SC6
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 | 1.40Å | Aromatic |
| C4 | C14 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | N1 | sing | 1.35Å | 1.41Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C8 | sing | 1.47Å | 1.48Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.55Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | O5 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | 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 | 1.23Å | |
| C14 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C15 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| 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 | 1.51Å | |
| 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 | 1.41Å | 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 | 1.54Å | |
| C26 | O4 | sing | 1.43Å | 1.43Å | |
| C26 | C18 | sing | 1.54Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | N3 | sing | 1.47Å | 1.46Å | |
| 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 | 1.41Å | 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 | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | 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 | |
| C37 | O5 | sing | 1.43Å | 1.41Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.3° | 120.1° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | C5 | 119.3° | 119.9° |
| C1 | C6 | C7 | 121.3° | 120.1° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | C3 | 119.3° | 120.3° |
| C1 | C2 | C30 | 119.9° | 119.8° |
| C3 | C2 | C30 | 120.8° | 119.8° |
| C2 | C3 | C4 | 120.6° | 120.1° |
| C2 | C3 | H3 | 119.7° | 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 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.0° | 119.9° |
| C3 | C4 | C14 | 120.3° | 120.1° |
| C5 | C4 | C14 | 120.8° | 120.1° |
| C4 | C5 | C6 | 121.5° | 119.7° |
| C4 | C5 | H5 | 119.2° | 120.1° |
| C4 | C14 | O2 | 122.6° | 120.0° |
| C4 | C14 | N2 | 115.5° | 120.0° |
| C6 | C5 | H5 | 119.2° | 120.2° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C6 | C7 | N1 | 120.3° | 120.0° |
| C6 | C7 | O1 | 120.1° | 120.0° |
| N1 | C7 | O1 | 119.6° | 120.0° |
| C7 | N1 | C8 | 128.7° | 125.6° |
| C7 | N1 | C11 | 122.1° | 125.7° |
| C8 | N1 | C11 | 109.2° | 108.7° |
| N1 | C8 | C9 | 100.9° | 104.8° |
| N1 | C8 | H81 | 112.4° | 110.3° |
| N1 | C8 | H82 | 114.2° | 110.4° |
| N1 | C11 | C10 | 104.0° | 107.3° |
| N1 | C11 | C12 | 110.2° | 109.9° |
| N1 | C11 | H11 | 112.9° | 109.8° |
| C9 | C8 | H81 | 112.5° | 110.4° |
| C9 | C8 | H82 | 114.2° | 110.3° |
| C8 | C9 | C10 | 104.7° | 101.6° |
| C8 | C9 | H91 | 111.1° | 111.0° |
| C8 | C9 | H92 | 112.1° | 111.1° |
| H81 | C8 | H82 | 103.1° | 110.4° |
| C10 | C9 | H91 | 111.1° | 111.0° |
| C10 | C9 | H92 | 112.1° | 111.0° |
| C9 | C10 | C11 | 105.8° | 102.9° |
| C9 | C10 | H101 | 110.7° | 110.7° |
| C9 | C10 | H102 | 111.5° | 110.8° |
| H91 | C9 | H92 | 105.9° | 110.9° |
| C11 | C10 | H101 | 110.7° | 110.9° |
| C11 | C10 | H102 | 111.5° | 110.6° |
| C10 | C11 | C12 | 110.4° | 109.8° |
| C10 | C11 | H11 | 112.7° | 110.0° |
| H101 | C10 | H102 | 106.7° | 110.7° |
| C12 | C11 | H11 | 106.7° | 110.0° |
| C11 | C12 | O5 | 110.8° | 109.5° |
| C11 | C12 | H121 | 109.0° | 109.4° |
| C11 | C12 | H122 | 108.7° | 109.5° |
| O5 | C12 | H121 | 109.0° | 109.5° |
| O5 | C12 | H122 | 108.8° | 109.5° |
| C12 | O5 | C37 | 115.4° | 114.0° |
| H121 | C12 | H122 | 110.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| O2 | C14 | N2 | 121.9° | 120.0° |
| C14 | N2 | C15 | 123.4° | 120.0° |
| C14 | N2 | HN2 | 118.3° | 119.9° |
| C15 | N2 | HN2 | 118.3° | 120.0° |
| N2 | C15 | C17 | 108.7° | 109.5° |
| N2 | C15 | C16 | 112.0° | 109.5° |
| N2 | C15 | H15 | 108.5° | 109.4° |
| C17 | C15 | C16 | 110.4° | 109.5° |
| C17 | C15 | H15 | 110.3° | 109.5° |
| C15 | C17 | C19 | 115.0° | 109.5° |
| C15 | C17 | H171 | 107.6° | 109.4° |
| C15 | C17 | H172 | 106.4° | 109.5° |
| C16 | C15 | H15 | 106.9° | 109.5° |
| C15 | C16 | O3 | 107.9° | 109.5° |
| C15 | C16 | C27 | 115.1° | 109.4° |
| C15 | C16 | H16 | 106.0° | 109.5° |
| O3 | C16 | C27 | 107.3° | 109.5° |
| O3 | C16 | H16 | 114.0° | 109.6° |
| C16 | O3 | HO3 | 109.5° | 114.0° |
| C27 | C16 | H16 | 106.7° | 109.4° |
| C16 | C27 | N3 | 112.1° | 110.4° |
| C16 | C27 | C20 | 115.0° | 110.3° |
| C16 | C27 | H27 | 102.2° | 110.3° |
| C19 | C17 | H171 | 107.7° | 109.5° |
| C19 | C17 | H172 | 106.4° | 109.5° |
| C17 | C19 | C25 | 121.2° | 120.0° |
| C17 | C19 | C21 | 119.7° | 120.0° |
| H171 | C17 | H172 | 113.9° | 109.4° |
| C25 | C19 | C21 | 119.1° | 120.0° |
| C19 | C25 | C24 | 119.4° | 120.1° |
| C19 | C25 | H25 | 120.3° | 120.0° |
| C19 | C21 | C22 | 119.6° | 120.0° |
| C19 | C21 | H21 | 120.2° | 120.0° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C21 | C22 | C23 | 122.4° | 120.0° |
| C21 | C22 | F2 | 118.5° | 120.0° |
| C23 | C22 | F2 | 119.0° | 120.0° |
| C22 | C23 | C24 | 117.3° | 119.9° |
| C22 | C23 | H23 | 121.4° | 120.0° |
| C24 | C23 | H23 | 121.4° | 120.1° |
| C23 | C24 | F1 | 118.6° | 120.0° |
| C23 | C24 | C25 | 122.2° | 120.0° |
| F1 | C24 | C25 | 119.1° | 120.0° |
| C24 | C25 | H25 | 120.3° | 120.0° |
| C20 | C26 | O4 | 113.2° | 110.7° |
| C20 | C26 | C18 | 102.7° | 103.0° |
| C20 | C26 | H26 | 110.3° | 110.7° |
| C26 | C20 | C27 | 105.2° | 101.7° |
| C26 | C20 | H201 | 110.9° | 111.0° |
| C26 | C20 | H202 | 111.9° | 111.0° |
| O4 | C26 | C18 | 105.5° | 110.7° |
| O4 | C26 | H26 | 107.8° | 110.6° |
| C26 | O4 | C31 | 119.9° | 117.0° |
| C18 | C26 | H26 | 117.4° | 110.8° |
| C26 | C18 | N3 | 103.2° | 107.2° |
| C26 | C18 | H181 | 111.6° | 109.9° |
| C26 | C18 | H182 | 113.0° | 109.9° |
| N3 | C18 | H181 | 111.6° | 109.9° |
| N3 | C18 | H182 | 113.0° | 109.8° |
| C18 | N3 | C27 | 103.7° | 108.6° |
| C18 | N3 | HN3 | 111.4° | 111.0° |
| H181 | C18 | H182 | 104.7° | 110.1° |
| C27 | N3 | HN3 | 111.4° | 111.0° |
| N3 | C27 | C20 | 104.5° | 104.8° |
| N3 | C27 | H27 | 113.2° | 110.4° |
| C27 | C20 | H201 | 110.9° | 111.0° |
| C27 | C20 | H202 | 111.9° | 111.0° |
| C20 | C27 | H27 | 110.2° | 110.4° |
| H201 | C20 | H202 | 106.2° | 110.9° |
| O4 | C31 | C36 | 114.4° | 120.1° |
| O4 | C31 | C32 | 126.5° | 120.1° |
| C36 | C31 | C32 | 119.1° | 119.8° |
| C31 | C36 | C35 | 120.7° | 120.0° |
| C31 | C36 | H36 | 119.7° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.1° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.1° |
| C33 | C34 | H34 | 120.0° | 120.0° |
| C35 | C34 | H34 | 120.0° | 119.9° |
| C34 | C35 | C36 | 120.2° | 120.1° |
| C34 | C35 | H35 | 119.9° | 119.9° |
| C36 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | H36 | 119.6° | 120.0° |
| O5 | C37 | H371 | 109.5° | 109.5° |
| O5 | C37 | H372 | 109.5° | 109.5° |
| O5 | C37 | H373 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.4° |
| H372 | C37 | H373 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | C30 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | C7 | 179.2° | 179.9° |
| C1 | C6 | C5 | H5 | 179.5° | 180.0° |
| C1 | C6 | C7 | N1 | 125.9° | 19.4° |
| C1 | C6 | C7 | O1 | 55.0° | 160.6° |
| C1 | C2 | C3 | C30 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | C7 | 179.5° | 180.0° |
| C1 | C2 | C30 | H301 | 96.9° | 90.0° |
| C1 | C2 | C30 | H302 | 23.1° | 150.0° |
| C1 | C2 | C30 | H303 | 143.1° | 30.0° |
| H1 | C1 | C2 | C3 | 179.9° | 179.8° |
| H1 | C1 | C2 | C30 | 0.2° | 0.2° |
| H1 | C1 | C6 | C5 | 179.7° | 179.7° |
| H1 | C1 | C6 | C7 | 0.5° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C14 | 179.8° | 179.9° |
| C3 | C2 | C30 | H301 | 83.2° | 90.0° |
| C3 | C2 | C30 | H302 | 156.8° | 30.0° |
| C3 | C2 | C30 | H303 | 36.8° | 150.0° |
| C30 | C2 | C3 | C4 | 179.9° | 180.0° |
| C30 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C30 | H301 | H302 | 120.0° | 120.0° |
| C2 | C30 | H301 | H303 | 120.0° | 120.1° |
| C2 | C30 | H302 | H303 | 120.0° | 120.0° |
| C3 | C4 | C5 | C14 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C3 | C4 | C14 | O2 | 31.0° | 180.0° |
| C3 | C4 | C14 | N2 | 149.2° | 0.1° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C14 | 0.2° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | C4 | C14 | O2 | 149.1° | 0.1° |
| C5 | C4 | C14 | N2 | 30.8° | 180.0° |
| C14 | C4 | C5 | C6 | 179.6° | 179.9° |
| C14 | C4 | C5 | H5 | 0.4° | 0.0° |
| C4 | C14 | O2 | N2 | 179.8° | 179.9° |
| C4 | C14 | N2 | C15 | 179.7° | 180.0° |
| C4 | C14 | N2 | HN2 | 0.3° | 0.1° |
| C5 | C6 | C7 | N1 | 54.9° | 160.7° |
| C5 | C6 | C7 | O1 | 124.2° | 19.3° |
| H5 | C5 | C6 | C7 | 0.3° | 0.1° |
| C6 | C7 | N1 | O1 | 179.2° | 180.0° |
| C6 | C7 | N1 | C8 | 1.0° | 5.7° |
| C6 | C7 | N1 | C11 | 179.3° | 174.6° |
| C7 | N1 | C8 | C11 | 179.7° | 179.7° |
| C7 | N1 | C8 | C9 | 139.6° | 155.8° |
| C7 | N1 | C8 | H81 | 100.3° | 85.3° |
| C7 | N1 | C8 | H82 | 16.6° | 37.0° |
| C7 | N1 | C11 | C10 | 151.3° | 179.0° |
| C7 | N1 | C11 | C12 | 90.4° | 61.6° |
| C7 | N1 | C11 | H11 | 28.8° | 59.5° |
| O1 | C7 | N1 | C8 | 179.8° | 174.3° |
| O1 | C7 | N1 | C11 | 0.2° | 5.4° |
| N1 | C8 | C9 | H81 | 120.0° | 118.8° |
| N1 | C8 | C9 | H82 | 123.0° | 118.8° |
| N1 | C8 | H81 | H82 | 123.4° | 122.3° |
| N1 | C8 | C9 | C10 | 34.8° | 37.0° |
| N1 | C8 | C9 | H91 | 154.8° | 155.1° |
| N1 | C8 | C9 | H92 | 86.9° | 81.1° |
| C8 | N1 | C11 | C10 | 28.5° | 0.7° |
| C8 | N1 | C11 | C12 | 89.9° | 118.6° |
| C8 | N1 | C11 | H11 | 150.9° | 120.3° |
| C11 | N1 | C8 | C9 | 40.0° | 23.9° |
| C11 | N1 | C8 | H81 | 80.0° | 95.0° |
| C11 | N1 | C8 | H82 | 163.1° | 142.7° |
| N1 | C11 | C10 | C9 | 4.8° | 22.5° |
| N1 | C11 | C10 | C12 | 118.2° | 119.4° |
| N1 | C11 | C10 | H11 | 122.6° | 119.4° |
| N1 | C11 | C10 | H101 | 124.8° | 95.9° |
| N1 | C11 | C10 | H102 | 116.7° | 140.8° |
| N1 | C11 | C12 | H11 | 122.9° | 121.0° |
| N1 | C11 | C12 | O5 | 55.4° | 65.0° |
| N1 | C11 | C12 | H121 | 64.6° | 175.0° |
| N1 | C11 | C12 | H122 | 174.8° | 55.0° |
| C9 | C8 | H81 | H82 | 123.5° | 122.3° |
| C8 | C9 | C10 | H91 | 120.0° | 118.0° |
| C8 | C9 | C10 | H92 | 121.8° | 118.1° |
| C8 | C9 | H91 | H92 | 121.9° | 123.9° |
| C8 | C9 | C10 | C11 | 18.9° | 35.7° |
| C8 | C9 | C10 | H101 | 101.1° | 82.9° |
| C8 | C9 | C10 | H102 | 140.3° | 153.9° |
| H81 | C8 | C9 | C10 | 85.2° | 81.8° |
| H81 | C8 | C9 | H91 | 34.8° | 36.2° |
| H81 | C8 | C9 | H92 | 153.1° | 160.1° |
| H82 | C8 | C9 | C10 | 157.8° | 155.8° |
| H82 | C8 | C9 | H91 | 82.2° | 86.1° |
| H82 | C8 | C9 | H92 | 36.1° | 37.7° |
| C10 | C9 | H91 | H92 | 122.0° | 123.9° |
| C9 | C10 | C11 | H101 | 120.0° | 118.4° |
| C9 | C10 | C11 | H102 | 121.4° | 118.3° |
| C9 | C10 | H101 | H102 | 121.5° | 123.2° |
| C9 | C10 | C11 | C12 | 113.4° | 141.9° |
| C9 | C10 | C11 | H11 | 127.3° | 96.9° |
| H91 | C9 | C10 | C11 | 138.9° | 153.8° |
| H91 | C9 | C10 | H101 | 18.9° | 35.2° |
| H91 | C9 | C10 | H102 | 99.7° | 88.0° |
| H92 | C9 | C10 | C11 | 102.9° | 82.4° |
| H92 | C9 | C10 | H101 | 137.1° | 159.0° |
| H92 | C9 | C10 | H102 | 18.5° | 35.8° |
| C11 | C10 | H101 | H102 | 121.5° | 123.2° |
| C10 | C11 | C12 | H11 | 122.8° | 121.2° |
| C10 | C11 | C12 | O5 | 169.7° | 52.7° |
| C10 | C11 | C12 | H121 | 49.7° | 67.2° |
| C10 | C11 | C12 | H122 | 70.9° | 172.8° |
| H101 | C10 | C11 | C12 | 6.5° | 23.4° |
| H101 | C10 | C11 | H11 | 112.7° | 144.6° |
| H102 | C10 | C11 | C12 | 125.1° | 99.8° |
| H102 | C10 | C11 | H11 | 5.9° | 21.4° |
| C11 | C12 | O5 | H121 | 120.0° | 119.9° |
| C11 | C12 | O5 | H122 | 119.4° | 120.0° |
| C11 | C12 | H121 | H122 | 119.4° | 120.0° |
| C11 | C12 | O5 | C37 | 171.8° | 180.0° |
| H11 | C11 | C12 | O5 | 67.6° | 173.9° |
| H11 | C11 | C12 | H121 | 172.5° | 54.0° |
| H11 | C11 | C12 | H122 | 51.9° | 66.0° |
| O5 | C12 | H121 | H122 | 119.5° | 120.1° |
| C12 | O5 | C37 | H371 | 9.8° | 60.0° |
| C12 | O5 | C37 | H372 | 110.2° | 60.0° |
| C12 | O5 | C37 | H373 | 129.8° | 180.0° |
| H121 | C12 | O5 | C37 | 51.8° | 60.0° |
| H122 | C12 | O5 | C37 | 68.8° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 119.9° |
| O2 | C14 | N2 | C15 | 0.2° | 0.1° |
| O2 | C14 | N2 | HN2 | 179.9° | 180.0° |
| C14 | N2 | C15 | HN2 | 180.0° | 179.9° |
| C14 | N2 | C15 | C17 | 132.6° | 84.9° |
| C14 | N2 | C15 | C16 | 105.1° | 155.0° |
| C14 | N2 | C15 | H15 | 12.6° | 35.1° |
| N2 | C15 | C17 | C16 | 123.3° | 120.0° |
| N2 | C15 | C17 | H15 | 118.9° | 120.0° |
| N2 | C15 | C16 | H15 | 118.8° | 119.9° |
| N2 | C15 | C16 | O3 | 176.5° | 65.1° |
| N2 | C15 | C16 | C27 | 56.8° | 175.0° |
| N2 | C15 | C16 | H16 | 60.9° | 55.0° |
| N2 | C15 | C17 | C19 | 47.8° | 65.0° |
| N2 | C15 | C17 | H171 | 72.2° | 55.0° |
| N2 | C15 | C17 | H172 | 165.3° | 175.0° |
| HN2 | N2 | C15 | C17 | 47.4° | 95.0° |
| HN2 | N2 | C15 | C16 | 74.9° | 25.1° |
| HN2 | N2 | C15 | H15 | 167.4° | 145.0° |
| C17 | C15 | C16 | H15 | 119.9° | 120.0° |
| C17 | C15 | C16 | O3 | 62.2° | 55.0° |
| C17 | C15 | C16 | C27 | 178.1° | 65.0° |
| C17 | C15 | C16 | H16 | 60.4° | 175.1° |
| C15 | C17 | C19 | H171 | 120.0° | 120.0° |
| C15 | C17 | C19 | H172 | 117.5° | 120.1° |
| C15 | C17 | H171 | H172 | 117.7° | 120.0° |
| C15 | C17 | C19 | C25 | 59.1° | 90.0° |
| C15 | C17 | C19 | C21 | 120.8° | 89.7° |
| C15 | C16 | O3 | C27 | 124.6° | 119.9° |
| C15 | C16 | O3 | H16 | 117.5° | 120.0° |
| C15 | C16 | C27 | H16 | 117.3° | 120.0° |
| C16 | C15 | C17 | C19 | 171.1° | 175.0° |
| C16 | C15 | C17 | H171 | 51.1° | 65.0° |
| C16 | C15 | C17 | H172 | 71.4° | 55.0° |
| C15 | C16 | O3 | HO3 | 152.4° | 60.0° |
| C15 | C16 | C27 | N3 | 178.8° | 61.5° |
| C15 | C16 | C27 | C20 | 59.7° | 176.8° |
| C15 | C16 | C27 | H27 | 59.7° | 60.8° |
| H15 | C15 | C16 | O3 | 57.8° | 175.0° |
| H15 | C15 | C16 | C27 | 62.0° | 55.0° |
| H15 | C15 | C16 | H16 | 179.7° | 64.9° |
| H15 | C15 | C17 | C19 | 71.1° | 55.0° |
| H15 | C15 | C17 | H171 | 168.9° | 175.0° |
| H15 | C15 | C17 | H172 | 46.4° | 65.1° |
| O3 | C16 | C27 | H16 | 122.6° | 120.1° |
| O3 | C16 | C27 | N3 | 58.7° | 178.6° |
| O3 | C16 | C27 | C20 | 60.4° | 63.2° |
| O3 | C16 | C27 | H27 | 179.8° | 59.1° |
| C27 | C16 | O3 | HO3 | 27.9° | 60.0° |
| C16 | C27 | C20 | C26 | 136.4° | 155.9° |
| C16 | C27 | N3 | C18 | 162.0° | 142.9° |
| C16 | C27 | N3 | C20 | 125.2° | 118.8° |
| C16 | C27 | N3 | H27 | 115.0° | 122.3° |
| C16 | C27 | N3 | HN3 | 78.0° | 94.8° |
| C16 | C27 | C20 | H27 | 114.8° | 122.3° |
| C16 | C27 | C20 | H201 | 16.4° | 37.8° |
| C16 | C27 | C20 | H202 | 102.0° | 86.0° |
| H16 | C16 | O3 | HO3 | 90.0° | 180.0° |
| H16 | C16 | C27 | N3 | 63.8° | 58.5° |
| H16 | C16 | C27 | C20 | 177.0° | 56.9° |
| H16 | C16 | C27 | H27 | 57.6° | 179.2° |
| C19 | C17 | H171 | H172 | 117.7° | 120.0° |
| C17 | C19 | C25 | C21 | 180.0° | 179.7° |
| C17 | C19 | C21 | C22 | 179.9° | 180.0° |
| C17 | C19 | C21 | H21 | 0.1° | 0.1° |
| C17 | C19 | C25 | C24 | 179.9° | 179.8° |
| C17 | C19 | C25 | H25 | 0.1° | 0.0° |
| H171 | C17 | C19 | C25 | 179.1° | 30.0° |
| H171 | C17 | C19 | C21 | 0.9° | 150.3° |
| H172 | C17 | C19 | C25 | 58.4° | 150.0° |
| H172 | C17 | C19 | C21 | 121.6° | 30.4° |
| C25 | C19 | C21 | C22 | 0.2° | 0.3° |
| C25 | C19 | C21 | H21 | 179.8° | 179.8° |
| C19 | C25 | C24 | C23 | 0.0° | 0.5° |
| C19 | C25 | C24 | F1 | 179.9° | 179.7° |
| C19 | C25 | C24 | H25 | 180.0° | 179.8° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 0.1° | 0.0° |
| C19 | C21 | C22 | F2 | 179.9° | 180.0° |
| C21 | C19 | C25 | C24 | 0.1° | 0.5° |
| C21 | C19 | C25 | H25 | 179.9° | 179.7° |
| C21 | C22 | C23 | F2 | 180.0° | 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 | 0.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | F1 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.2° |
| F2 | C22 | C23 | C24 | 180.0° | 180.0° |
| F2 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C24 | F1 | C25 | 180.0° | 179.8° |
| C23 | C24 | C25 | H25 | 179.9° | 179.7° |
| H23 | C23 | C24 | F1 | 0.0° | 0.1° |
| H23 | C23 | C24 | C25 | 180.0° | 179.8° |
| F1 | C24 | C25 | H25 | 0.1° | 0.1° |
| C20 | C26 | O4 | C18 | 111.5° | 113.6° |
| C20 | C26 | O4 | H26 | 122.3° | 123.2° |
| C20 | C26 | C18 | H26 | 121.2° | 118.5° |
| C20 | C26 | C18 | N3 | 37.1° | 22.3° |
| C20 | C26 | C18 | H181 | 82.9° | 141.7° |
| C20 | C26 | C18 | H182 | 159.4° | 97.1° |
| C26 | C20 | C27 | N3 | 13.0° | 37.1° |
| C26 | C20 | C27 | H201 | 120.0° | 118.1° |
| C26 | C20 | C27 | H202 | 121.6° | 118.1° |
| C26 | C20 | H201 | H202 | 121.7° | 123.8° |
| C26 | C20 | C27 | H27 | 108.8° | 81.8° |
| C20 | C26 | O4 | C31 | 65.1° | 156.4° |
| O4 | C26 | C18 | H26 | 120.0° | 123.1° |
| O4 | C26 | C18 | N3 | 81.7° | 140.7° |
| O4 | C26 | C18 | H181 | 158.4° | 99.9° |
| O4 | C26 | C18 | H182 | 40.7° | 21.4° |
| O4 | C26 | C20 | C27 | 98.8° | 154.0° |
| O4 | C26 | C20 | H201 | 21.2° | 35.9° |
| O4 | C26 | C20 | H202 | 139.6° | 87.9° |
| C26 | O4 | C31 | C36 | 148.6° | 174.3° |
| C26 | O4 | C31 | C32 | 31.2° | 5.4° |
| C26 | C18 | N3 | H181 | 120.0° | 119.4° |
| C26 | C18 | N3 | H182 | 122.3° | 119.4° |
| C26 | C18 | H181 | H182 | 122.5° | 121.1° |
| C26 | C18 | N3 | C27 | 46.7° | 1.0° |
| C26 | C18 | N3 | HN3 | 166.7° | 123.3° |
| C18 | C26 | C20 | C27 | 14.4° | 35.6° |
| C18 | C26 | C20 | H201 | 134.4° | 82.5° |
| C18 | C26 | C20 | H202 | 107.2° | 153.8° |
| C18 | C26 | O4 | C31 | 176.6° | 90.0° |
| H26 | C26 | C18 | N3 | 158.3° | 96.2° |
| H26 | C26 | C18 | H181 | 38.3° | 23.2° |
| H26 | C26 | C18 | H182 | 79.4° | 144.5° |
| H26 | C26 | C20 | C27 | 140.4° | 82.9° |
| H26 | C26 | C20 | H201 | 99.6° | 159.0° |
| H26 | C26 | C20 | H202 | 18.7° | 35.3° |
| H26 | C26 | O4 | C31 | 57.2° | 33.2° |
| N3 | C18 | H181 | H182 | 122.6° | 121.1° |
| C18 | N3 | C27 | HN3 | 120.0° | 122.3° |
| C18 | N3 | C27 | C20 | 36.8° | 24.1° |
| C18 | N3 | C27 | H27 | 83.1° | 94.8° |
| H181 | C18 | N3 | C27 | 73.3° | 118.4° |
| H181 | C18 | N3 | HN3 | 46.7° | 3.8° |
| H182 | C18 | N3 | C27 | 169.0° | 120.4° |
| H182 | C18 | N3 | HN3 | 71.0° | 117.4° |
| N3 | C27 | C20 | H27 | 121.8° | 118.9° |
| N3 | C27 | C20 | H201 | 107.0° | 81.0° |
| N3 | C27 | C20 | H202 | 134.7° | 155.1° |
| HN3 | N3 | C27 | C20 | 156.8° | 146.4° |
| HN3 | N3 | C27 | H27 | 36.9° | 27.5° |
| C27 | C20 | H201 | H202 | 121.8° | 123.9° |
| H201 | C20 | C27 | H27 | 131.2° | 160.1° |
| H202 | C20 | C27 | H27 | 12.8° | 36.3° |
| O4 | C31 | C36 | C32 | 179.8° | 179.7° |
| O4 | C31 | C32 | C33 | 179.9° | 180.0° |
| O4 | C31 | C32 | H32 | 0.1° | 0.0° |
| O4 | C31 | C36 | C35 | 180.0° | 179.7° |
| O4 | C31 | C36 | H36 | 0.0° | 0.0° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C36 | C31 | C32 | H32 | 179.9° | 179.8° |
| C31 | C36 | C35 | C34 | 0.1° | 0.6° |
| C31 | C36 | C35 | H36 | 180.0° | 179.7° |
| C31 | C36 | C35 | H35 | 179.9° | 179.6° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | C36 | C35 | 0.1° | 0.5° |
| C32 | C31 | C36 | H36 | 179.9° | 179.8° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| H32 | C32 | C33 | C34 | 179.9° | 179.9° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.3° |
| C33 | C34 | C35 | H35 | 180.0° | 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° | 179.8° |
| H34 | C34 | C35 | C36 | 179.9° | 179.7° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| O5 | C37 | H371 | H372 | 120.0° | 120.0° |
| O5 | C37 | H371 | H373 | 120.0° | 120.0° |
| O5 | C37 | H372 | H373 | 120.0° | 120.0° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
