8 | C9 | H91 | 108.2° | 109.5° |
| C8 | C9 | H92 | 107.3° | 109.5° |
| H81 | C8 | H82 | 111.5° | 109.5° |
| C10 | C9 | H91 | 108.2° | 109.4° |
| C10 | C9 | H92 | 107.3° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.4° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C9 | C10 | H103 | 109.4° | 109.5° |
| H91 | C9 | H92 | 112.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| C12 | C11 | H111 | 108.7° | 109.5° |
| C12 | C11 | H112 | 108.1° | 109.5° |
| C11 | C12 | C13 | 114.8° | 109.4° |
| C11 | C12 | H121 | 107.7° | 109.5° |
| C11 | C12 | H122 | 106.5° | 109.5° |
| H111 | C11 | H112 | 111.4° | 109.5° |
| C13 | C12 | H121 | 107.7° | 109.5° |
| C13 | C12 | H122 | 106.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.5° |
| H121 | C12 | H122 | 113.7° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| O2 | C14 | N2 | 121.4° | 120.0° |
| C14 | N2 | C15 | 123.1° | 120.0° |
| C14 | N2 | HN2 | 118.5° | 120.0° |
| C15 | N2 | HN2 | 118.5° | 120.1° |
| N2 | C15 | C17 | 107.8° | 109.4° |
| N2 | C15 | C16 | 112.1° | 109.5° |
| N2 | C15 | H15 | 109.5° | 109.5° |
| C17 | C15 | C16 | 111.5° | 109.4° |
| C17 | C15 | H15 | 110.2° | 109.5° |
| C15 | C17 | C19 | 113.0° | 109.4° |
| C15 | C17 | H171 | 108.3° | 109.5° |
| C15 | C17 | H172 | 107.5° | 109.5° |
| C16 | C15 | H15 | 105.8° | 109.5° |
| C15 | C16 | O3 | 108.6° | 109.5° |
| C15 | C16 | C27 | 114.7° | 109.5° |
| C15 | C16 | H16 | 105.8° | 109.4° |
| O3 | C16 | C27 | 107.2° | 109.5° |
| O3 | C16 | H16 | 113.5° | 109.5° |
| C16 | O3 | HO3 | 109.5° | 114.0° |
| C27 | C16 | H16 | 107.2° | 109.5° |
| C16 | C27 | N3 | 111.9° | 110.3° |
| C16 | C27 | C20 | 115.0° | 110.3° |
| C16 | C27 | H27 | 102.4° | 110.3° |
| C19 | C17 | H171 | 108.3° | 109.5° |
| C19 | C17 | H172 | 107.5° | 109.4° |
| C17 | C19 | C25 | 121.2° | 119.9° |
| C17 | C19 | C21 | 119.8° | 120.0° |
| H171 | C17 | H172 | 112.3° | 109.5° |
| C25 | C19 | C21 | 118.9° | 120.0° |
| C19 | C25 | C24 | 119.8° | 120.1° |
| C19 | C25 | H25 | 120.1° | 120.0° |
| C19 | C21 | C22 | 119.5° | 120.0° |
| C19 | C21 | H21 | 120.2° | 119.9° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C21 | C22 | C23 | 122.4° | 120.0° |
| C21 | C22 | F2 | 118.6° | 120.0° |
| C23 | C22 | F2 | 119.0° | 120.0° |
| C22 | C23 | C24 | 117.3° | 120.0° |
| C22 | C23 | H23 | 121.3° | 120.0° |
| C24 | C23 | H23 | 121.4° | 120.0° |
| C23 | C24 | F1 | 118.9° | 120.0° |
| C23 | C24 | C25 | 122.1° | 119.9° |
| F1 | C24 | C25 | 119.1° | 120.0° |
| C24 | C25 | H25 | 120.1° | 119.9° |
| C20 | C26 | O4 | 113.5° | 110.7° |
| C20 | C26 | C18 | 102.2° | 103.0° |
| C20 | C26 | H26 | 110.4° | 110.7° |
| C26 | C20 | C27 | 105.0° | 101.7° |
| C26 | C20 | H201 | 111.0° | 111.0° |
| C26 | C20 | H202 | 112.0° | 111.0° |
| O4 | C26 | C18 | 105.5° | 110.7° |
| O4 | C26 | H26 | 107.4° | 110.7° |
| C26 | O4 | C31 | 119.2° | 117.0° |
| C18 | C26 | H26 | 117.9° | 110.9° |
| C26 | C18 | N3 | 103.1° | 107.2° |
| C26 | C18 | H181 | 111.7° | 109.9° |
| C26 | C18 | H182 | 113.0° | 109.9° |
| N3 | C18 | H181 | 111.7° | 109.9° |
| N3 | C18 | H182 | 113.0° | 109.8° |
| C18 | N3 | C27 | 103.3° | 108.6° |
| C18 | N3 | HN3 | 111.6° | 111.0° |
| H181 | C18 | H182 | 104.6° | 110.0° |
| C27 | N3 | HN3 | 111.6° | 111.0° |
| N3 | C27 | C20 | 104.6° | 104.8° |
| N3 | C27 | H27 | 113.2° | 110.4° |
| C27 | C20 | H201 | 111.0° | 111.0° |
| C27 | C20 | H202 | 112.0° | 111.0° |
| C20 | C27 | H27 | 110.0° | 110.5° |
| H201 | C20 | H202 | 106.1° | 110.9° |
| O4 | C31 | C36 | 114.8° | 120.0° |
| O4 | C31 | C32 | 126.1° | 120.0° |
| C36 | C31 | C32 | 119.0° | 119.9° |
| C31 | C36 | C35 | 120.6° | 119.9° |
| C31 | C36 | H36 | 119.7° | 120.0° |
| C31 | C32 | C33 | 120.1° | 119.9° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.2° | 120.1° |
| C32 | C33 | H33 | 119.9° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.1° |
| C33 | C34 | H34 | 119.9° | 120.0° |
| C35 | C34 | H34 | 119.9° | 119.9° |
| C34 | C35 | C36 | 119.9° | 120.1° |
| C34 | C35 | H35 | 120.1° | 119.9° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | C30 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | C7 | 179.1° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1 | C6 | C7 | N1 | 120.6° | 47.4° |
| C1 | C6 | C7 | O1 | 60.2° | 132.7° |
| C1 | C2 | C3 | C30 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C2 | C1 | C6 | C7 | 179.4° | 179.9° |
| C1 | C2 | C30 | H301 | 97.3° | 90.0° |
| C1 | C2 | C30 | H302 | 22.7° | 150.0° |
| C1 | C2 | C30 | H303 | 142.7° | 29.9° |
| H1 | C1 | C2 | C3 | 179.8° | 179.7° |
| H1 | C1 | C2 | C30 | 0.2° | 0.4° |
| H1 | C1 | C6 | C5 | 179.6° | 179.7° |
| H1 | C1 | C6 | C7 | 0.6° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C14 | 179.6° | 180.0° |
| C3 | C2 | C30 | H301 | 82.6° | 90.0° |
| C3 | C2 | C30 | H302 | 157.3° | 30.0° |
| C3 | C2 | C30 | H303 | 37.3° | 150.0° |
| C30 | C2 | C3 | C4 | 180.0° | 179.9° |
| C30 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C30 | H301 | H302 | 120.0° | 120.0° |
| C2 | C30 | H301 | H303 | 120.0° | 120.0° |
| C2 | C30 | H302 | H303 | 120.0° | 120.0° |
| C3 | C4 | C5 | C14 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C14 | O2 | 29.7° | 180.0° |
| C3 | C4 | C14 | N2 | 150.7° | 0.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C14 | 0.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C5 | C4 | C14 | O2 | 149.9° | 0.1° |
| C5 | C4 | C14 | N2 | 29.8° | 179.9° |
| C14 | C4 | C5 | C6 | 179.4° | 180.0° |
| C14 | C4 | C5 | H5 | 0.6° | 0.0° |
| C4 | C14 | O2 | N2 | 179.6° | 180.0° |
| C4 | C14 | N2 | C15 | 179.2° | 180.0° |
| C4 | C14 | N2 | HN2 | 0.8° | 0.1° |
| C5 | C6 | C7 | N1 | 60.3° | 132.7° |
| C5 | C6 | C7 | O1 | 118.8° | 47.3° |
| H5 | C5 | C6 | C7 | 0.6° | 0.0° |
| C6 | C7 | N1 | O1 | 179.2° | 180.0° |
| C6 | C7 | N1 | C8 | 1.2° | 173.5° |
| C6 | C7 | N1 | C11 | 179.2° | 6.6° |
| C7 | N1 | C8 | C11 | 179.5° | 180.0° |
| C7 | N1 | C8 | C9 | 114.5° | 90.0° |
| C7 | N1 | C8 | H81 | 125.5° | 150.0° |
| C7 | N1 | C8 | H82 | 4.4° | 30.0° |
| C7 | N1 | C11 | C12 | 111.0° | 99.3° |
| C7 | N1 | C11 | H111 | 129.0° | 140.7° |
| C7 | N1 | C11 | H112 | 7.9° | 20.7° |
| O1 | C7 | N1 | C8 | 179.6° | 6.5° |
| O1 | C7 | N1 | C11 | 0.1° | 173.4° |
| N1 | C8 | C9 | H81 | 120.0° | 120.0° |
| N1 | C8 | C9 | H82 | 118.9° | 120.0° |
| N1 | C8 | H81 | H82 | 119.0° | 120.0° |
| N1 | C8 | C9 | C10 | 49.9° | 180.0° |
| N1 | C8 | C9 | H91 | 70.1° | 60.0° |
| N1 | C8 | C9 | H92 | 168.2° | 60.0° |
| C8 | N1 | C11 | C12 | 69.4° | 80.7° |
| C8 | N1 | C11 | H111 | 50.6° | 39.3° |
| C8 | N1 | C11 | H112 | 171.6° | 159.3° |
| C11 | N1 | C8 | C9 | 65.0° | 90.0° |
| C11 | N1 | C8 | H81 | 55.0° | 30.0° |
| C11 | N1 | C8 | H82 | 176.1° | 150.0° |
| N1 | C11 | C12 | H111 | 120.0° | 120.0° |
| N1 | C11 | C12 | H112 | 118.9° | 119.9° |
| N1 | C11 | H111 | H112 | 119.0° | 120.0° |
| N1 | C11 | C12 | C13 | 50.2° | 174.1° |
| N1 | C11 | C12 | H121 | 69.7° | 54.1° |
| N1 | C11 | C12 | H122 | 167.9° | 65.9° |
| C9 | C8 | H81 | H82 | 119.0° | 120.0° |
| C8 | C9 | C10 | H91 | 120.0° | 120.0° |
| C8 | C9 | C10 | H92 | 118.3° | 120.0° |
| C8 | C9 | H91 | H92 | 118.4° | 120.0° |
| C8 | C9 | C10 | H101 | 14.9° | 60.0° |
| C8 | C9 | C10 | H102 | 134.9° | 60.0° |
| C8 | C9 | C10 | H103 | 105.1° | 180.0° |
| H81 | C8 | C9 | C10 | 169.8° | 60.0° |
| H81 | C8 | C9 | H91 | 49.8° | 179.9° |
| H81 | C8 | C9 | H92 | 71.9° | 60.0° |
| H82 | C8 | C9 | C10 | 69.1° | 60.0° |
| H82 | C8 | C9 | H91 | 170.9° | 60.0° |
| H82 | C8 | C9 | H92 | 49.2° | 180.0° |
| C10 | C9 | H91 | H92 | 118.4° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 119.9° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| H91 | C9 | C10 | H101 | 105.1° | 180.0° |
| H91 | C9 | C10 | H102 | 14.9° | 60.0° |
| H91 | C9 | C10 | H103 | 134.9° | 60.0° |
| H92 | C9 | C10 | H101 | 133.2° | 60.0° |
| H92 | C9 | C10 | H102 | 106.8° | 180.0° |
| H92 | C9 | C10 | H103 | 13.3° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.1° |
| C12 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 117.6° | 120.0° |
| C11 | C12 | H121 | H122 | 117.8° | 120.0° |
| C11 | C12 | C13 | H131 | 163.8° | 180.0° |
| C11 | C12 | C13 | H132 | 76.2° | 60.0° |
| C11 | C12 | C13 | H133 | 43.8° | 60.0° |
| H111 | C11 | C12 | C13 | 170.2° | 65.9° |
| H111 | C11 | C12 | H121 | 50.2° | 174.1° |
| H111 | C11 | C12 | H122 | 72.2° | 54.1° |
| H112 | C11 | C12 | C13 | 68.7° | 54.1° |
| H112 | C11 | C12 | H121 | 171.3° | 65.9° |
| H112 | C11 | C12 | H122 | 48.9° | 174.2° |
| C13 | C12 | H121 | H122 | 117.8° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 119.9° | 120.0° |
| C12 | C13 | H132 | H133 | 119.9° | 120.0° |
| H121 | C12 | C13 | H131 | 43.8° | 60.0° |
| H121 | C12 | C13 | H132 | 163.8° | 180.0° |
| H121 | C12 | C13 | H133 | 76.2° | 60.0° |
| H122 | C12 | C13 | H131 | 78.6° | 60.0° |
| H122 | C12 | C13 | H132 | 41.4° | 60.0° |
| H122 | C12 | C13 | H133 | 161.4° | 179.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| O2 | C14 | N2 | C15 | 0.4° | 0.0° |
| O2 | C14 | N2 | HN2 | 179.6° | 179.9° |
| C14 | N2 | C15 | HN2 | 180.0° | 179.9° |
| C14 | N2 | C15 | C17 | 130.2° | 85.1° |
| C14 | N2 | C15 | C16 | 106.8° | 155.0° |
| C14 | N2 | C15 | H15 | 10.3° | 35.0° |
| N2 | C15 | C17 | C16 | 123.4° | 119.9° |
| N2 | C15 | C17 | H15 | 119.5° | 120.1° |
| N2 | C15 | C16 | H15 | 119.3° | 120.1° |
| N2 | C15 | C16 | O3 | 178.7° | 64.9° |
| N2 | C15 | C16 | C27 | 58.8° | 175.0° |
| N2 | C15 | C16 | H16 | 59.2° | 55.0° |
| N2 | C15 | C17 | C19 | 47.0° | 65.1° |
| N2 | C15 | C17 | H171 | 73.0° | 55.0° |
| N2 | C15 | C17 | H172 | 165.5° | 175.0° |
| HN2 | N2 | C15 | C17 | 49.8° | 95.0° |
| HN2 | N2 | C15 | C16 | 73.2° | 24.9° |
| HN2 | N2 | C15 | H15 | 169.7° | 144.9° |
| C17 | C15 | C16 | H15 | 119.7° | 120.0° |
| C17 | C15 | C16 | O3 | 60.4° | 55.0° |
| C17 | C15 | C16 | C27 | 179.7° | 65.0° |
| C17 | C15 | C16 | H16 | 61.8° | 175.0° |
| C15 | C17 | C19 | H171 | 120.0° | 120.0° |
| C15 | C17 | C19 | H172 | 118.5° | 119.9° |
| C15 | C17 | H171 | H172 | 118.5° | 120.0° |
| C15 | C17 | C19 | C25 | 58.2° | 90.1° |
| C15 | C17 | C19 | C21 | 121.6° | 89.7° |
| C15 | C16 | O3 | C27 | 124.5° | 120.0° |
| C15 | C16 | O3 | H16 | 117.3° | 120.0° |
| C15 | C16 | C27 | H16 | 117.1° | 120.0° |
| C16 | C15 | C17 | C19 | 170.5° | 175.0° |
| C16 | C15 | C17 | H171 | 50.5° | 65.0° |
| C16 | C15 | C17 | H172 | 71.0° | 55.0° |
| C15 | C16 | O3 | HO3 | 152.1° | 60.0° |
| C15 | C16 | C27 | N3 | 178.4° | 61.5° |
| C15 | C16 | C27 | C20 | 59.3° | 176.8° |
| C15 | C16 | C27 | H27 | 60.0° | 60.8° |
| H15 | C15 | C16 | O3 | 59.4° | 175.0° |
| H15 | C15 | C16 | C27 | 60.5° | 55.0° |
| H15 | C15 | C16 | H16 | 178.5° | 65.0° |
| H15 | C15 | C17 | C19 | 72.4° | 55.0° |
| H15 | C15 | C17 | H171 | 167.5° | 175.1° |
| H15 | C15 | C17 | H172 | 46.0° | 64.9° |
| O3 | C16 | C27 | H16 | 122.2° | 120.0° |
| O3 | C16 | C27 | N3 | 57.7° | 178.5° |
| O3 | C16 | C27 | C20 | 61.4° | 63.2° |
| O3 | C16 | C27 | H27 | 179.3° | 59.2° |
| C27 | C16 | O3 | HO3 | 27.6° | 60.0° |
| C16 | C27 | C20 | C26 | 137.1° | 155.9° |
| C16 | C27 | N3 | C18 | 163.2° | 142.9° |
| C16 | C27 | N3 | C20 | 125.1° | 118.8° |
| C16 | C27 | N3 | H27 | 115.2° | 122.2° |
| C16 | C27 | N3 | HN3 | 76.8° | 94.9° |
| C16 | C27 | C20 | H27 | 115.0° | 122.3° |
| C16 | C27 | C20 | H201 | 17.1° | 37.8° |
| C16 | C27 | C20 | H202 | 101.2° | 86.0° |
| H16 | C16 | O3 | HO3 | 90.6° | 180.0° |
| H16 | C16 | C27 | N3 | 64.5° | 58.5° |
| H16 | C16 | C27 | C20 | 176.4° | 56.8° |
| H16 | C16 | C27 | H27 | 57.1° | 179.2° |
| C19 | C17 | H171 | H172 | 118.6° | 120.0° |
| C17 | C19 | C25 | C21 | 179.9° | 179.8° |
| C17 | C19 | C21 | C22 | 180.0° | 180.0° |
| C17 | C19 | C21 | H21 | 0.0° | 0.0° |
| C17 | C19 | C25 | C24 | 179.9° | 179.8° |
| C17 | C19 | C25 | H25 | 0.1° | 0.1° |
| H171 | C17 | C19 | C25 | 178.2° | 30.0° |
| H171 | C17 | C19 | C21 | 1.6° | 150.2° |
| H172 | C17 | C19 | C25 | 60.2° | 150.0° |
| H172 | C17 | C19 | C21 | 119.9° | 30.2° |
| C25 | C19 | C21 | C22 | 0.1° | 0.2° |
| C25 | C19 | C21 | H21 | 179.9° | 179.8° |
| C19 | C25 | C24 | C23 | 0.1° | 0.5° |
| C19 | C25 | C24 | F1 | 180.0° | 179.8° |
| C19 | C25 | C24 | H25 | 180.0° | 179.8° |
| C19 | C21 | C22 | H21 | 180.0° | 180.0° |
| C19 | C21 | C22 | C23 | 0.1° | 0.0° |
| C19 | C21 | C22 | F2 | 180.0° | 180.0° |
| C21 | C19 | C25 | C24 | 0.0° | 0.4° |
| C21 | C19 | C25 | H25 | 180.0° | 179.7° |
| C21 | C22 | C23 | F2 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | F2 | 0.0° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | F1 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| F2 | C22 | C23 | C24 | 179.9° | 179.9° |
| F2 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | F1 | C25 | 179.9° | 179.8° |
| C23 | C24 | C25 | H25 | 179.9° | 179.7° |
| H23 | C23 | C24 | F1 | 0.0° | 0.0° |
| H23 | C23 | C24 | C25 | 179.9° | 179.8° |
| F1 | C24 | C25 | H25 | 0.0° | 0.0° |
| C20 | C26 | O4 | C18 | 111.1° | 113.6° |
| C20 | C26 | O4 | H26 | 122.3° | 123.1° |
| C20 | C26 | C18 | H26 | 121.2° | 118.4° |
| C20 | C26 | C18 | N3 | 37.6° | 22.2° |
| C20 | C26 | C18 | H181 | 82.4° | 141.7° |
| C20 | C26 | C18 | H182 | 160.0° | 97.1° |
| C26 | C20 | C27 | N3 | 14.0° | 37.1° |
| C26 | C20 | C27 | H201 | 120.0° | 118.1° |
| C26 | C20 | C27 | H202 | 121.7° | 118.1° |
| C26 | C20 | H201 | H202 | 121.8° | 123.8° |
| C26 | C20 | C27 | H27 | 107.9° | 81.8° |
| C20 | C26 | O4 | C31 | 63.8° | 157.0° |
| O4 | C26 | C18 | H26 | 119.9° | 123.2° |
| O4 | C26 | C18 | N3 | 81.3° | 140.6° |
| O4 | C26 | C18 | H181 | 158.6° | 99.9° |
| O4 | C26 | C18 | H182 | 41.0° | 21.3° |
| O4 | C26 | C20 | C27 | 99.0° | 154.1° |
| O4 | C26 | C20 | H201 | 21.0° | 35.9° |
| O4 | C26 | C20 | H202 | 139.3° | 87.8° |
| C26 | O4 | C31 | C36 | 148.1° | 178.4° |
| C26 | O4 | C31 | C32 | 31.8° | 1.3° |
| C26 | C18 | N3 | H181 | 120.0° | 119.4° |
| C26 | C18 | N3 | H182 | 122.3° | 119.4° |
| C26 | C18 | H181 | H182 | 122.6° | 121.1° |
| C26 | C18 | N3 | C27 | 47.9° | 1.1° |
| C26 | C18 | N3 | HN3 | 167.9° | 123.3° |
| C18 | C26 | C20 | C27 | 14.1° | 35.7° |
| C18 | C26 | C20 | H201 | 134.1° | 82.5° |
| C18 | C26 | C20 | H202 | 107.6° | 153.7° |
| C18 | C26 | O4 | C31 | 174.9° | 89.4° |
| H26 | C26 | C18 | N3 | 158.8° | 96.2° |
| H26 | C26 | C18 | H181 | 38.8° | 23.3° |
| H26 | C26 | C18 | H182 | 78.9° | 144.5° |
| H26 | C26 | C20 | C27 | 140.4° | 82.9° |
| H26 | C26 | C20 | H201 | 99.6° | 159.0° |
| H26 | C26 | C20 | H202 | 18.7° | 35.2° |
| H26 | C26 | O4 | C31 | 58.5° | 33.9° |
| N3 | C18 | H181 | H182 | 122.6° | 121.1° |
| C18 | N3 | C27 | HN3 | 120.0° | 122.2° |
| C18 | N3 | C27 | C20 | 38.1° | 24.2° |
| C18 | N3 | C27 | H27 | 81.6° | 94.8° |
| H181 | C18 | N3 | C27 | 72.1° | 118.4° |
| H181 | C18 | N3 | HN3 | 47.9° | 3.8° |
| H182 | C18 | N3 | C27 | 170.3° | 120.4° |
| H182 | C18 | N3 | HN3 | 69.8° | 117.3° |
| N3 | C27 | C20 | H27 | 121.9° | 118.9° |
| N3 | C27 | C20 | H201 | 106.0° | 81.0° |
| N3 | C27 | C20 | H202 | 135.7° | 155.2° |
| HN3 | N3 | C27 | C20 | 158.1° | 146.4° |
| HN3 | N3 | C27 | H27 | 38.3° | 27.4° |
| C27 | C20 | H201 | H202 | 121.8° | 123.9° |
| H201 | C20 | C27 | H27 | 132.1° | 160.1° |
| H202 | C20 | C27 | H27 | 13.8° | 36.2° |
| O4 | C31 | C36 | C32 | 179.9° | 179.7° |
| O4 | C31 | C32 | C33 | 179.9° | 179.9° |
| O4 | C31 | C32 | H32 | 0.1° | 0.0° |
| O4 | C31 | C36 | C35 | 179.9° | 179.7° |
| O4 | C31 | C36 | H36 | 0.1° | 0.0° |
| C36 | C31 | C32 | C33 | 0.0° | 0.2° |
| C36 | C31 | C32 | H32 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.1° | 0.6° |
| C31 | C36 | C35 | H36 | 180.0° | 179.7° |
| C31 | C36 | C35 | H35 | 180.0° | 179.7° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | C36 | C35 | 0.0° | 0.6° |
| C32 | C31 | C36 | H36 | 180.0° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| H32 | C32 | C33 | C34 | 180.0° | 180.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.3° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| H33 | C33 | C34 | C35 | 179.9° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C34 | C35 | C36 | H36 | 179.9° | 179.7° |
| H34 | C34 | C35 | C36 | 179.9° | 179.7° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.1° |
