I88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.47Å | 1.50Å | |
| C7 | O8 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O9 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.32Å | |
| N12 | C13 | sing | 1.46Å | 1.46Å | |
| O21 | C20 | doub | 1.21Å | 1.22Å | |
| C13 | C20 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | N22 | sing | 1.35Å | 1.34Å | |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| O34 | C24 | sing | 1.34Å | 1.45Å | |
| O34 | C35 | sing | 1.45Å | 1.43Å | |
| C24 | O33 | doub | 1.21Å | 1.22Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | O32 | sing | 1.36Å | 1.37Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| N12 | H31 | sing | 0.97Å | 1.00Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| N3 | H33 | sing | 1.01Å | 1.00Å | |
| N3 | H34 | sing | 1.01Å | 1.00Å | |
| O32 | H36 | sing | 0.97Å | 0.95Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å | |
| O9 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | C4 | 112.0° | 109.5° |
| N3 | C2 | C1 | 110.3° | 109.5° |
| N3 | C2 | H12 | 107.9° | 109.5° |
| C2 | N3 | H33 | 109.5° | 111.0° |
| C2 | N3 | H34 | 109.5° | 111.0° |
| O8 | C7 | C6 | 108.9° | 109.5° |
| O8 | C7 | H29 | 109.6° | 109.5° |
| O8 | C7 | H30 | 109.6° | 109.5° |
| C7 | O8 | H37 | 109.5° | 114.0° |
| C7 | C6 | C5 | 107.0° | 109.5° |
| C7 | C6 | H27 | 110.1° | 109.5° |
| C7 | C6 | H28 | 110.1° | 109.5° |
| C6 | C7 | H29 | 109.6° | 109.4° |
| C6 | C7 | H30 | 109.6° | 109.5° |
| C6 | C5 | C4 | 112.3° | 109.5° |
| C6 | C5 | H25 | 108.7° | 109.5° |
| C6 | C5 | H26 | 108.8° | 109.4° |
| C5 | C6 | H27 | 110.1° | 109.5° |
| C5 | C6 | H28 | 110.1° | 109.4° |
| C5 | C4 | C2 | 110.7° | 109.4° |
| C5 | C4 | H23 | 109.2° | 109.4° |
| C5 | C4 | H24 | 109.1° | 109.4° |
| C4 | C5 | H25 | 108.8° | 109.5° |
| C4 | C5 | H26 | 108.7° | 109.5° |
| C4 | C2 | C1 | 111.5° | 109.4° |
| C4 | C2 | H12 | 107.5° | 109.5° |
| C2 | C4 | H23 | 109.2° | 109.5° |
| C2 | C4 | H24 | 109.2° | 109.5° |
| C2 | C1 | O9 | 111.6° | 109.4° |
| C2 | C1 | C10 | 109.6° | 109.5° |
| C2 | C1 | H1 | 109.9° | 109.4° |
| C1 | C2 | H12 | 107.4° | 109.5° |
| O9 | C1 | C10 | 103.8° | 109.5° |
| O9 | C1 | H1 | 111.4° | 109.5° |
| C1 | O9 | H38 | 109.5° | 114.0° |
| C1 | C10 | O11 | 119.4° | 120.0° |
| C1 | C10 | N12 | 116.2° | 120.0° |
| C10 | C1 | H1 | 110.5° | 109.5° |
| O11 | C10 | N12 | 124.4° | 120.0° |
| C10 | N12 | C13 | 122.9° | 120.0° |
| C10 | N12 | H31 | 118.6° | 120.0° |
| N12 | C13 | C20 | 110.9° | 109.5° |
| N12 | C13 | C14 | 110.7° | 109.5° |
| N12 | C13 | H2 | 109.5° | 109.5° |
| C13 | N12 | H31 | 118.5° | 120.0° |
| O21 | C20 | C13 | 121.1° | 120.0° |
| O21 | C20 | N22 | 124.2° | 120.0° |
| C20 | C13 | C14 | 108.3° | 109.5° |
| C13 | C20 | N22 | 114.7° | 120.0° |
| C20 | C13 | H2 | 109.0° | 109.5° |
| C13 | C14 | C17 | 111.9° | 109.5° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | C14 | H3 | 108.9° | 109.5° |
| C13 | C14 | H4 | 108.8° | 109.5° |
| C20 | N22 | C23 | 123.2° | 120.0° |
| C20 | N22 | H32 | 118.4° | 120.0° |
| C14 | C17 | C19 | 107.7° | 109.5° |
| C14 | C17 | C18 | 111.8° | 109.5° |
| C17 | C14 | H3 | 108.9° | 109.5° |
| C17 | C14 | H4 | 108.9° | 109.5° |
| C14 | C17 | H5 | 108.5° | 109.5° |
| C19 | C17 | C18 | 112.2° | 109.4° |
| C19 | C17 | H5 | 108.4° | 109.4° |
| C17 | C19 | H9 | 109.5° | 109.4° |
| C17 | C19 | H10 | 109.5° | 109.5° |
| C17 | C19 | H11 | 109.5° | 109.5° |
| C18 | C17 | H5 | 108.3° | 109.5° |
| C17 | C18 | H6 | 109.5° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.4° | 109.4° |
| N22 | C23 | C24 | 109.7° | 109.5° |
| N22 | C23 | C25 | 111.2° | 109.5° |
| N22 | C23 | H13 | 109.6° | 109.4° |
| C23 | N22 | H32 | 118.4° | 120.0° |
| C24 | C23 | C25 | 108.9° | 109.5° |
| C23 | C24 | O34 | 120.2° | 120.0° |
| C23 | C24 | O33 | 120.9° | 120.1° |
| C24 | C23 | H13 | 109.0° | 109.5° |
| C23 | C25 | C26 | 109.3° | 109.5° |
| C25 | C23 | H13 | 108.5° | 109.5° |
| C23 | C25 | H14 | 109.5° | 109.5° |
| C23 | C25 | H15 | 109.5° | 109.5° |
| C24 | O34 | C35 | 119.0° | 117.0° |
| O34 | C24 | O33 | 118.9° | 120.0° |
| O34 | C35 | H20 | 109.5° | 109.5° |
| O34 | C35 | H21 | 109.5° | 109.5° |
| O34 | C35 | H22 | 109.5° | 109.5° |
| C30 | C31 | C26 | 120.7° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.0° |
| C31 | C30 | H18 | 120.0° | 120.0° |
| C30 | C31 | H19 | 119.6° | 120.0° |
| C31 | C26 | C25 | 120.5° | 119.9° |
| C31 | C26 | C27 | 119.3° | 120.2° |
| C26 | C31 | H19 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.2° | 119.9° |
| C26 | C25 | H14 | 109.5° | 109.5° |
| C26 | C25 | H15 | 109.5° | 109.4° |
| C30 | C29 | O32 | 120.4° | 120.1° |
| C30 | C29 | C28 | 119.4° | 119.9° |
| C29 | C30 | H18 | 120.0° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H16 | 119.9° | 120.0° |
| O32 | C29 | C28 | 120.3° | 120.1° |
| C29 | O32 | H36 | 109.5° | 114.0° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C29 | C28 | H17 | 119.8° | 120.0° |
| C28 | C27 | H16 | 119.9° | 120.0° |
| C27 | C28 | H17 | 119.8° | 120.0° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.4° | 109.5° |
| H6 | C18 | H8 | 109.4° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H20 | C35 | H21 | 109.4° | 109.5° |
| H20 | C35 | H22 | 109.5° | 109.4° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H23 | C4 | H24 | 109.5° | 109.5° |
| H25 | C5 | H26 | 109.5° | 109.5° |
| H27 | C6 | H28 | 109.5° | 109.4° |
| H29 | C7 | H30 | 109.5° | 109.5° |
| H33 | N3 | H34 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | C4 | C5 | 68.4° | 65.0° |
| N3 | C2 | C4 | C1 | 124.2° | 120.0° |
| N3 | C2 | C4 | H12 | 118.4° | 120.0° |
| N3 | C2 | C1 | H12 | 117.3° | 120.0° |
| N3 | C2 | C1 | O9 | 29.8° | 65.0° |
| N3 | C2 | C1 | C10 | 144.1° | 55.0° |
| N3 | C2 | C1 | H1 | 94.2° | 175.0° |
| N3 | C2 | C4 | H23 | 51.7° | 175.0° |
| N3 | C2 | C4 | H24 | 171.4° | 55.0° |
| C2 | N3 | H33 | H34 | 120.0° | 123.9° |
| O8 | C7 | C6 | H29 | 119.9° | 120.0° |
| O8 | C7 | C6 | H30 | 119.9° | 120.0° |
| O8 | C7 | C6 | C5 | 176.8° | 180.0° |
| O8 | C7 | C6 | H27 | 63.6° | 60.0° |
| O8 | C7 | C6 | H28 | 57.2° | 60.0° |
| O8 | C7 | H29 | H30 | 120.2° | 120.0° |
| C7 | C6 | C5 | H27 | 119.6° | 120.0° |
| C7 | C6 | C5 | H28 | 119.6° | 120.0° |
| C7 | C6 | C5 | C4 | 177.3° | 180.0° |
| C7 | C6 | C5 | H25 | 56.9° | 60.0° |
| C7 | C6 | C5 | H26 | 62.3° | 60.0° |
| C7 | C6 | H27 | H28 | 121.1° | 120.0° |
| C6 | C7 | H29 | H30 | 120.3° | 120.0° |
| C6 | C7 | O8 | H37 | 180.0° | 180.0° |
| C6 | C5 | C4 | H25 | 120.4° | 120.0° |
| C6 | C5 | C4 | H26 | 120.4° | 120.0° |
| C6 | C5 | C4 | C2 | 176.4° | 180.0° |
| C6 | C5 | C4 | H23 | 63.5° | 60.0° |
| C6 | C5 | C4 | H24 | 56.1° | 60.0° |
| C6 | C5 | H25 | H26 | 118.7° | 119.9° |
| C5 | C6 | H27 | H28 | 121.2° | 119.9° |
| C5 | C6 | C7 | H29 | 56.9° | 60.0° |
| C5 | C6 | C7 | H30 | 63.3° | 60.0° |
| C5 | C4 | C2 | H23 | 120.2° | 120.0° |
| C5 | C4 | C2 | H24 | 120.2° | 120.0° |
| C5 | C4 | C2 | C1 | 167.4° | 175.0° |
| C5 | C4 | C2 | H12 | 49.9° | 55.0° |
| C5 | C4 | H23 | H24 | 119.4° | 120.0° |
| C4 | C5 | H25 | H26 | 118.7° | 120.0° |
| C4 | C5 | C6 | H27 | 63.1° | 59.9° |
| C4 | C5 | C6 | H28 | 57.7° | 60.0° |
| C4 | C2 | C1 | H12 | 117.5° | 120.0° |
| C4 | C2 | C1 | O9 | 154.9° | 55.0° |
| C4 | C2 | C1 | C10 | 90.7° | 175.0° |
| C4 | C2 | C1 | H1 | 30.9° | 65.0° |
| C2 | C4 | H23 | H24 | 119.5° | 120.1° |
| C2 | C4 | C5 | H25 | 56.0° | 60.0° |
| C2 | C4 | C5 | H26 | 63.2° | 60.0° |
| C4 | C2 | N3 | H33 | 180.0° | 60.0° |
| C4 | C2 | N3 | H34 | 60.0° | 176.1° |
| C2 | C1 | O9 | C10 | 117.9° | 120.0° |
| C2 | C1 | O9 | H1 | 123.2° | 119.9° |
| C2 | C1 | C10 | H1 | 121.2° | 120.0° |
| C2 | C1 | C10 | O11 | 76.3° | 115.0° |
| C2 | C1 | C10 | N12 | 105.4° | 65.0° |
| C1 | C2 | C4 | H23 | 72.4° | 55.1° |
| C1 | C2 | C4 | H24 | 47.2° | 65.0° |
| C1 | C2 | N3 | H33 | 55.2° | 60.0° |
| C1 | C2 | N3 | H34 | 175.2° | 63.9° |
| C2 | C1 | O9 | H38 | 99.8° | 60.1° |
| O9 | C1 | C10 | H1 | 119.5° | 120.1° |
| O9 | C1 | C10 | O11 | 43.0° | 4.9° |
| O9 | C1 | C10 | N12 | 135.3° | 175.0° |
| O9 | C1 | C2 | H12 | 87.6° | 175.0° |
| C1 | C10 | O11 | N12 | 178.2° | 180.0° |
| C1 | C10 | N12 | C13 | 175.8° | 180.0° |
| C10 | C1 | C2 | H12 | 26.8° | 65.0° |
| C1 | C10 | N12 | H31 | 4.2° | 0.0° |
| C10 | C1 | O9 | H38 | 18.2° | 59.9° |
| O11 | C10 | N12 | C13 | 5.9° | 0.0° |
| O11 | C10 | C1 | H1 | 162.5° | 125.0° |
| O11 | C10 | N12 | H31 | 174.1° | 180.0° |
| C10 | N12 | C13 | H31 | 180.0° | 179.9° |
| C10 | N12 | C13 | C20 | 133.8° | 155.0° |
| C10 | N12 | C13 | C14 | 106.0° | 85.0° |
| N12 | C10 | C1 | H1 | 15.8° | 55.0° |
| C10 | N12 | C13 | H2 | 13.6° | 35.0° |
| N12 | C13 | C20 | O21 | 27.8° | 0.0° |
| N12 | C13 | C20 | C14 | 121.6° | 120.0° |
| N12 | C13 | C20 | H2 | 120.5° | 120.0° |
| N12 | C13 | C14 | H2 | 120.1° | 120.0° |
| N12 | C13 | C20 | N22 | 151.5° | 180.0° |
| N12 | C13 | C14 | C17 | 74.2° | 65.0° |
| N12 | C13 | C14 | H3 | 46.2° | 55.0° |
| N12 | C13 | C14 | H4 | 165.5° | 175.0° |
| O21 | C20 | C13 | N22 | 179.2° | 180.0° |
| O21 | C20 | C13 | C14 | 93.9° | 120.0° |
| O21 | C20 | N22 | C23 | 0.9° | 0.0° |
| O21 | C20 | C13 | H2 | 148.3° | 120.0° |
| O21 | C20 | N22 | H32 | 179.1° | 180.0° |
| C20 | C13 | C14 | H2 | 118.1° | 120.0° |
| C20 | C13 | C14 | C17 | 164.1° | 175.0° |
| C13 | C20 | N22 | C23 | 178.3° | 180.0° |
| C20 | C13 | C14 | H3 | 75.5° | 65.0° |
| C20 | C13 | C14 | H4 | 43.7° | 55.0° |
| C20 | C13 | N12 | H31 | 46.2° | 25.0° |
| C13 | C20 | N22 | H32 | 1.7° | 0.0° |
| C14 | C13 | C20 | N22 | 86.9° | 60.0° |
| C13 | C14 | C17 | H3 | 120.4° | 120.0° |
| C13 | C14 | C17 | H4 | 120.3° | 120.0° |
| C13 | C14 | C17 | C19 | 161.4° | 65.0° |
| C13 | C14 | C17 | C18 | 75.0° | 175.0° |
| C13 | C14 | H3 | H4 | 118.8° | 120.0° |
| C13 | C14 | C17 | H5 | 44.3° | 55.0° |
| C14 | C13 | N12 | H31 | 74.0° | 95.0° |
| C20 | N22 | C23 | H32 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 75.3° | 85.0° |
| C20 | N22 | C23 | C25 | 164.2° | 155.0° |
| N22 | C20 | C13 | H2 | 30.9° | 60.0° |
| C20 | N22 | C23 | H13 | 44.3° | 35.0° |
| C14 | C17 | C19 | C18 | 123.4° | 120.0° |
| C14 | C17 | C19 | H5 | 117.2° | 120.0° |
| C14 | C17 | C18 | H5 | 119.4° | 120.0° |
| C17 | C14 | C13 | H2 | 46.0° | 55.0° |
| C17 | C14 | H3 | H4 | 118.9° | 120.0° |
| C14 | C17 | C18 | H6 | 180.0° | 60.0° |
| C14 | C17 | C18 | H7 | 60.0° | 180.0° |
| C14 | C17 | C18 | H8 | 60.0° | 60.0° |
| C14 | C17 | C19 | H9 | 180.0° | 60.0° |
| C14 | C17 | C19 | H10 | 60.0° | 180.0° |
| C14 | C17 | C19 | H11 | 60.0° | 60.0° |
| C19 | C17 | C18 | H5 | 119.5° | 120.0° |
| C19 | C17 | C14 | H3 | 41.1° | 175.0° |
| C19 | C17 | C14 | H4 | 78.2° | 55.0° |
| C19 | C17 | C18 | H6 | 59.0° | 60.0° |
| C19 | C17 | C18 | H7 | 61.0° | 60.0° |
| C19 | C17 | C18 | H8 | 178.9° | 180.0° |
| C17 | C19 | H9 | H10 | 120.0° | 120.0° |
| C17 | C19 | H9 | H11 | 120.0° | 120.0° |
| C17 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C17 | C14 | H3 | 164.7° | 55.0° |
| C18 | C17 | C14 | H4 | 45.4° | 65.0° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | H6 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H8 | 120.0° | 119.9° |
| C18 | C17 | C19 | H9 | 56.6° | 180.0° |
| C18 | C17 | C19 | H10 | 176.6° | 60.0° |
| C18 | C17 | C19 | H11 | 63.3° | 60.0° |
| N22 | C23 | C24 | C25 | 121.9° | 120.0° |
| N22 | C23 | C24 | H13 | 119.9° | 119.9° |
| N22 | C23 | C25 | H13 | 120.6° | 119.9° |
| N22 | C23 | C24 | O34 | 143.9° | 180.0° |
| N22 | C23 | C24 | O33 | 36.2° | 0.0° |
| N22 | C23 | C25 | C26 | 175.3° | 65.0° |
| N22 | C23 | C25 | H14 | 64.8° | 55.0° |
| N22 | C23 | C25 | H15 | 55.3° | 175.1° |
| C24 | C23 | C25 | H13 | 118.4° | 120.1° |
| C23 | C24 | O34 | O33 | 179.9° | 180.0° |
| C23 | C24 | O34 | C35 | 166.1° | 180.0° |
| C24 | C23 | C25 | C26 | 54.3° | 175.0° |
| C24 | C23 | C25 | H14 | 174.3° | 65.0° |
| C24 | C23 | C25 | H15 | 65.7° | 55.1° |
| C24 | C23 | N22 | H32 | 104.7° | 95.0° |
| C25 | C23 | C24 | O34 | 94.2° | 60.1° |
| C25 | C23 | C24 | O33 | 85.7° | 119.9° |
| C23 | C25 | C26 | C31 | 61.8° | 90.3° |
| C23 | C25 | C26 | H14 | 120.0° | 120.1° |
| C23 | C25 | C26 | H15 | 120.0° | 120.0° |
| C23 | C25 | C26 | C27 | 117.0° | 90.0° |
| C23 | C25 | H14 | H15 | 120.1° | 120.0° |
| C25 | C23 | N22 | H32 | 15.8° | 25.0° |
| O34 | C24 | C23 | H13 | 24.0° | 60.1° |
| C24 | O34 | C35 | H20 | 180.0° | 60.0° |
| C24 | O34 | C35 | H21 | 60.0° | 60.0° |
| C24 | O34 | C35 | H22 | 60.0° | 179.9° |
| C35 | O34 | C24 | O33 | 13.8° | 0.0° |
| O34 | C35 | H20 | H21 | 120.0° | 120.0° |
| O34 | C35 | H20 | H22 | 120.0° | 119.9° |
| O34 | C35 | H21 | H22 | 120.0° | 120.0° |
| O33 | C24 | C23 | H13 | 156.1° | 119.9° |
| C30 | C31 | C26 | H19 | 180.0° | 179.5° |
| C30 | C31 | C26 | C25 | 179.6° | 179.8° |
| C31 | C30 | C29 | H18 | 180.0° | 179.8° |
| C30 | C31 | C26 | C27 | 0.7° | 0.5° |
| C31 | C30 | C29 | O32 | 179.7° | 179.7° |
| C31 | C30 | C29 | C28 | 0.4° | 0.2° |
| C31 | C26 | C25 | C27 | 178.9° | 179.7° |
| C26 | C31 | C30 | C29 | 0.6° | 0.5° |
| C31 | C26 | C27 | C28 | 0.7° | 0.3° |
| C31 | C26 | C25 | H14 | 58.1° | 149.7° |
| C31 | C26 | C25 | H15 | 178.2° | 29.7° |
| C31 | C26 | C27 | H16 | 179.3° | 179.7° |
| C26 | C31 | C30 | H18 | 179.4° | 179.7° |
| C25 | C26 | C27 | C28 | 179.6° | 180.0° |
| C26 | C25 | C23 | H13 | 64.2° | 54.9° |
| C26 | C25 | H14 | H15 | 120.1° | 119.9° |
| C25 | C26 | C27 | H16 | 0.4° | 0.0° |
| C25 | C26 | C31 | H19 | 0.4° | 0.3° |
| C30 | C29 | O32 | C28 | 179.9° | 179.9° |
| C30 | C29 | C28 | C27 | 0.3° | 0.1° |
| C30 | C29 | C28 | H17 | 179.6° | 180.0° |
| C29 | C30 | C31 | H19 | 179.4° | 180.0° |
| C30 | C29 | O32 | H36 | 180.0° | 89.9° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C27 | C26 | C25 | H14 | 123.0° | 30.0° |
| C27 | C26 | C25 | H15 | 2.9° | 150.0° |
| C26 | C27 | C28 | H17 | 179.5° | 180.0° |
| C27 | C26 | C31 | H19 | 179.3° | 180.0° |
| O32 | C29 | C28 | C27 | 179.7° | 180.0° |
| O32 | C29 | C28 | H17 | 0.3° | 0.0° |
| O32 | C29 | C30 | H18 | 0.3° | 0.0° |
| C29 | C28 | C27 | H17 | 180.0° | 180.0° |
| C29 | C28 | C27 | H16 | 179.5° | 180.0° |
| C28 | C29 | C30 | H18 | 179.6° | 180.0° |
| C28 | C29 | O32 | H36 | 0.1° | 90.0° |
| H1 | C1 | C2 | H12 | 148.4° | 55.0° |
| H1 | C1 | O9 | H38 | 137.1° | 180.0° |
| H2 | C13 | C14 | H3 | 166.4° | 175.0° |
| H2 | C13 | C14 | H4 | 74.4° | 65.0° |
| H2 | C13 | N12 | H31 | 166.4° | 145.0° |
| H3 | C14 | C17 | H5 | 76.1° | 65.0° |
| H4 | C14 | C17 | H5 | 164.7° | 175.0° |
| H5 | C17 | C18 | H6 | 60.6° | 180.0° |
| H5 | C17 | C18 | H7 | 179.4° | 59.9° |
| H5 | C17 | C18 | H8 | 59.4° | 60.0° |
| H5 | C17 | C19 | H9 | 62.8° | 60.0° |
| H5 | C17 | C19 | H10 | 57.2° | 60.0° |
| H5 | C17 | C19 | H11 | 177.2° | 180.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C2 | C4 | H23 | 170.1° | 64.9° |
| H12 | C2 | C4 | H24 | 70.3° | 175.0° |
| H12 | C2 | N3 | H33 | 61.9° | 180.0° |
| H12 | C2 | N3 | H34 | 58.2° | 56.1° |
| H13 | C23 | C25 | H14 | 55.8° | 175.0° |
| H13 | C23 | C25 | H15 | 175.9° | 65.0° |
| H13 | C23 | N22 | H32 | 135.7° | 145.0° |
| H16 | C27 | C28 | H17 | 0.5° | 0.0° |
| H18 | C30 | C31 | H19 | 0.6° | 0.2° |
| H20 | C35 | H21 | H22 | 120.0° | 120.0° |
| H23 | C4 | C5 | H25 | 176.2° | 180.0° |
| H23 | C4 | C5 | H26 | 57.0° | 60.0° |
| H24 | C4 | C5 | H25 | 64.2° | 60.0° |
| H24 | C4 | C5 | H26 | 176.6° | 180.0° |
| H25 | C5 | C6 | H27 | 176.5° | 180.0° |
| H25 | C5 | C6 | H28 | 62.7° | 60.0° |
| H26 | C5 | C6 | H27 | 57.3° | 60.1° |
| H26 | C5 | C6 | H28 | 178.1° | 180.0° |
| H27 | C6 | C7 | H29 | 176.5° | 180.0° |
| H27 | C6 | C7 | H30 | 56.3° | 60.0° |
| H28 | C6 | C7 | H29 | 62.7° | 60.0° |
| H28 | C6 | C7 | H30 | 177.1° | 180.0° |
| H29 | C7 | O8 | H37 | 60.1° | 60.1° |
| H30 | C7 | O8 | H37 | 60.1° | 59.9° |
