90I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | sing | 1.45Å | 1.42Å | |
| O1 | C | sing | 1.35Å | 1.45Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| N | C11 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | O5 | doub | 1.21Å | 1.21Å | |
| C12 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| O4 | C19 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | O2 | doub | 1.21Å | 1.22Å | |
| C18 | N2 | sing | 1.34Å | 1.34Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N2 | sing | 1.47Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | N3 | sing | 1.35Å | 1.34Å | |
| C20 | O3 | doub | 1.21Å | 1.19Å | |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C21 | sing | 1.46Å | 1.46Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H2A | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H2C | sing | 1.09Å | 1.10Å | |
| C17 | H2B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N1 | H93 | sing | 0.97Å | 1.00Å | |
| N2 | H94 | sing | 0.97Å | 1.00Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C5 | C4 | H41 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.1° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C3 | C4 | H41 | 119.9° | 120.0° |
| C4 | C3 | H31 | 120.5° | 120.0° |
| C6 | C7 | C2 | 119.6° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C3 | C2 | C7 | 121.0° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | H31 | 120.5° | 120.0° |
| C7 | C2 | C1 | 119.4° | 120.0° |
| C2 | C7 | H7 | 120.2° | 120.0° |
| C2 | C1 | O1 | 108.6° | 109.5° |
| C2 | C1 | H11 | 109.7° | 109.5° |
| C2 | C1 | H12 | 109.7° | 109.5° |
| C1 | O1 | C | 116.9° | 117.0° |
| O1 | C1 | H11 | 109.7° | 109.4° |
| O1 | C1 | H12 | 109.7° | 109.5° |
| O1 | C | N | 118.4° | 120.0° |
| O1 | C | O | 118.3° | 120.0° |
| C9 | C8 | N | 103.6° | 104.9° |
| C8 | C9 | C10 | 102.7° | 101.4° |
| C9 | C8 | H82 | 110.9° | 110.3° |
| C9 | C8 | H81 | 110.9° | 110.4° |
| C8 | C9 | H91 | 111.1° | 111.0° |
| C8 | C9 | H92 | 111.1° | 111.0° |
| C8 | N | C | 128.0° | 125.7° |
| C8 | N | C11 | 112.8° | 108.7° |
| N | C8 | H82 | 111.0° | 110.2° |
| N | C8 | H81 | 110.9° | 110.6° |
| C9 | C10 | C11 | 105.1° | 102.9° |
| C9 | C10 | H10 | 110.6° | 111.1° |
| C9 | C10 | H13 | 110.6° | 110.6° |
| C10 | C9 | H91 | 111.1° | 110.9° |
| C10 | C9 | H92 | 111.1° | 111.2° |
| N | C | O | 123.3° | 120.0° |
| C | N | C11 | 119.2° | 125.6° |
| N | C11 | C10 | 102.5° | 107.2° |
| N | C11 | C12 | 113.0° | 109.9° |
| N | C11 | H14 | 109.8° | 109.8° |
| C10 | C11 | C12 | 113.3° | 109.9° |
| C11 | C10 | H10 | 110.6° | 110.7° |
| C11 | C10 | H13 | 110.6° | 110.7° |
| C10 | C11 | H14 | 108.8° | 109.9° |
| C11 | C12 | O5 | 122.4° | 120.0° |
| C11 | C12 | N1 | 115.2° | 120.0° |
| C12 | C11 | H14 | 109.3° | 110.0° |
| O5 | C12 | N1 | 122.5° | 120.0° |
| C12 | N1 | C13 | 121.7° | 120.0° |
| C12 | N1 | H93 | 119.1° | 120.0° |
| N1 | C13 | C14 | 110.9° | 109.5° |
| N1 | C13 | C19 | 106.8° | 109.5° |
| N1 | C13 | H15 | 110.6° | 109.4° |
| C13 | N1 | H93 | 119.2° | 120.0° |
| C16 | C15 | C18 | 102.9° | 104.2° |
| C16 | C15 | C14 | 113.6° | 110.5° |
| C15 | C16 | C17 | 107.1° | 101.8° |
| C16 | C15 | H18 | 109.1° | 110.4° |
| C15 | C16 | H2A | 110.1° | 110.9° |
| C15 | C16 | H19 | 110.1° | 111.0° |
| C18 | C15 | C14 | 112.2° | 110.5° |
| C15 | C18 | O2 | 123.7° | 124.9° |
| C15 | C18 | N2 | 111.1° | 110.1° |
| C18 | C15 | H18 | 109.4° | 110.4° |
| C15 | C14 | C13 | 113.2° | 109.4° |
| C14 | C15 | H18 | 109.4° | 110.6° |
| C15 | C14 | H16 | 108.5° | 109.5° |
| C15 | C14 | H17 | 108.6° | 109.4° |
| O4 | C19 | C13 | 107.8° | 109.4° |
| O4 | C19 | C20 | 110.1° | 109.5° |
| O4 | C19 | H1 | 110.1° | 109.5° |
| C19 | O4 | H42 | 109.5° | 114.1° |
| C14 | C13 | C19 | 109.3° | 109.5° |
| C13 | C14 | H16 | 108.6° | 109.5° |
| C13 | C14 | H17 | 108.5° | 109.5° |
| C14 | C13 | H15 | 109.6° | 109.5° |
| C13 | C19 | C20 | 110.6° | 109.5° |
| C19 | C13 | H15 | 109.6° | 109.5° |
| C13 | C19 | H1 | 108.7° | 109.5° |
| C16 | C17 | N2 | 104.1° | 105.5° |
| C17 | C16 | H2A | 110.1° | 110.9° |
| C17 | C16 | H19 | 110.1° | 111.0° |
| C16 | C17 | H2C | 110.8° | 110.3° |
| C16 | C17 | H2B | 110.8° | 110.2° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C25 | C26 | H27 | 119.9° | 120.0° |
| C26 | C25 | H26 | 120.3° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C26 | C27 | H28 | 119.8° | 120.0° |
| C27 | C26 | H27 | 120.0° | 120.0° |
| O2 | C18 | N2 | 125.1° | 125.0° |
| C18 | N2 | C17 | 113.5° | 111.3° |
| C18 | N2 | H94 | 123.2° | 124.4° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C24 | C25 | H26 | 120.2° | 120.0° |
| C25 | C24 | H25 | 119.9° | 120.0° |
| N2 | C17 | H2C | 110.8° | 110.3° |
| N2 | C17 | H2B | 110.8° | 110.2° |
| C17 | N2 | H94 | 123.2° | 124.3° |
| C19 | C20 | N3 | 118.7° | 120.0° |
| C19 | C20 | O3 | 119.3° | 120.0° |
| C20 | C19 | H1 | 109.4° | 109.5° |
| C27 | C28 | C23 | 119.0° | 120.0° |
| C27 | C28 | H29 | 120.5° | 120.0° |
| C28 | C27 | H28 | 119.7° | 120.0° |
| C24 | C23 | C28 | 120.7° | 120.0° |
| C24 | C23 | C22 | 119.3° | 120.0° |
| C23 | C24 | H25 | 119.9° | 120.0° |
| N3 | C20 | O3 | 122.0° | 120.0° |
| C20 | N3 | C21 | 118.7° | 120.0° |
| C20 | N3 | H32 | 120.6° | 120.0° |
| C28 | C23 | C22 | 120.0° | 120.0° |
| C23 | C28 | H29 | 120.5° | 120.0° |
| N3 | C21 | C22 | 116.0° | 109.4° |
| N3 | C21 | H21 | 107.8° | 109.5° |
| N3 | C21 | H22 | 107.8° | 109.5° |
| C21 | N3 | H32 | 120.6° | 120.0° |
| C23 | C22 | C21 | 111.4° | 109.5° |
| C23 | C22 | H24 | 108.9° | 109.5° |
| C23 | C22 | H23 | 109.0° | 109.4° |
| C21 | C22 | H24 | 109.0° | 109.5° |
| C21 | C22 | H23 | 109.0° | 109.5° |
| C22 | C21 | H21 | 107.8° | 109.5° |
| C22 | C21 | H22 | 107.8° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H24 | C22 | H23 | 109.5° | 109.5° |
| H10 | C10 | H13 | 109.4° | 110.6° |
| H2A | C16 | H19 | 109.5° | 110.9° |
| H2C | C17 | H2B | 109.5° | 110.3° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H82 | C8 | H81 | 109.5° | 110.4° |
| H91 | C9 | H92 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | H41 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H31 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.2° | 0.2° |
| C6 | C5 | C4 | H41 | 179.6° | 180.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C4 | C3 | C2 | H31 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.1° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.7° |
| C6 | C7 | C2 | C3 | 0.2° | 0.2° |
| C6 | C7 | C2 | H7 | 180.0° | 179.8° |
| C6 | C7 | C2 | C1 | 179.7° | 179.9° |
| C7 | C6 | C5 | H5 | 179.9° | 179.6° |
| C3 | C2 | C7 | C1 | 179.9° | 180.0° |
| C3 | C2 | C1 | O1 | 97.6° | 90.0° |
| C2 | C3 | C4 | H41 | 179.6° | 180.0° |
| C3 | C2 | C1 | H11 | 142.5° | 150.0° |
| C3 | C2 | C1 | H12 | 22.3° | 30.0° |
| C3 | C2 | C7 | H7 | 179.8° | 180.0° |
| C7 | C2 | C1 | O1 | 82.5° | 90.0° |
| C7 | C2 | C3 | H31 | 179.9° | 179.9° |
| C2 | C7 | C6 | H6 | 179.8° | 179.9° |
| C7 | C2 | C1 | H11 | 37.4° | 30.0° |
| C7 | C2 | C1 | H12 | 157.7° | 150.0° |
| C2 | C1 | O1 | H11 | 119.9° | 120.0° |
| C2 | C1 | O1 | H12 | 119.9° | 120.0° |
| C2 | C1 | O1 | C | 150.9° | 179.9° |
| C1 | C2 | C3 | H31 | 0.0° | 0.0° |
| C2 | C1 | H11 | H12 | 120.4° | 120.0° |
| C1 | C2 | C7 | H7 | 0.3° | 0.0° |
| C1 | O1 | C | N | 165.1° | 180.0° |
| C1 | O1 | C | O | 14.4° | 0.1° |
| O1 | C1 | H11 | H12 | 120.4° | 119.9° |
| O1 | C | N | C8 | 5.6° | 4.6° |
| O1 | C | N | O | 179.5° | 179.9° |
| O1 | C | N | C11 | 174.9° | 175.0° |
| C | O1 | C1 | H11 | 89.2° | 60.0° |
| C | O1 | C1 | H12 | 31.0° | 59.9° |
| C9 | C8 | N | H82 | 119.0° | 118.7° |
| C9 | C8 | N | H81 | 119.0° | 119.0° |
| C8 | C9 | C10 | H91 | 118.9° | 117.9° |
| C8 | C9 | C10 | H92 | 118.9° | 118.1° |
| C9 | C8 | N | C | 166.0° | 155.6° |
| C9 | C8 | N | C11 | 13.5° | 24.2° |
| C8 | C9 | C10 | C11 | 36.9° | 35.8° |
| C8 | C9 | C10 | H10 | 156.2° | 82.7° |
| C8 | C9 | C10 | H13 | 82.4° | 154.1° |
| C9 | C8 | H82 | H81 | 122.7° | 122.2° |
| C8 | C9 | H91 | H92 | 123.1° | 123.9° |
| N | C8 | C9 | C10 | 30.6° | 37.2° |
| C8 | N | C | C11 | 179.5° | 179.7° |
| C8 | N | C | O | 173.9° | 175.2° |
| C8 | N | C11 | C10 | 9.1° | 0.9° |
| C8 | N | C11 | C12 | 131.3° | 118.6° |
| C8 | N | C11 | H14 | 106.4° | 120.3° |
| N | C8 | H82 | H81 | 122.8° | 122.4° |
| N | C8 | C9 | H91 | 88.4° | 155.1° |
| N | C8 | C9 | H92 | 149.5° | 81.0° |
| C9 | C10 | C11 | N | 28.5° | 22.5° |
| C9 | C10 | C11 | H10 | 119.3° | 118.7° |
| C9 | C10 | C11 | H13 | 119.3° | 118.2° |
| C9 | C10 | C11 | C12 | 150.6° | 141.9° |
| C9 | C10 | H10 | H13 | 122.0° | 123.3° |
| C9 | C10 | C11 | H14 | 87.7° | 96.8° |
| C10 | C9 | C8 | H82 | 88.5° | 155.9° |
| C10 | C9 | C8 | H81 | 149.6° | 81.9° |
| C10 | C9 | H91 | H92 | 123.1° | 124.2° |
| C | N | C11 | C10 | 171.3° | 178.9° |
| C | N | C11 | C12 | 49.0° | 61.7° |
| C | N | C11 | H14 | 73.3° | 59.5° |
| C | N | C8 | H82 | 74.9° | 36.8° |
| C | N | C8 | H81 | 47.0° | 85.5° |
| O | C | N | C11 | 5.6° | 5.1° |
| N | C11 | C10 | C12 | 122.1° | 119.4° |
| N | C11 | C10 | H14 | 116.2° | 119.4° |
| N | C11 | C12 | H14 | 122.6° | 121.1° |
| N | C11 | C12 | O5 | 41.9° | 24.0° |
| N | C11 | C12 | N1 | 137.4° | 156.0° |
| N | C11 | C10 | H10 | 147.8° | 96.2° |
| N | C11 | C10 | H13 | 90.8° | 140.8° |
| C11 | N | C8 | H82 | 105.5° | 142.9° |
| C11 | N | C8 | H81 | 132.6° | 94.8° |
| C10 | C11 | C12 | H14 | 121.4° | 121.2° |
| C10 | C11 | C12 | O5 | 74.1° | 93.8° |
| C10 | C11 | C12 | N1 | 106.6° | 86.2° |
| C11 | C10 | H10 | H13 | 122.0° | 123.1° |
| C11 | C10 | C9 | H91 | 82.0° | 153.8° |
| C11 | C10 | C9 | H92 | 155.8° | 82.2° |
| C11 | C12 | O5 | N1 | 179.2° | 180.0° |
| C11 | C12 | N1 | C13 | 156.1° | 175.0° |
| C12 | C11 | C10 | H10 | 90.1° | 23.2° |
| C12 | C11 | C10 | H13 | 31.3° | 99.8° |
| C11 | C12 | N1 | H93 | 23.9° | 4.9° |
| O5 | C12 | N1 | C13 | 24.6° | 5.0° |
| O5 | C12 | C11 | H14 | 164.5° | 145.1° |
| O5 | C12 | N1 | H93 | 155.4° | 175.0° |
| C12 | N1 | C13 | H93 | 180.0° | 180.0° |
| C12 | N1 | C13 | C14 | 139.9° | 89.0° |
| C12 | N1 | C13 | C19 | 101.1° | 150.9° |
| N1 | C12 | C11 | H14 | 14.8° | 35.0° |
| C12 | N1 | C13 | H15 | 18.1° | 30.9° |
| N1 | C13 | C14 | C15 | 57.1° | 176.4° |
| N1 | C13 | C19 | O4 | 42.6° | 60.0° |
| N1 | C13 | C14 | C19 | 117.5° | 120.0° |
| N1 | C13 | C14 | H15 | 122.3° | 119.9° |
| N1 | C13 | C19 | H15 | 119.8° | 120.0° |
| N1 | C13 | C19 | C20 | 163.1° | 60.0° |
| N1 | C13 | C14 | H16 | 177.7° | 63.7° |
| N1 | C13 | C14 | H17 | 63.5° | 56.4° |
| N1 | C13 | C19 | H1 | 76.8° | 180.0° |
| C16 | C15 | C18 | C14 | 122.5° | 118.7° |
| C16 | C15 | C18 | H18 | 115.9° | 118.6° |
| C16 | C15 | C14 | H18 | 122.1° | 122.6° |
| C16 | C15 | C14 | C13 | 72.1° | 173.4° |
| C15 | C16 | C17 | H2A | 119.6° | 118.1° |
| C15 | C16 | C17 | H19 | 119.6° | 118.2° |
| C16 | C15 | C18 | O2 | 174.8° | 163.8° |
| C16 | C15 | C18 | N2 | 6.6° | 16.2° |
| C15 | C16 | C17 | N2 | 10.8° | 25.4° |
| C16 | C15 | C14 | H16 | 48.5° | 53.4° |
| C16 | C15 | C14 | H17 | 167.4° | 66.6° |
| C15 | C16 | H2A | H19 | 121.1° | 123.8° |
| C15 | C16 | C17 | H2C | 130.0° | 144.4° |
| C15 | C16 | C17 | H2B | 108.3° | 93.6° |
| C18 | C15 | C14 | H18 | 121.7° | 122.6° |
| C18 | C15 | C14 | C13 | 171.8° | 71.8° |
| C18 | C15 | C16 | C17 | 10.5° | 24.7° |
| C15 | C18 | O2 | N2 | 178.4° | 180.0° |
| C15 | C18 | N2 | C17 | 0.3° | 0.4° |
| C18 | C15 | C14 | H16 | 67.7° | 168.2° |
| C18 | C15 | C14 | H17 | 51.2° | 48.2° |
| C18 | C15 | C16 | H2A | 109.1° | 93.3° |
| C18 | C15 | C16 | H19 | 130.2° | 142.9° |
| C15 | C18 | N2 | H94 | 179.7° | 179.6° |
| C15 | C14 | C13 | H16 | 120.6° | 120.0° |
| C15 | C14 | C13 | H17 | 120.6° | 120.0° |
| C15 | C14 | C13 | C19 | 174.6° | 63.6° |
| C14 | C15 | C16 | C17 | 132.1° | 143.5° |
| C14 | C15 | C18 | O2 | 52.3° | 45.1° |
| C14 | C15 | C18 | N2 | 129.1° | 134.9° |
| C15 | C14 | H16 | H17 | 118.3° | 120.0° |
| C15 | C14 | C13 | H15 | 65.2° | 56.5° |
| C14 | C15 | C16 | H2A | 12.5° | 25.4° |
| C14 | C15 | C16 | H19 | 108.3° | 98.3° |
| O4 | C19 | C13 | C14 | 162.6° | 60.0° |
| O4 | C19 | C13 | C20 | 120.5° | 120.0° |
| O4 | C19 | C13 | H1 | 119.4° | 120.0° |
| O4 | C19 | C20 | H1 | 121.2° | 120.0° |
| O4 | C19 | C20 | N3 | 26.5° | 175.0° |
| O4 | C19 | C20 | O3 | 153.9° | 5.0° |
| O4 | C19 | C13 | H15 | 77.3° | 180.0° |
| C14 | C13 | C19 | H15 | 120.1° | 120.0° |
| C14 | C13 | C19 | C20 | 76.9° | 180.0° |
| C13 | C14 | C15 | H18 | 50.1° | 50.8° |
| C13 | C14 | H16 | H17 | 118.3° | 120.1° |
| C14 | C13 | N1 | H93 | 40.1° | 90.9° |
| C14 | C13 | C19 | H1 | 43.2° | 60.0° |
| C13 | C19 | C20 | H1 | 119.7° | 120.0° |
| C13 | C19 | C20 | N3 | 92.7° | 65.0° |
| C13 | C19 | C20 | O3 | 87.0° | 115.0° |
| C19 | C13 | C14 | H16 | 64.8° | 56.4° |
| C19 | C13 | C14 | H17 | 54.1° | 176.4° |
| C19 | C13 | N1 | H93 | 78.9° | 29.1° |
| C13 | C19 | O4 | H42 | 180.0° | 60.0° |
| C16 | C17 | N2 | C18 | 7.1° | 17.0° |
| C16 | C17 | N2 | H2C | 119.2° | 119.1° |
| C16 | C17 | N2 | H2B | 119.1° | 119.0° |
| C17 | C16 | C15 | H18 | 105.6° | 93.9° |
| C17 | C16 | H2A | H19 | 121.1° | 123.8° |
| C16 | C17 | H2C | H2B | 122.5° | 122.0° |
| C16 | C17 | N2 | H94 | 172.9° | 163.0° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C26 | C25 | C24 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.6° | 0.0° |
| C26 | C25 | C24 | C23 | 1.0° | 0.0° |
| C25 | C26 | C27 | H28 | 179.4° | 179.9° |
| C26 | C25 | C24 | H25 | 179.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.7° | 0.0° |
| C26 | C27 | C28 | H29 | 179.3° | 179.8° |
| C27 | C26 | C25 | H26 | 179.6° | 179.9° |
| O2 | C18 | N2 | C17 | 178.3° | 179.6° |
| O2 | C18 | C15 | H18 | 69.3° | 77.6° |
| O2 | C18 | N2 | H94 | 1.7° | 0.4° |
| C18 | N2 | C17 | H94 | 180.0° | 180.0° |
| N2 | C18 | C15 | H18 | 109.3° | 102.4° |
| C18 | N2 | C17 | H2C | 126.2° | 136.0° |
| C18 | N2 | C17 | H2B | 112.1° | 102.0° |
| C25 | C24 | C23 | H25 | 180.0° | 179.9° |
| C25 | C24 | C23 | C28 | 2.3° | 0.0° |
| C25 | C24 | C23 | C22 | 179.0° | 179.8° |
| C24 | C25 | C26 | H27 | 179.6° | 179.9° |
| N2 | C17 | C16 | H2A | 108.8° | 92.7° |
| N2 | C17 | C16 | H19 | 130.5° | 143.5° |
| N2 | C17 | H2C | H2B | 122.4° | 121.9° |
| C19 | C20 | N3 | O3 | 179.6° | 180.0° |
| C19 | C20 | N3 | C21 | 173.8° | 180.0° |
| C20 | C19 | C13 | H15 | 43.2° | 60.0° |
| C19 | C20 | N3 | H32 | 6.1° | 0.0° |
| C20 | C19 | O4 | H42 | 59.1° | 59.9° |
| C27 | C28 | C23 | C24 | 2.1° | 0.0° |
| C27 | C28 | C23 | H29 | 180.0° | 179.7° |
| C27 | C28 | C23 | C22 | 178.8° | 179.7° |
| C28 | C27 | C26 | H27 | 179.4° | 180.0° |
| C24 | C23 | C28 | C22 | 176.7° | 179.7° |
| C24 | C23 | C22 | C21 | 112.1° | 90.3° |
| C24 | C23 | C28 | H29 | 177.9° | 179.7° |
| C23 | C24 | C25 | H26 | 179.0° | 179.9° |
| C24 | C23 | C22 | H24 | 127.6° | 29.7° |
| C24 | C23 | C22 | H23 | 8.2° | 149.7° |
| C20 | N3 | C21 | H32 | 180.0° | 180.0° |
| C20 | N3 | C21 | C22 | 173.6° | 180.0° |
| C20 | N3 | C21 | H21 | 65.4° | 60.0° |
| C20 | N3 | C21 | H22 | 52.7° | 60.1° |
| N3 | C20 | C19 | H1 | 147.6° | 55.0° |
| O3 | C20 | N3 | C21 | 6.5° | 0.0° |
| O3 | C20 | N3 | H32 | 173.5° | 179.9° |
| O3 | C20 | C19 | H1 | 32.7° | 125.0° |
| C28 | C23 | C22 | C21 | 64.6° | 90.0° |
| C23 | C28 | C27 | H28 | 179.3° | 179.9° |
| C28 | C23 | C24 | H25 | 177.7° | 179.9° |
| C28 | C23 | C22 | H24 | 55.7° | 150.0° |
| C28 | C23 | C22 | H23 | 175.1° | 30.0° |
| N3 | C21 | C22 | C23 | 21.9° | 180.0° |
| N3 | C21 | C22 | H21 | 120.9° | 120.0° |
| N3 | C21 | C22 | H22 | 120.9° | 120.0° |
| N3 | C21 | C22 | H24 | 142.1° | 60.0° |
| N3 | C21 | C22 | H23 | 98.5° | 60.1° |
| N3 | C21 | H21 | H22 | 117.0° | 120.1° |
| C23 | C22 | C21 | H24 | 120.3° | 120.0° |
| C23 | C22 | C21 | H23 | 120.3° | 120.0° |
| C22 | C23 | C28 | H29 | 1.2° | 0.0° |
| C22 | C23 | C24 | H25 | 1.0° | 0.3° |
| C23 | C22 | H24 | H23 | 119.1° | 120.0° |
| C23 | C22 | C21 | H21 | 142.8° | 60.0° |
| C23 | C22 | C21 | H22 | 99.1° | 60.0° |
| C21 | C22 | H24 | H23 | 119.1° | 120.0° |
| C22 | C21 | H21 | H22 | 117.0° | 120.0° |
| C22 | C21 | N3 | H32 | 6.3° | 0.0° |
| H5 | C5 | C4 | H41 | 0.4° | 0.2° |
| H5 | C5 | C6 | H6 | 0.1° | 0.3° |
| H41 | C4 | C3 | H31 | 0.4° | 0.1° |
| H6 | C6 | C7 | H7 | 0.2° | 0.1° |
| H18 | C15 | C14 | H16 | 170.7° | 69.2° |
| H18 | C15 | C14 | H17 | 70.5° | 170.8° |
| H18 | C15 | C16 | H2A | 134.8° | 148.1° |
| H18 | C15 | C16 | H19 | 14.0° | 24.3° |
| H16 | C14 | C13 | H15 | 55.4° | 176.4° |
| H17 | C14 | C13 | H15 | 174.2° | 63.5° |
| H29 | C28 | C27 | H28 | 0.7° | 0.2° |
| H28 | C27 | C26 | H27 | 0.6° | 0.0° |
| H27 | C26 | C25 | H26 | 0.4° | 0.1° |
| H26 | C25 | C24 | H25 | 1.0° | 0.0° |
| H24 | C22 | C21 | H21 | 97.0° | 180.0° |
| H24 | C22 | C21 | H22 | 21.2° | 60.0° |
| H23 | C22 | C21 | H21 | 22.5° | 59.9° |
| H23 | C22 | C21 | H22 | 140.6° | 180.0° |
| H10 | C10 | C11 | H14 | 31.6° | 144.4° |
| H10 | C10 | C9 | H91 | 37.3° | 35.3° |
| H10 | C10 | C9 | H92 | 84.9° | 159.2° |
| H13 | C10 | C11 | H14 | 153.0° | 21.4° |
| H13 | C10 | C9 | H91 | 158.7° | 88.0° |
| H13 | C10 | C9 | H92 | 36.5° | 36.0° |
| H15 | C13 | N1 | H93 | 161.9° | 149.1° |
| H15 | C13 | C19 | H1 | 163.3° | 60.1° |
| H2A | C16 | C17 | H2C | 10.3° | 26.3° |
| H2A | C16 | C17 | H2B | 132.1° | 148.3° |
| H19 | C16 | C17 | H2C | 110.4° | 97.4° |
| H19 | C16 | C17 | H2B | 11.3° | 24.6° |
| H2C | C17 | N2 | H94 | 53.7° | 43.9° |
| H2B | C17 | N2 | H94 | 68.0° | 78.0° |
| H21 | C21 | N3 | H32 | 114.6° | 119.9° |
| H22 | C21 | N3 | H32 | 127.2° | 120.0° |
| H82 | C8 | C9 | H91 | 152.6° | 86.2° |
| H82 | C8 | C9 | H92 | 30.4° | 37.6° |
| H81 | C8 | C9 | H91 | 30.7° | 36.0° |
| H81 | C8 | C9 | H92 | 91.5° | 159.9° |
| H1 | C19 | O4 | H42 | 61.6° | 180.0° |
