77B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C15 | sing | 1.38Å | 1.45Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C18 | C23 | sing | 1.38Å | 1.45Å | Aromatic |
| C17 | N3 | sing | 1.47Å | 1.49Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C16 | C2 | sing | 1.51Å | 1.55Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | O1 | sing | 1.43Å | 2.36Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | C5 | sing | 1.47Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.60Å | |
| C5 | C24 | sing | 1.53Å | 1.61Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | doub | 1.21Å | 1.24Å | |
| C6 | N2 | sing | 1.35Å | 1.42Å | |
| C24 | C26 | sing | 1.53Å | 1.57Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | H24 | 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 | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.54Å | |
| N2 | C28 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.37Å | |
| C7 | C30 | sing | 1.54Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O7 | sing | 1.34Å | 1.40Å | |
| C8 | O6 | doub | 1.21Å | 1.24Å | |
| O7 | C9 | sing | 1.45Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.55Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.55Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 119.8° | 119.9° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C14 | C13 | H13 | 119.9° | 119.9° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | C10 | 120.0° | 120.1° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.1° |
| C12 | C11 | C10 | 119.9° | 120.1° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | C15 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C15 | C10 | C9 | 120.1° | 120.0° |
| C10 | C15 | H15 | 120.0° | 120.0° |
| C10 | C9 | O7 | 112.1° | 109.5° |
| C10 | C9 | H91 | 108.0° | 109.5° |
| C10 | C9 | H92 | 108.6° | 109.5° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | C17 | 120.6° | 120.0° |
| C19 | C18 | C23 | 119.2° | 120.0° |
| C17 | C18 | C23 | 120.3° | 120.0° |
| C18 | C17 | N3 | 115.1° | 109.5° |
| C18 | C17 | H171 | 106.4° | 109.5° |
| C18 | C17 | H172 | 107.7° | 109.5° |
| C18 | C23 | C22 | 120.3° | 120.1° |
| C18 | C23 | H23 | 119.9° | 120.0° |
| N3 | C17 | H171 | 106.4° | 109.5° |
| N3 | C17 | H172 | 107.6° | 109.4° |
| C17 | N3 | C16 | 125.7° | 120.0° |
| C17 | N3 | HN3 | 117.2° | 120.0° |
| H171 | C17 | H172 | 113.9° | 109.5° |
| C16 | N3 | HN3 | 117.1° | 120.0° |
| N3 | C16 | C2 | 116.8° | 120.0° |
| N3 | C16 | O2 | 123.5° | 120.0° |
| C2 | C16 | O2 | 119.6° | 120.0° |
| C16 | C2 | O1 | 95.3° | 117.8° |
| C16 | C2 | C3 | 107.8° | 117.8° |
| C16 | C2 | H2 | 107.9° | 115.7° |
| O1 | C2 | C3 | 36.0° | 57.6° |
| O1 | C2 | H2 | 151.4° | 117.8° |
| C2 | O1 | C3 | 38.9° | 64.7° |
| C3 | C2 | H2 | 140.3° | 117.8° |
| C2 | C3 | O1 | 105.1° | 57.7° |
| C2 | C3 | C4 | 114.2° | 117.8° |
| C2 | C3 | H3 | 109.7° | 117.8° |
| O1 | C3 | C4 | 110.6° | 117.8° |
| O1 | C3 | H3 | 113.4° | 117.8° |
| C4 | C3 | H3 | 104.1° | 115.7° |
| C3 | C4 | O4 | 121.3° | 120.0° |
| C3 | C4 | N1 | 114.0° | 120.0° |
| O4 | C4 | N1 | 124.7° | 120.0° |
| C4 | N1 | C5 | 125.7° | 120.0° |
| C4 | N1 | HN1 | 117.1° | 120.0° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C23 | C22 | C21 | 119.9° | 119.9° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C5 | N1 | HN1 | 117.2° | 120.0° |
| N1 | C5 | C6 | 103.3° | 109.5° |
| N1 | C5 | C24 | 118.0° | 109.4° |
| N1 | C5 | H5 | 108.2° | 109.5° |
| C6 | C5 | C24 | 110.0° | 109.4° |
| C6 | C5 | H5 | 116.6° | 109.5° |
| C5 | C6 | O5 | 114.9° | 120.0° |
| C5 | C6 | N2 | 126.1° | 120.0° |
| C24 | C5 | H5 | 101.4° | 109.5° |
| C5 | C24 | C26 | 111.1° | 109.5° |
| C5 | C24 | C25 | 111.8° | 109.5° |
| C5 | C24 | H24 | 105.9° | 109.4° |
| O5 | C6 | N2 | 119.1° | 120.0° |
| C6 | N2 | C7 | 125.9° | 125.6° |
| C6 | N2 | C28 | 121.2° | 125.7° |
| C26 | C24 | C25 | 106.7° | 109.5° |
| C26 | C24 | H24 | 111.0° | 109.5° |
| C24 | C26 | C27 | 117.2° | 109.5° |
| C24 | C26 | H261 | 105.2° | 109.4° |
| C24 | C26 | H262 | 107.0° | 109.5° |
| C25 | C24 | H24 | 110.3° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H261 | 105.2° | 109.5° |
| C27 | C26 | H262 | 107.0° | 109.5° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.5° |
| H261 | C26 | H262 | 115.7° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| C7 | N2 | C28 | 112.9° | 108.7° |
| N2 | C7 | C8 | 112.7° | 110.3° |
| N2 | C7 | C30 | 100.7° | 107.2° |
| N2 | C7 | H7 | 117.9° | 109.6° |
| N2 | C28 | C29 | 105.6° | 104.9° |
| N2 | C28 | H281 | 111.6° | 110.4° |
| N2 | C28 | H282 | 110.8° | 110.4° |
| C8 | C7 | C30 | 120.6° | 109.9° |
| C8 | C7 | H7 | 96.5° | 109.9° |
| C7 | C8 | O7 | 114.2° | 120.0° |
| C7 | C8 | O6 | 119.7° | 120.0° |
| C30 | C7 | H7 | 109.5° | 109.8° |
| C7 | C30 | C29 | 108.6° | 103.0° |
| C7 | C30 | H301 | 110.0° | 110.9° |
| C7 | C30 | H302 | 109.8° | 110.4° |
| O7 | C8 | O6 | 126.1° | 120.0° |
| C8 | O7 | C9 | 121.5° | 120.0° |
| O7 | C9 | H91 | 108.0° | 109.4° |
| O7 | C9 | H92 | 108.6° | 109.5° |
| H91 | C9 | H92 | 111.5° | 109.5° |
| C29 | C30 | H301 | 110.0° | 110.8° |
| C29 | C30 | H302 | 109.7° | 110.7° |
| C30 | C29 | C28 | 106.0° | 101.6° |
| C30 | C29 | H291 | 111.4° | 111.0° |
| C30 | C29 | H292 | 110.6° | 111.0° |
| H301 | C30 | H302 | 108.8° | 110.8° |
| C28 | C29 | H291 | 111.4° | 111.0° |
| C28 | C29 | H292 | 110.6° | 111.0° |
| C29 | C28 | H281 | 111.6° | 110.3° |
| C29 | C28 | H282 | 110.8° | 110.4° |
| H291 | C29 | H292 | 106.9° | 110.9° |
| H281 | C28 | H282 | 106.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.5° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H13 | 179.9° | 179.8° |
| C14 | C15 | C10 | C11 | 0.0° | 0.5° |
| C14 | C15 | C10 | H15 | 180.0° | 179.5° |
| C14 | C15 | C10 | C9 | 179.9° | 179.8° |
| H14 | C14 | C13 | C12 | 179.9° | 180.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.0° |
| H14 | C14 | C15 | C10 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.1° | 0.2° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| H13 | C13 | C12 | C11 | 180.0° | 180.0° |
| H13 | C13 | C12 | H12 | 0.0° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.1° | 0.3° |
| C12 | C11 | C10 | C9 | 179.8° | 180.0° |
| H12 | C12 | C11 | C10 | 179.9° | 179.9° |
| H12 | C12 | C11 | H11 | 0.1° | 0.0° |
| C11 | C10 | C15 | C9 | 179.9° | 179.6° |
| C11 | C10 | C15 | H15 | 180.0° | 179.9° |
| C11 | C10 | C9 | O7 | 114.2° | 90.0° |
| C11 | C10 | C9 | H91 | 4.7° | 29.9° |
| C11 | C10 | C9 | H92 | 125.8° | 149.9° |
| H11 | C11 | C10 | C15 | 179.9° | 179.7° |
| H11 | C11 | C10 | C9 | 0.2° | 0.1° |
| C15 | C10 | C9 | O7 | 65.7° | 90.3° |
| C15 | C10 | C9 | H91 | 175.4° | 149.7° |
| C15 | C10 | C9 | H92 | 54.2° | 29.7° |
| C9 | C10 | C15 | H15 | 0.1° | 0.3° |
| C10 | C9 | O7 | C8 | 159.1° | 180.0° |
| C10 | C9 | O7 | H91 | 118.9° | 120.0° |
| C10 | C9 | O7 | H92 | 120.0° | 120.1° |
| C10 | C9 | H91 | H92 | 119.3° | 120.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.9° | 180.0° |
| C20 | C19 | C18 | C23 | 0.0° | 0.2° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C19 | C18 | 179.9° | 180.0° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| H20 | C20 | C21 | C22 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C19 | C18 | C17 | C23 | 179.9° | 179.8° |
| C19 | C18 | C17 | N3 | 142.5° | 90.0° |
| C19 | C18 | C17 | H171 | 100.0° | 30.0° |
| C19 | C18 | C17 | H172 | 22.5° | 150.0° |
| C19 | C18 | C23 | C22 | 0.1° | 0.4° |
| C19 | C18 | C23 | H23 | 179.9° | 179.9° |
| H19 | C19 | C18 | C17 | 0.1° | 0.0° |
| H19 | C19 | C18 | C23 | 180.0° | 179.8° |
| C18 | C17 | N3 | H171 | 117.5° | 120.0° |
| C18 | C17 | N3 | H172 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 118.4° | 120.0° |
| C18 | C17 | N3 | C16 | 69.2° | 180.0° |
| C18 | C17 | N3 | HN3 | 110.8° | 0.1° |
| C17 | C18 | C23 | C22 | 179.8° | 179.8° |
| C17 | C18 | C23 | H23 | 0.1° | 0.2° |
| C23 | C18 | C17 | N3 | 37.4° | 90.2° |
| C23 | C18 | C17 | H171 | 80.1° | 149.8° |
| C23 | C18 | C17 | H172 | 157.4° | 29.7° |
| C18 | C23 | C22 | H23 | 180.0° | 179.6° |
| C18 | C23 | C22 | C21 | 0.1° | 0.4° |
| C18 | C23 | C22 | H22 | 179.9° | 179.8° |
| N3 | C17 | H171 | H172 | 118.4° | 120.0° |
| C17 | N3 | C16 | HN3 | 180.0° | 179.9° |
| C17 | N3 | C16 | C2 | 179.1° | 180.0° |
| C17 | N3 | C16 | O2 | 0.2° | 0.1° |
| H171 | C17 | N3 | C16 | 173.3° | 60.0° |
| H171 | C17 | N3 | HN3 | 6.7° | 119.9° |
| H172 | C17 | N3 | C16 | 50.8° | 60.0° |
| H172 | C17 | N3 | HN3 | 129.2° | 120.0° |
| N3 | C16 | C2 | O2 | 178.9° | 179.9° |
| N3 | C16 | C2 | O1 | 79.6° | 133.6° |
| N3 | C16 | C2 | C3 | 114.2° | 67.6° |
| N3 | C16 | C2 | H2 | 83.5° | 79.4° |
| HN3 | N3 | C16 | C2 | 0.9° | 0.1° |
| HN3 | N3 | C16 | O2 | 179.8° | 180.0° |
| C16 | C2 | O1 | C3 | 113.3° | 106.9° |
| C16 | C2 | O1 | H2 | 144.7° | 146.3° |
| C16 | C2 | C3 | H2 | 153.1° | 146.4° |
| C16 | C2 | C3 | C4 | 164.7° | 146.3° |
| C16 | C2 | C3 | H3 | 48.3° | 0.1° |
| O2 | C16 | C2 | O1 | 99.4° | 46.5° |
| O2 | C16 | C2 | C3 | 64.8° | 112.4° |
| O2 | C16 | C2 | H2 | 97.5° | 100.5° |
| O1 | C2 | C3 | H2 | 133.0° | 106.8° |
| O1 | C2 | C3 | C4 | 121.4° | 106.9° |
| O1 | C2 | C3 | H3 | 122.2° | 106.9° |
| C2 | C3 | C4 | H3 | 119.6° | 146.9° |
| C2 | C3 | C4 | O4 | 87.5° | 113.6° |
| C2 | C3 | C4 | N1 | 93.0° | 66.3° |
| H2 | C2 | C3 | C4 | 11.6° | 0.1° |
| H2 | C2 | C3 | H3 | 104.8° | 146.3° |
| O1 | C3 | C4 | H3 | 122.1° | 146.9° |
| O1 | C3 | C4 | O4 | 154.3° | 47.5° |
| O1 | C3 | C4 | N1 | 25.2° | 132.5° |
| C3 | C4 | O4 | N1 | 179.4° | 180.0° |
| C3 | C4 | N1 | C5 | 179.3° | 175.3° |
| C3 | C4 | N1 | HN1 | 0.7° | 4.8° |
| H3 | C3 | C4 | O4 | 32.2° | 99.5° |
| H3 | C3 | C4 | N1 | 147.3° | 80.6° |
| O4 | C4 | N1 | C5 | 0.2° | 4.8° |
| O4 | C4 | N1 | HN1 | 179.8° | 175.2° |
| C4 | N1 | C5 | HN1 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 134.6° | 145.8° |
| C4 | N1 | C5 | C24 | 103.8° | 94.2° |
| C4 | N1 | C5 | H5 | 10.4° | 25.8° |
| C23 | C22 | C21 | H22 | 180.0° | 179.8° |
| C23 | C22 | C21 | H21 | 180.0° | 179.9° |
| H23 | C23 | C22 | C21 | 179.9° | 180.0° |
| H23 | C23 | C22 | H22 | 0.1° | 0.1° |
| H22 | C22 | C21 | H21 | 0.0° | 0.0° |
| N1 | C5 | C6 | C24 | 126.8° | 119.9° |
| N1 | C5 | C6 | H5 | 118.6° | 120.1° |
| N1 | C5 | C24 | H5 | 117.9° | 120.0° |
| N1 | C5 | C6 | O5 | 57.3° | 5.9° |
| N1 | C5 | C6 | N2 | 122.2° | 174.1° |
| N1 | C5 | C24 | C26 | 61.2° | 51.9° |
| N1 | C5 | C24 | C25 | 179.7° | 68.1° |
| N1 | C5 | C24 | H24 | 59.5° | 171.9° |
| HN1 | N1 | C5 | C6 | 45.4° | 34.1° |
| HN1 | N1 | C5 | C24 | 76.2° | 85.8° |
| HN1 | N1 | C5 | H5 | 169.6° | 154.2° |
| C6 | C5 | C24 | H5 | 123.9° | 120.0° |
| C5 | C6 | O5 | N2 | 179.5° | 180.0° |
| C6 | C5 | C24 | C26 | 179.3° | 68.0° |
| C6 | C5 | C24 | C25 | 61.6° | 171.9° |
| C6 | C5 | C24 | H24 | 58.6° | 52.0° |
| C5 | C6 | N2 | C7 | 179.3° | 173.3° |
| C5 | C6 | N2 | C28 | 0.4° | 7.0° |
| C24 | C5 | C6 | O5 | 69.5° | 114.0° |
| C24 | C5 | C6 | N2 | 111.0° | 66.0° |
| C5 | C24 | C26 | C25 | 122.1° | 120.0° |
| C5 | C24 | C26 | H24 | 117.6° | 120.0° |
| C5 | C24 | C25 | H24 | 117.6° | 119.9° |
| C5 | C24 | C26 | C27 | 179.3° | 68.6° |
| C5 | C24 | C26 | H261 | 62.9° | 51.4° |
| C5 | C24 | C26 | H262 | 60.7° | 171.4° |
| C5 | C24 | C25 | H251 | 72.4° | 173.8° |
| C5 | C24 | C25 | H252 | 167.5° | 53.8° |
| C5 | C24 | C25 | H253 | 47.5° | 66.2° |
| H5 | C5 | C6 | O5 | 175.9° | 125.9° |
| H5 | C5 | C6 | N2 | 3.6° | 54.1° |
| H5 | C5 | C24 | C26 | 56.7° | 171.9° |
| H5 | C5 | C24 | C25 | 62.4° | 51.9° |
| H5 | C5 | C24 | H24 | 177.4° | 68.1° |
| O5 | C6 | N2 | C7 | 0.1° | 6.7° |
| O5 | C6 | N2 | C28 | 179.8° | 172.9° |
| C6 | N2 | C7 | C28 | 179.7° | 179.7° |
| C6 | N2 | C7 | C8 | 65.0° | 61.5° |
| C6 | N2 | C7 | C30 | 165.2° | 178.8° |
| C6 | N2 | C7 | H7 | 46.2° | 59.6° |
| C6 | N2 | C28 | C29 | 179.7° | 155.9° |
| C6 | N2 | C28 | H281 | 58.8° | 37.1° |
| C6 | N2 | C28 | H282 | 59.7° | 85.2° |
| C26 | C24 | C25 | H24 | 120.7° | 120.0° |
| C24 | C26 | C27 | H261 | 116.4° | 120.0° |
| C24 | C26 | C27 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H262 | 117.8° | 119.9° |
| C26 | C24 | C25 | H251 | 165.9° | 66.2° |
| C26 | C24 | C25 | H252 | 45.9° | 173.8° |
| C26 | C24 | C25 | H253 | 74.1° | 53.9° |
| C24 | C26 | C27 | H271 | 126.2° | 38.7° |
| C24 | C26 | C27 | H272 | 113.8° | 158.7° |
| C24 | C26 | C27 | H273 | 6.2° | 81.3° |
| C25 | C24 | C26 | C27 | 58.6° | 171.4° |
| C25 | C24 | C26 | H261 | 175.0° | 68.6° |
| C25 | C24 | C26 | H262 | 61.4° | 51.4° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H24 | C24 | C26 | C27 | 61.7° | 51.4° |
| H24 | C24 | C26 | H261 | 54.7° | 171.4° |
| H24 | C24 | C26 | H262 | 178.3° | 68.6° |
| H24 | C24 | C25 | H251 | 45.2° | 53.9° |
| H24 | C24 | C25 | H252 | 74.9° | 66.2° |
| H24 | C24 | C25 | H253 | 165.2° | 173.9° |
| C27 | C26 | H261 | H262 | 117.8° | 120.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H273 | 120.0° | 120.0° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| H261 | C26 | C27 | H271 | 9.8° | 158.7° |
| H261 | C26 | C27 | H272 | 129.8° | 81.4° |
| H261 | C26 | C27 | H273 | 110.2° | 38.7° |
| H262 | C26 | C27 | H271 | 113.8° | 81.3° |
| H262 | C26 | C27 | H272 | 6.2° | 38.6° |
| H262 | C26 | C27 | H273 | 126.2° | 158.7° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| N2 | C7 | C8 | C30 | 118.8° | 118.0° |
| N2 | C7 | C8 | H7 | 124.0° | 121.0° |
| N2 | C7 | C30 | H7 | 124.9° | 119.1° |
| N2 | C7 | C8 | O7 | 35.2° | 166.9° |
| N2 | C7 | C8 | O6 | 144.7° | 13.1° |
| N2 | C7 | C30 | C29 | 23.7° | 21.8° |
| N2 | C7 | C30 | H301 | 96.7° | 140.4° |
| N2 | C7 | C30 | H302 | 143.7° | 96.4° |
| C7 | N2 | C28 | C29 | 0.0° | 24.4° |
| C7 | N2 | C28 | H281 | 121.5° | 143.2° |
| C7 | N2 | C28 | H282 | 120.0° | 94.5° |
| C28 | N2 | C7 | C8 | 115.3° | 118.2° |
| C28 | N2 | C7 | C30 | 14.5° | 1.4° |
| C28 | N2 | C7 | H7 | 133.5° | 120.7° |
| N2 | C28 | C29 | C30 | 15.1° | 37.0° |
| N2 | C28 | C29 | H281 | 121.5° | 118.8° |
| N2 | C28 | C29 | H282 | 120.0° | 118.9° |
| N2 | C28 | C29 | H291 | 136.4° | 81.0° |
| N2 | C28 | C29 | H292 | 104.9° | 155.1° |
| N2 | C28 | H281 | H282 | 121.0° | 122.3° |
| C8 | C7 | C30 | H7 | 110.5° | 121.0° |
| C7 | C8 | O7 | O6 | 180.0° | 180.0° |
| C7 | C8 | O7 | C9 | 180.0° | 180.0° |
| C8 | C7 | C30 | C29 | 100.9° | 141.8° |
| C8 | C7 | C30 | H301 | 138.7° | 99.7° |
| C8 | C7 | C30 | H302 | 19.1° | 23.5° |
| C30 | C7 | C8 | O7 | 83.5° | 75.1° |
| C30 | C7 | C8 | O6 | 96.5° | 104.9° |
| C7 | C30 | C29 | H301 | 120.4° | 118.6° |
| C7 | C30 | C29 | H302 | 120.0° | 118.1° |
| C7 | C30 | H301 | H302 | 120.3° | 123.0° |
| C7 | C30 | C29 | C28 | 25.1° | 35.3° |
| C7 | C30 | C29 | H291 | 146.4° | 82.8° |
| C7 | C30 | C29 | H292 | 94.9° | 153.4° |
| H7 | C7 | C8 | O7 | 159.2° | 45.9° |
| H7 | C7 | C8 | O6 | 20.8° | 134.1° |
| H7 | C7 | C30 | C29 | 148.6° | 97.2° |
| H7 | C7 | C30 | H301 | 28.2° | 21.3° |
| H7 | C7 | C30 | H302 | 91.4° | 144.5° |
| C8 | O7 | C9 | H91 | 82.0° | 60.0° |
| C8 | O7 | C9 | H92 | 39.1° | 60.0° |
| O6 | C8 | O7 | C9 | 0.1° | 0.0° |
| O7 | C9 | H91 | H92 | 119.3° | 119.9° |
| C29 | C30 | H301 | H302 | 120.2° | 123.3° |
| C30 | C29 | C28 | H291 | 121.3° | 118.1° |
| C30 | C29 | C28 | H292 | 120.0° | 118.1° |
| C30 | C29 | H291 | H292 | 120.9° | 123.9° |
| C30 | C29 | C28 | H281 | 136.6° | 155.9° |
| C30 | C29 | C28 | H282 | 104.9° | 81.9° |
| H301 | C30 | C29 | C28 | 95.3° | 153.9° |
| H301 | C30 | C29 | H291 | 26.0° | 35.8° |
| H301 | C30 | C29 | H292 | 144.7° | 88.1° |
| H302 | C30 | C29 | C28 | 145.1° | 82.8° |
| H302 | C30 | C29 | H291 | 93.6° | 159.1° |
| H302 | C30 | C29 | H292 | 25.1° | 35.3° |
| C28 | C29 | H291 | H292 | 120.9° | 123.9° |
| C29 | C28 | H281 | H282 | 121.1° | 122.3° |
| H291 | C29 | C28 | H281 | 102.1° | 37.8° |
| H291 | C29 | C28 | H282 | 16.4° | 160.1° |
| H292 | C29 | C28 | H281 | 16.6° | 86.1° |
| H292 | C29 | C28 | H282 | 135.1° | 36.2° |
