SC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.35Å | 1.33Å | |
| F2 | C23 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C7 | sing | 1.48Å | 1.46Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C15 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C14 | sing | 1.51Å | 1.48Å | |
| C7 | N1 | sing | 1.35Å | 1.36Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C12 | sing | 1.53Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| 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 | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | O2 | doub | 1.22Å | 1.22Å | |
| C15 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C16 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | sing | 1.43Å | 1.44Å | |
| C17 | C25 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | N3 | sing | 1.47Å | 1.48Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O4 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | N3 | sing | 1.47Å | 1.49Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| O4 | C30 | sing | 1.43Å | 1.42Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | C20 | 120.0° | 120.0° |
| F1 | C21 | C22 | 119.9° | 120.0° |
| F2 | C23 | C22 | 119.8° | 120.0° |
| F2 | C23 | C24 | 119.6° | 120.0° |
| C2 | C1 | C6 | 119.8° | 120.2° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | C7 | 119.6° | 120.1° |
| C1 | C2 | C3 | 120.0° | 119.8° |
| C6 | C1 | H1 | 120.1° | 119.9° |
| C1 | C6 | C5 | 120.4° | 120.3° |
| C1 | C6 | C14 | 120.3° | 119.9° |
| C7 | C2 | C3 | 120.4° | 120.1° |
| C2 | C7 | N1 | 120.2° | 120.0° |
| C2 | C7 | O1 | 119.2° | 120.0° |
| C2 | C3 | C4 | 119.9° | 119.7° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.2° |
| C3 | C4 | C15 | 120.8° | 120.1° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C15 | C4 | C5 | 119.2° | 120.1° |
| C4 | C15 | O2 | 122.5° | 120.0° |
| C4 | C15 | N2 | 114.6° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C5 | C6 | C14 | 119.3° | 119.9° |
| C6 | C14 | H141 | 109.5° | 109.5° |
| C6 | C14 | H142 | 109.5° | 109.5° |
| C6 | C14 | H143 | 109.5° | 109.5° |
| N1 | C7 | O1 | 120.6° | 120.0° |
| C7 | N1 | C9 | 125.2° | 120.0° |
| C7 | N1 | C8 | 116.9° | 120.0° |
| C9 | N1 | C8 | 117.9° | 120.0° |
| N1 | C9 | C10 | 108.0° | 109.5° |
| N1 | C9 | H91 | 110.0° | 109.4° |
| N1 | C9 | H92 | 110.3° | 109.5° |
| N1 | C8 | C12 | 109.2° | 109.5° |
| N1 | C8 | H81 | 109.6° | 109.5° |
| N1 | C8 | H82 | 109.6° | 109.4° |
| C12 | C8 | H81 | 109.6° | 109.5° |
| C12 | C8 | H82 | 109.6° | 109.5° |
| C8 | C12 | C13 | 114.0° | 109.5° |
| C8 | C12 | H121 | 108.0° | 109.5° |
| C8 | C12 | H122 | 106.9° | 109.4° |
| H81 | C8 | H82 | 109.3° | 109.4° |
| C10 | C9 | H91 | 110.0° | 109.5° |
| C10 | C9 | H92 | 110.3° | 109.5° |
| C9 | C10 | C11 | 112.8° | 109.4° |
| C9 | C10 | H101 | 108.4° | 109.5° |
| C9 | C10 | H102 | 107.6° | 109.5° |
| H91 | C9 | H92 | 108.3° | 109.5° |
| C11 | C10 | H101 | 108.4° | 109.5° |
| C11 | C10 | H102 | 107.6° | 109.4° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| H101 | C10 | H102 | 112.1° | 109.6° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C13 | C12 | H121 | 108.0° | 109.5° |
| C13 | C12 | H122 | 106.9° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.4° |
| H121 | C12 | H122 | 113.1° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| O2 | C15 | N2 | 123.0° | 120.0° |
| C15 | N2 | C16 | 120.0° | 120.0° |
| C15 | N2 | HN2 | 120.0° | 120.0° |
| C16 | N2 | HN2 | 120.0° | 120.0° |
| N2 | C16 | C18 | 108.4° | 109.5° |
| N2 | C16 | C17 | 112.8° | 109.5° |
| N2 | C16 | H16 | 108.5° | 109.5° |
| C18 | C16 | C17 | 110.8° | 109.5° |
| C18 | C16 | H16 | 110.5° | 109.5° |
| C16 | C18 | C19 | 110.4° | 109.5° |
| C16 | C18 | H181 | 109.1° | 109.5° |
| C16 | C18 | H182 | 108.9° | 109.5° |
| C17 | C16 | H16 | 105.9° | 109.5° |
| C16 | C17 | O3 | 109.6° | 109.5° |
| C16 | C17 | C25 | 112.3° | 109.5° |
| C16 | C17 | H17 | 106.7° | 109.5° |
| O3 | C17 | C25 | 107.2° | 109.5° |
| O3 | C17 | H17 | 111.9° | 109.5° |
| C17 | O3 | HO3 | 109.5° | 114.0° |
| C25 | C17 | H17 | 109.2° | 109.4° |
| C17 | C25 | C26 | 111.0° | 109.5° |
| C17 | C25 | N3 | 107.3° | 109.5° |
| C17 | C25 | H25 | 110.4° | 109.4° |
| C19 | C18 | H181 | 109.1° | 109.5° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C19 | C24 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| H181 | C18 | H182 | 110.2° | 109.5° |
| C24 | C19 | C20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 119.9° | 120.0° |
| C19 | C24 | H24 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C23 | C22 | H22 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C26 | C25 | N3 | 110.9° | 109.5° |
| C26 | C25 | H25 | 106.7° | 109.4° |
| C25 | C26 | C27 | 112.4° | 109.3° |
| C25 | C26 | H261 | 108.5° | 109.5° |
| C25 | C26 | H262 | 107.9° | 109.5° |
| N3 | C25 | H25 | 110.6° | 109.5° |
| C25 | N3 | C29 | 114.2° | 111.2° |
| C25 | N3 | HN3 | 107.9° | 111.0° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C27 | C26 | H262 | 107.9° | 109.5° |
| C26 | C27 | O4 | 107.1° | 109.6° |
| C26 | C27 | C28 | 110.7° | 109.1° |
| C26 | C27 | H27 | 110.8° | 109.5° |
| H261 | C26 | H262 | 111.7° | 109.5° |
| O4 | C27 | C28 | 111.2° | 109.6° |
| O4 | C27 | H27 | 110.4° | 109.5° |
| C27 | O4 | C30 | 111.0° | 114.0° |
| C28 | C27 | H27 | 106.7° | 109.5° |
| C27 | C28 | C29 | 110.9° | 109.3° |
| C27 | C28 | H281 | 109.0° | 109.5° |
| C27 | C28 | H282 | 108.7° | 109.5° |
| C29 | C28 | H281 | 109.0° | 109.5° |
| C29 | C28 | H282 | 108.7° | 109.5° |
| C28 | C29 | N3 | 109.5° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.4° |
| C28 | C29 | H292 | 109.4° | 109.5° |
| H281 | C28 | H282 | 110.6° | 109.5° |
| N3 | C29 | H291 | 109.4° | 109.4° |
| N3 | C29 | H292 | 109.5° | 109.5° |
| C29 | N3 | HN3 | 107.9° | 111.0° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| O4 | C30 | C31 | 107.4° | 109.5° |
| O4 | C30 | H301 | 110.2° | 109.4° |
| O4 | C30 | H302 | 110.7° | 109.5° |
| C31 | C30 | H301 | 110.2° | 109.5° |
| C31 | C30 | H302 | 110.6° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C30 | C31 | H313 | 109.4° | 109.5° |
| H301 | C30 | H302 | 107.8° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.4° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | C20 | C19 | 179.9° | 180.0° |
| F1 | C21 | C20 | C22 | 179.8° | 180.0° |
| F1 | C21 | C20 | H20 | 0.1° | 0.1° |
| F1 | C21 | C22 | C23 | 179.9° | 180.0° |
| F1 | C21 | C22 | H22 | 0.1° | 0.0° |
| F2 | C23 | C24 | C19 | 179.7° | 179.7° |
| F2 | C23 | C22 | C21 | 179.8° | 180.0° |
| F2 | C23 | C22 | C24 | 179.9° | 179.8° |
| F2 | C23 | C22 | H22 | 0.2° | 0.0° |
| F2 | C23 | C24 | H24 | 0.3° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C7 | C3 | 177.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | C14 | 179.6° | 180.0° |
| C1 | C2 | C7 | N1 | 124.8° | 47.0° |
| C1 | C2 | C7 | O1 | 55.9° | 132.9° |
| C6 | C1 | C2 | C7 | 178.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | C14 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1 | C6 | C14 | H141 | 97.8° | 90.0° |
| C1 | C6 | C14 | H142 | 22.2° | 150.0° |
| C1 | C6 | C14 | H143 | 142.2° | 30.0° |
| H1 | C1 | C2 | C7 | 1.7° | 0.2° |
| H1 | C1 | C2 | C3 | 179.2° | 179.7° |
| H1 | C1 | C6 | C5 | 179.6° | 179.8° |
| H1 | C1 | C6 | C14 | 0.4° | 0.3° |
| C7 | C2 | C3 | C4 | 178.0° | 179.9° |
| C7 | C2 | C3 | H3 | 2.0° | 0.1° |
| C2 | C7 | N1 | O1 | 179.2° | 180.0° |
| C2 | C7 | N1 | C9 | 2.0° | 174.6° |
| C2 | C7 | N1 | C8 | 178.8° | 5.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C15 | 178.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C7 | N1 | 57.7° | 133.0° |
| C3 | C2 | C7 | O1 | 121.6° | 47.0° |
| C3 | C4 | C15 | C5 | 178.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | H5 | 179.4° | 179.9° |
| C3 | C4 | C15 | O2 | 148.8° | 0.1° |
| C3 | C4 | C15 | N2 | 31.3° | 179.9° |
| H3 | C3 | C4 | C15 | 1.0° | 0.1° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| C15 | C4 | C5 | C6 | 179.4° | 179.9° |
| C15 | C4 | C5 | H5 | 0.6° | 0.0° |
| C4 | C15 | O2 | N2 | 180.0° | 180.0° |
| C4 | C15 | N2 | C16 | 178.7° | 180.0° |
| C4 | C15 | N2 | HN2 | 1.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C14 | 179.7° | 180.0° |
| C5 | C4 | C15 | O2 | 30.0° | 180.0° |
| C5 | C4 | C15 | N2 | 149.9° | 0.0° |
| C5 | C6 | C14 | H141 | 82.3° | 90.0° |
| C5 | C6 | C14 | H142 | 157.7° | 30.0° |
| C5 | C6 | C14 | H143 | 37.7° | 150.0° |
| H5 | C5 | C6 | C14 | 0.3° | 0.1° |
| C6 | C14 | H141 | H142 | 120.0° | 120.0° |
| C6 | C14 | H141 | H143 | 120.0° | 120.0° |
| C6 | C14 | H142 | H143 | 120.0° | 120.0° |
| C7 | N1 | C9 | C8 | 179.2° | 180.0° |
| C7 | N1 | C8 | C12 | 109.6° | 99.3° |
| C7 | N1 | C8 | H81 | 130.4° | 140.7° |
| C7 | N1 | C8 | H82 | 10.5° | 20.7° |
| C7 | N1 | C9 | C10 | 119.2° | 84.4° |
| C7 | N1 | C9 | H91 | 120.7° | 155.6° |
| C7 | N1 | C9 | H92 | 1.4° | 35.7° |
| O1 | C7 | N1 | C9 | 178.8° | 5.4° |
| O1 | C7 | N1 | C8 | 0.4° | 174.6° |
| C9 | N1 | C8 | C12 | 71.2° | 80.7° |
| C9 | N1 | C8 | H81 | 48.9° | 39.3° |
| C9 | N1 | C8 | H82 | 168.8° | 159.3° |
| N1 | C9 | C10 | H91 | 120.0° | 119.9° |
| N1 | C9 | C10 | H92 | 120.6° | 120.0° |
| N1 | C9 | H91 | H92 | 120.6° | 120.0° |
| N1 | C9 | C10 | C11 | 42.6° | 180.0° |
| N1 | C9 | C10 | H101 | 77.4° | 60.1° |
| N1 | C9 | C10 | H102 | 161.2° | 60.0° |
| N1 | C8 | C12 | H81 | 120.0° | 120.0° |
| N1 | C8 | C12 | H82 | 120.1° | 120.0° |
| N1 | C8 | H81 | H82 | 120.1° | 119.9° |
| C8 | N1 | C9 | C10 | 60.0° | 95.6° |
| C8 | N1 | C9 | H91 | 60.1° | 24.4° |
| C8 | N1 | C9 | H92 | 179.4° | 144.3° |
| N1 | C8 | C12 | C13 | 45.6° | 174.1° |
| N1 | C8 | C12 | H121 | 74.4° | 54.0° |
| N1 | C8 | C12 | H122 | 163.6° | 66.0° |
| C12 | C8 | H81 | H82 | 120.1° | 120.0° |
| C8 | C12 | C13 | H121 | 120.0° | 120.0° |
| C8 | C12 | C13 | H122 | 118.0° | 119.9° |
| C8 | C12 | H121 | H122 | 118.1° | 120.0° |
| C8 | C12 | C13 | H131 | 165.3° | 180.0° |
| C8 | C12 | C13 | H132 | 74.8° | 60.0° |
| C8 | C12 | C13 | H133 | 45.3° | 60.0° |
| H81 | C8 | C12 | C13 | 165.7° | 65.9° |
| H81 | C8 | C12 | H121 | 45.6° | 174.1° |
| H81 | C8 | C12 | H122 | 76.4° | 54.0° |
| H82 | C8 | C12 | C13 | 74.4° | 54.1° |
| H82 | C8 | C12 | H121 | 165.6° | 65.9° |
| H82 | C8 | C12 | H122 | 43.5° | 174.1° |
| C10 | C9 | H91 | H92 | 120.6° | 120.0° |
| C9 | C10 | C11 | H101 | 120.0° | 119.9° |
| C9 | C10 | C11 | H102 | 118.6° | 120.0° |
| C9 | C10 | H101 | H102 | 118.6° | 120.1° |
| C9 | C10 | C11 | H111 | 14.7° | 180.0° |
| C9 | C10 | C11 | H112 | 134.7° | 60.0° |
| C9 | C10 | C11 | H113 | 105.3° | 60.0° |
| H91 | C9 | C10 | C11 | 162.7° | 60.0° |
| H91 | C9 | C10 | H101 | 42.7° | 180.0° |
| H91 | C9 | C10 | H102 | 78.8° | 59.9° |
| H92 | C9 | C10 | C11 | 77.9° | 60.0° |
| H92 | C9 | C10 | H101 | 162.1° | 59.9° |
| H92 | C9 | C10 | H102 | 40.6° | 179.9° |
| C11 | C10 | H101 | H102 | 118.6° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.1° |
| H101 | C10 | C11 | H111 | 105.3° | 60.1° |
| H101 | C10 | C11 | H112 | 14.7° | 180.0° |
| H101 | C10 | C11 | H113 | 134.7° | 59.9° |
| H102 | C10 | C11 | H111 | 133.3° | 60.0° |
| H102 | C10 | C11 | H112 | 106.8° | 59.9° |
| H102 | C10 | C11 | H113 | 13.2° | 180.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 118.1° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| H121 | C12 | C13 | H131 | 45.3° | 60.0° |
| H121 | C12 | C13 | H132 | 165.2° | 180.0° |
| H121 | C12 | C13 | H133 | 74.7° | 60.0° |
| H122 | C12 | C13 | H131 | 76.8° | 60.1° |
| H122 | C12 | C13 | H132 | 43.2° | 60.0° |
| H122 | C12 | C13 | H133 | 163.2° | 179.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| O2 | C15 | N2 | C16 | 1.4° | 0.0° |
| O2 | C15 | N2 | HN2 | 178.6° | 180.0° |
| C15 | N2 | C16 | HN2 | 180.0° | 179.9° |
| C15 | N2 | C16 | C18 | 132.9° | 85.0° |
| C15 | N2 | C16 | C17 | 104.0° | 155.0° |
| C15 | N2 | C16 | H16 | 12.9° | 35.0° |
| N2 | C16 | C18 | C17 | 124.3° | 120.0° |
| N2 | C16 | C18 | H16 | 118.7° | 120.0° |
| N2 | C16 | C17 | H16 | 118.5° | 120.0° |
| N2 | C16 | C17 | O3 | 176.3° | 65.0° |
| N2 | C16 | C17 | C25 | 64.7° | 175.0° |
| N2 | C16 | C17 | H17 | 54.9° | 55.0° |
| N2 | C16 | C18 | C19 | 51.5° | 65.0° |
| N2 | C16 | C18 | H181 | 68.5° | 55.0° |
| N2 | C16 | C18 | H182 | 171.1° | 174.9° |
| HN2 | N2 | C16 | C18 | 47.1° | 95.1° |
| HN2 | N2 | C16 | C17 | 76.0° | 24.9° |
| HN2 | N2 | C16 | H16 | 167.1° | 144.9° |
| C18 | C16 | C17 | H16 | 119.8° | 120.0° |
| C18 | C16 | C17 | O3 | 54.5° | 55.0° |
| C18 | C16 | C17 | C25 | 173.6° | 65.0° |
| C18 | C16 | C17 | H17 | 66.8° | 175.0° |
| C16 | C18 | C19 | H181 | 120.0° | 120.0° |
| C16 | C18 | C19 | H182 | 119.6° | 120.0° |
| C16 | C18 | H181 | H182 | 119.6° | 120.0° |
| C16 | C18 | C19 | C24 | 57.9° | 90.0° |
| C16 | C18 | C19 | C20 | 122.0° | 89.7° |
| C16 | C17 | O3 | C25 | 122.1° | 120.0° |
| C16 | C17 | O3 | H17 | 118.2° | 120.0° |
| C16 | C17 | C25 | H17 | 118.1° | 120.0° |
| C16 | C17 | O3 | HO3 | 154.2° | 60.0° |
| C17 | C16 | C18 | C19 | 175.8° | 175.0° |
| C17 | C16 | C18 | H181 | 55.8° | 65.0° |
| C17 | C16 | C18 | H182 | 64.7° | 55.0° |
| C16 | C17 | C25 | C26 | 60.7° | 180.0° |
| C16 | C17 | C25 | N3 | 178.0° | 59.9° |
| C16 | C17 | C25 | H25 | 57.5° | 60.1° |
| H16 | C16 | C17 | O3 | 65.3° | 175.0° |
| H16 | C16 | C17 | C25 | 53.8° | 55.0° |
| H16 | C16 | C17 | H17 | 173.4° | 65.0° |
| H16 | C16 | C18 | C19 | 67.2° | 55.0° |
| H16 | C16 | C18 | H181 | 172.8° | 175.0° |
| H16 | C16 | C18 | H182 | 52.4° | 65.0° |
| O3 | C17 | C25 | H17 | 121.4° | 120.0° |
| O3 | C17 | C25 | C26 | 59.8° | 60.0° |
| O3 | C17 | C25 | N3 | 61.5° | 180.0° |
| O3 | C17 | C25 | H25 | 177.9° | 60.0° |
| C25 | C17 | O3 | HO3 | 32.1° | 60.0° |
| C17 | C25 | C26 | N3 | 119.1° | 120.0° |
| C17 | C25 | C26 | H25 | 120.4° | 119.9° |
| C17 | C25 | N3 | H25 | 120.4° | 120.0° |
| C17 | C25 | C26 | C27 | 169.8° | 179.2° |
| C17 | C25 | C26 | H261 | 70.1° | 60.8° |
| C17 | C25 | C26 | H262 | 51.1° | 59.3° |
| C17 | C25 | N3 | C29 | 175.3° | 178.2° |
| C17 | C25 | N3 | HN3 | 55.3° | 57.7° |
| H17 | C17 | O3 | HO3 | 87.6° | 180.0° |
| H17 | C17 | C25 | C26 | 178.8° | 60.0° |
| H17 | C17 | C25 | N3 | 59.9° | 60.0° |
| H17 | C17 | C25 | H25 | 60.7° | 180.0° |
| C19 | C18 | H181 | H182 | 119.6° | 120.0° |
| C18 | C19 | C24 | C20 | 179.9° | 179.7° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 0.1° | 0.1° |
| C18 | C19 | C24 | C23 | 179.9° | 179.8° |
| C18 | C19 | C24 | H24 | 0.1° | 0.0° |
| H181 | C18 | C19 | C24 | 177.9° | 30.0° |
| H181 | C18 | C19 | C20 | 2.0° | 150.3° |
| H182 | C18 | C19 | C24 | 61.7° | 150.0° |
| H182 | C18 | C19 | C20 | 118.4° | 30.3° |
| C24 | C19 | C20 | C21 | 0.2° | 0.3° |
| C24 | C19 | C20 | H20 | 179.8° | 179.8° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C19 | C24 | C23 | 0.0° | 0.5° |
| C20 | C19 | C24 | H24 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H22 | 179.8° | 180.0° |
| H20 | C20 | C21 | C22 | 179.7° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C23 | C24 | H24 | 179.9° | 179.7° |
| H22 | C22 | C23 | C24 | 179.9° | 179.8° |
| C26 | C25 | N3 | H25 | 118.2° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 118.7° | 119.9° |
| C25 | C26 | H261 | H262 | 118.8° | 120.1° |
| C25 | C26 | C27 | O4 | 173.8° | 177.6° |
| C25 | C26 | C27 | C28 | 52.4° | 57.6° |
| C25 | C26 | C27 | H27 | 65.8° | 62.3° |
| C26 | C25 | N3 | C29 | 53.9° | 61.7° |
| C26 | C25 | N3 | HN3 | 66.1° | 62.4° |
| N3 | C25 | C26 | C27 | 50.7° | 59.2° |
| N3 | C25 | C26 | H261 | 170.7° | 179.1° |
| N3 | C25 | C26 | H262 | 68.1° | 60.8° |
| C25 | N3 | C29 | C28 | 57.7° | 61.7° |
| C25 | N3 | C29 | HN3 | 120.0° | 124.1° |
| C25 | N3 | C29 | H291 | 62.3° | 58.2° |
| C25 | N3 | C29 | H292 | 177.7° | 178.2° |
| H25 | C25 | C26 | C27 | 69.8° | 60.9° |
| H25 | C25 | C26 | H261 | 50.2° | 59.1° |
| H25 | C25 | C26 | H262 | 171.4° | 179.2° |
| H25 | C25 | N3 | C29 | 64.3° | 58.3° |
| H25 | C25 | N3 | HN3 | 175.7° | 177.7° |
| C27 | C26 | H261 | H262 | 118.8° | 120.1° |
| C26 | C27 | O4 | C28 | 121.0° | 119.7° |
| C26 | C27 | O4 | H27 | 120.7° | 120.1° |
| C26 | C27 | C28 | H27 | 120.7° | 119.9° |
| C26 | C27 | C28 | C29 | 56.2° | 57.6° |
| C26 | C27 | C28 | H281 | 176.2° | 177.6° |
| C26 | C27 | C28 | H282 | 63.2° | 62.3° |
| C26 | C27 | O4 | C30 | 178.1° | 150.0° |
| H261 | C26 | C27 | O4 | 66.2° | 62.5° |
| H261 | C26 | C27 | C28 | 172.4° | 177.6° |
| H261 | C26 | C27 | H27 | 54.2° | 57.7° |
| H262 | C26 | C27 | O4 | 55.0° | 57.6° |
| H262 | C26 | C27 | C28 | 66.3° | 62.3° |
| H262 | C26 | C27 | H27 | 175.4° | 177.8° |
| O4 | C27 | C28 | H27 | 120.4° | 120.2° |
| O4 | C27 | C28 | C29 | 175.1° | 177.6° |
| O4 | C27 | C28 | H281 | 64.9° | 62.5° |
| O4 | C27 | C28 | H282 | 55.6° | 57.6° |
| C27 | O4 | C30 | C31 | 167.5° | 180.0° |
| C27 | O4 | C30 | H301 | 72.5° | 60.0° |
| C27 | O4 | C30 | H302 | 46.6° | 60.0° |
| C27 | C28 | C29 | H281 | 120.0° | 119.9° |
| C27 | C28 | C29 | H282 | 119.4° | 119.9° |
| C27 | C28 | H281 | H282 | 119.4° | 120.1° |
| C27 | C28 | C29 | N3 | 57.7° | 59.2° |
| C27 | C28 | C29 | H291 | 62.3° | 60.8° |
| C27 | C28 | C29 | H292 | 177.6° | 179.2° |
| C28 | C27 | O4 | C30 | 60.9° | 90.3° |
| H27 | C27 | C28 | C29 | 64.5° | 62.3° |
| H27 | C27 | C28 | H281 | 55.5° | 57.7° |
| H27 | C27 | C28 | H282 | 176.1° | 177.8° |
| H27 | C27 | O4 | C30 | 57.4° | 29.9° |
| C29 | C28 | H281 | H282 | 119.4° | 120.1° |
| C28 | C29 | N3 | H291 | 120.0° | 120.0° |
| C28 | C29 | N3 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | N3 | HN3 | 62.3° | 62.4° |
| H281 | C28 | C29 | N3 | 177.7° | 179.1° |
| H281 | C28 | C29 | H291 | 57.7° | 59.1° |
| H281 | C28 | C29 | H292 | 62.4° | 60.9° |
| H282 | C28 | C29 | N3 | 61.8° | 60.8° |
| H282 | C28 | C29 | H291 | 178.2° | 179.2° |
| H282 | C28 | C29 | H292 | 58.2° | 59.2° |
| N3 | C29 | H291 | H292 | 120.0° | 120.0° |
| H291 | C29 | N3 | HN3 | 177.7° | 177.6° |
| H292 | C29 | N3 | HN3 | 57.7° | 57.6° |
| O4 | C30 | C31 | H301 | 120.0° | 120.0° |
| O4 | C30 | C31 | H302 | 120.8° | 120.0° |
| O4 | C30 | H301 | H302 | 120.9° | 119.9° |
| O4 | C30 | C31 | H311 | 155.0° | 180.0° |
| O4 | C30 | C31 | H312 | 85.0° | 60.0° |
| O4 | C30 | C31 | H313 | 35.0° | 60.0° |
| C31 | C30 | H301 | H302 | 120.9° | 120.1° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 35.0° | 60.0° |
| H301 | C30 | C31 | H312 | 155.0° | 180.0° |
| H301 | C30 | C31 | H313 | 85.0° | 59.9° |
| H302 | C30 | C31 | H311 | 84.2° | 60.0° |
| H302 | C30 | C31 | H312 | 35.8° | 60.0° |
| H302 | C30 | C31 | H313 | 155.8° | 180.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
