OI1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.49Å | 1.57Å | |
| C8 | N2 | sing | 1.45Å | 1.40Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.24Å | |
| C9 | N1 | sing | 1.33Å | 1.43Å | |
| N1 | C10 | sing | 1.46Å | 1.49Å | |
| N1 | C32 | sing | 1.47Å | 1.42Å | |
| C10 | C11 | sing | 1.50Å | 1.54Å | |
| C10 | C25 | sing | 1.53Å | 1.55Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | sing | 1.21Å | 1.23Å | |
| C11 | N2 | doub | 1.33Å | 1.43Å | |
| N2 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.60Å | |
| C12 | C22 | sing | 1.53Å | 1.60Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | O5 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.53Å | 1.47Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| O1 | C1 | C2 | 120.0° | 120.1° |
| O1 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | C6 | 119.9° | 119.9° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | 121.5° | 120.1° |
| C2 | C3 | H3 | 119.3° | 119.9° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 118.2° | 120.1° |
| C3 | C4 | C7 | 120.8° | 119.9° |
| C5 | C4 | C7 | 120.8° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.1° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C4 | C7 | C8 | 109.8° | 109.4° |
| C4 | C7 | H71 | 109.3° | 109.5° |
| C4 | C7 | H72 | 109.4° | 109.5° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C8 | C7 | H71 | 109.3° | 109.5° |
| C8 | C7 | H72 | 109.3° | 109.5° |
| C7 | C8 | C9 | 110.4° | 109.0° |
| C7 | C8 | N2 | 111.0° | 107.1° |
| C7 | C8 | H8 | 110.3° | 109.0° |
| H71 | C7 | H72 | 109.8° | 109.5° |
| C9 | C8 | N2 | 116.0° | 112.2° |
| C9 | C8 | H8 | 104.6° | 109.0° |
| C8 | C9 | O2 | 120.7° | 117.9° |
| C8 | C9 | N1 | 120.7° | 124.3° |
| N2 | C8 | H8 | 104.0° | 110.6° |
| C8 | N2 | C11 | 122.2° | 123.8° |
| C8 | N2 | C12 | 117.8° | 118.1° |
| O2 | C9 | N1 | 118.6° | 117.8° |
| C9 | N1 | C10 | 121.9° | 123.4° |
| C9 | N1 | C32 | 120.2° | 119.7° |
| C10 | N1 | C32 | 117.9° | 116.8° |
| N1 | C10 | C11 | 112.3° | 112.0° |
| N1 | C10 | C25 | 109.7° | 107.3° |
| N1 | C10 | H10 | 110.2° | 109.2° |
| N1 | C32 | C31 | 109.5° | 108.9° |
| N1 | C32 | H321 | 109.5° | 109.2° |
| N1 | C32 | H322 | 109.5° | 110.4° |
| C11 | C10 | C25 | 116.6° | 109.9° |
| C11 | C10 | H10 | 102.1° | 109.2° |
| C10 | C11 | O3 | 116.9° | 117.9° |
| C10 | C11 | N2 | 123.3° | 124.1° |
| C25 | C10 | H10 | 105.2° | 109.2° |
| C10 | C25 | C26 | 112.2° | 110.7° |
| C10 | C25 | H251 | 107.9° | 109.2° |
| C10 | C25 | H252 | 108.6° | 109.2° |
| O3 | C11 | N2 | 119.6° | 117.9° |
| C11 | N2 | C12 | 120.0° | 118.1° |
| N2 | C12 | C13 | 110.5° | 109.4° |
| N2 | C12 | C22 | 107.7° | 109.5° |
| N2 | C12 | H12 | 110.6° | 109.5° |
| C13 | C12 | C22 | 111.5° | 109.5° |
| C13 | C12 | H12 | 106.8° | 109.5° |
| C12 | C13 | O4 | 116.2° | 120.0° |
| C12 | C13 | N3 | 122.3° | 120.0° |
| C22 | C12 | H12 | 109.7° | 109.4° |
| C12 | C22 | C23 | 112.2° | 109.5° |
| C12 | C22 | H221 | 108.0° | 109.5° |
| C12 | C22 | H222 | 108.6° | 109.5° |
| O4 | C13 | N3 | 121.5° | 120.0° |
| C13 | N3 | C14 | 121.0° | 120.0° |
| C13 | N3 | HN3 | 119.5° | 120.0° |
| C14 | N3 | HN3 | 119.5° | 120.0° |
| N3 | C14 | C15 | 110.1° | 109.5° |
| N3 | C14 | H141 | 109.1° | 109.5° |
| N3 | C14 | H142 | 109.3° | 109.5° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C15 | C14 | H142 | 109.3° | 109.5° |
| C14 | C15 | C16 | 112.9° | 109.5° |
| C14 | C15 | H151 | 107.5° | 109.5° |
| C14 | C15 | H152 | 108.3° | 109.5° |
| H141 | C14 | H142 | 110.0° | 109.4° |
| C16 | C15 | H151 | 107.5° | 109.5° |
| C16 | C15 | H152 | 108.3° | 109.5° |
| C15 | C16 | C17 | 120.5° | 119.9° |
| C15 | C16 | C21 | 121.1° | 120.0° |
| H151 | C15 | H152 | 112.2° | 109.4° |
| C17 | C16 | C21 | 118.2° | 120.1° |
| C16 | C17 | C18 | 121.6° | 120.1° |
| C16 | C17 | H17 | 119.2° | 119.9° |
| C16 | C21 | C20 | 120.5° | 120.1° |
| C16 | C21 | H21 | 119.8° | 120.0° |
| C18 | C17 | H17 | 119.2° | 120.0° |
| C17 | C18 | C19 | 119.7° | 119.9° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | O5 | 118.5° | 120.0° |
| C18 | C19 | C20 | 120.6° | 119.9° |
| O5 | C19 | C20 | 120.9° | 120.1° |
| C19 | O5 | HO5 | 109.5° | 106.8° |
| C19 | C20 | C21 | 119.4° | 120.0° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| C21 | C20 | H20 | 120.3° | 120.1° |
| C20 | C21 | H21 | 119.8° | 119.9° |
| C23 | C22 | H221 | 107.9° | 109.5° |
| C23 | C22 | H222 | 108.6° | 109.4° |
| C22 | C23 | C24 | 113.1° | 109.5° |
| C22 | C23 | H231 | 107.4° | 109.5° |
| C22 | C23 | H232 | 108.3° | 109.5° |
| H221 | C22 | H222 | 111.6° | 109.4° |
| C24 | C23 | H231 | 107.4° | 109.5° |
| C24 | C23 | H232 | 108.3° | 109.4° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| H231 | C23 | H232 | 112.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.4° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| C26 | C25 | H251 | 108.0° | 109.2° |
| C26 | C25 | H252 | 108.5° | 109.2° |
| C25 | C26 | C27 | 117.7° | 117.6° |
| C25 | C26 | C31 | 122.7° | 122.8° |
| H251 | C25 | H252 | 111.7° | 109.2° |
| C27 | C26 | C31 | 119.6° | 119.6° |
| C26 | C27 | C28 | 120.4° | 120.6° |
| C26 | C27 | H27 | 119.8° | 119.8° |
| C26 | C31 | C30 | 119.9° | 119.8° |
| C26 | C31 | C32 | 120.6° | 122.4° |
| C28 | C27 | H27 | 119.8° | 119.7° |
| C27 | C28 | C29 | 120.6° | 119.8° |
| C27 | C28 | H28 | 119.7° | 120.1° |
| C29 | C28 | H28 | 119.7° | 120.1° |
| C28 | C29 | C30 | 119.9° | 119.8° |
| C28 | C29 | H29 | 120.0° | 120.1° |
| C30 | C29 | H29 | 120.0° | 120.1° |
| C29 | C30 | C31 | 119.6° | 120.5° |
| C29 | C30 | H30 | 120.2° | 119.8° |
| C31 | C30 | H30 | 120.2° | 119.7° |
| C30 | C31 | C32 | 119.5° | 117.8° |
| C31 | C32 | H321 | 109.5° | 109.4° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.9° | 180.0° |
| O1 | C1 | C2 | C3 | 180.0° | 180.0° |
| O1 | C1 | C2 | H2 | 0.0° | 0.1° |
| O1 | C1 | C6 | C5 | 179.9° | 179.7° |
| O1 | C1 | C6 | H6 | 0.1° | 0.0° |
| HO1 | O1 | C1 | C2 | 175.0° | 90.0° |
| HO1 | O1 | C1 | C6 | 5.1° | 90.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.9° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C4 | C7 | 175.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | C7 | 174.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C7 | C8 | 105.3° | 83.5° |
| C3 | C4 | C7 | H71 | 134.8° | 36.5° |
| C3 | C4 | C7 | H72 | 14.7° | 156.5° |
| H3 | C3 | C4 | C5 | 179.8° | 179.7° |
| H3 | C3 | C4 | C7 | 5.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C7 | C8 | 80.0° | 96.8° |
| C5 | C4 | C7 | H71 | 39.8° | 143.2° |
| C5 | C4 | C7 | H72 | 160.0° | 23.2° |
| C7 | C4 | C5 | C6 | 174.9° | 179.8° |
| C7 | C4 | C5 | H5 | 5.1° | 0.2° |
| C4 | C7 | C8 | H71 | 119.9° | 120.0° |
| C4 | C7 | C8 | H72 | 120.0° | 120.0° |
| C4 | C7 | H71 | H72 | 119.9° | 120.0° |
| C4 | C7 | C8 | C9 | 72.7° | 56.8° |
| C4 | C7 | C8 | N2 | 57.4° | 178.3° |
| C4 | C7 | C8 | H8 | 172.1° | 62.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.2° |
| C8 | C7 | H71 | H72 | 119.9° | 120.0° |
| C7 | C8 | C9 | N2 | 127.4° | 118.5° |
| C7 | C8 | C9 | H8 | 118.7° | 118.8° |
| C7 | C8 | N2 | H8 | 118.6° | 118.6° |
| C7 | C8 | C9 | O2 | 64.7° | 63.5° |
| C7 | C8 | C9 | N1 | 114.0° | 119.4° |
| C7 | C8 | N2 | C11 | 116.1° | 118.5° |
| C7 | C8 | N2 | C12 | 66.5° | 61.7° |
| H71 | C7 | C8 | C9 | 47.1° | 176.8° |
| H71 | C7 | C8 | N2 | 177.3° | 61.7° |
| H71 | C7 | C8 | H8 | 68.0° | 58.0° |
| H72 | C7 | C8 | C9 | 167.3° | 63.2° |
| H72 | C7 | C8 | N2 | 62.6° | 58.4° |
| H72 | C7 | C8 | H8 | 52.2° | 178.0° |
| C9 | C8 | N2 | H8 | 114.2° | 121.8° |
| C8 | C9 | O2 | N1 | 178.7° | 177.3° |
| C8 | C9 | N1 | C10 | 0.6° | 4.4° |
| C8 | C9 | N1 | C32 | 179.5° | 173.7° |
| C9 | C8 | N2 | C11 | 11.0° | 1.1° |
| C9 | C8 | N2 | C12 | 166.3° | 178.7° |
| N2 | C8 | C9 | O2 | 167.9° | 178.0° |
| N2 | C8 | C9 | N1 | 13.5° | 0.9° |
| C8 | N2 | C11 | C10 | 5.1° | 0.4° |
| C8 | N2 | C11 | O3 | 178.9° | 179.5° |
| C8 | N2 | C11 | C12 | 177.3° | 179.8° |
| C8 | N2 | C12 | C13 | 116.9° | 35.4° |
| C8 | N2 | C12 | C22 | 121.1° | 84.6° |
| C8 | N2 | C12 | H12 | 1.2° | 155.4° |
| H8 | C8 | C9 | O2 | 54.0° | 55.2° |
| H8 | C8 | C9 | N1 | 127.3° | 121.8° |
| H8 | C8 | N2 | C11 | 125.2° | 122.9° |
| H8 | C8 | N2 | C12 | 52.1° | 56.9° |
| O2 | C9 | N1 | C10 | 178.1° | 178.5° |
| O2 | C9 | N1 | C32 | 0.8° | 3.3° |
| C9 | N1 | C10 | C32 | 178.9° | 178.2° |
| C9 | N1 | C10 | C11 | 15.3° | 5.3° |
| C9 | N1 | C10 | C25 | 116.1° | 115.3° |
| C9 | N1 | C10 | H10 | 128.5° | 126.4° |
| C9 | N1 | C32 | C31 | 125.0° | 134.9° |
| C9 | N1 | C32 | H321 | 5.0° | 15.4° |
| C9 | N1 | C32 | H322 | 114.9° | 104.9° |
| N1 | C10 | C11 | C25 | 127.8° | 119.2° |
| N1 | C10 | C11 | H10 | 118.1° | 121.1° |
| N1 | C10 | C25 | H10 | 118.6° | 118.3° |
| N1 | C10 | C11 | O3 | 165.6° | 176.5° |
| N1 | C10 | C11 | N2 | 18.3° | 3.4° |
| N1 | C10 | C25 | C26 | 34.8° | 48.1° |
| N1 | C10 | C25 | H251 | 153.6° | 72.2° |
| N1 | C10 | C25 | H252 | 85.2° | 168.4° |
| C10 | N1 | C32 | C31 | 53.8° | 46.8° |
| C10 | N1 | C32 | H321 | 173.8° | 166.3° |
| C10 | N1 | C32 | H322 | 66.2° | 73.4° |
| C32 | N1 | C10 | C11 | 165.8° | 172.9° |
| C32 | N1 | C10 | C25 | 62.8° | 66.4° |
| C32 | N1 | C10 | H10 | 52.7° | 51.8° |
| N1 | C32 | C31 | C26 | 20.8° | 12.7° |
| N1 | C32 | C31 | C30 | 158.9° | 168.0° |
| N1 | C32 | C31 | H321 | 120.0° | 119.3° |
| N1 | C32 | C31 | H322 | 120.0° | 120.8° |
| N1 | C32 | H321 | H322 | 120.0° | 120.9° |
| C11 | C10 | C25 | H10 | 112.3° | 119.7° |
| C10 | C11 | O3 | N2 | 176.3° | 179.9° |
| C10 | C11 | N2 | C12 | 177.7° | 179.8° |
| C11 | C10 | C25 | C26 | 163.9° | 170.1° |
| C11 | C10 | C25 | H251 | 77.3° | 49.8° |
| C11 | C10 | C25 | H252 | 43.9° | 69.6° |
| C25 | C10 | C11 | O3 | 66.6° | 64.3° |
| C25 | C10 | C11 | N2 | 109.5° | 115.8° |
| C10 | C25 | C26 | H251 | 118.8° | 120.3° |
| C10 | C25 | C26 | H252 | 120.0° | 120.3° |
| C10 | C25 | H251 | H252 | 119.2° | 119.4° |
| C10 | C25 | C26 | C27 | 172.2° | 160.4° |
| C10 | C25 | C26 | C31 | 7.9° | 19.7° |
| H10 | C10 | C11 | O3 | 47.5° | 55.4° |
| H10 | C10 | C11 | N2 | 136.4° | 124.5° |
| H10 | C10 | C25 | C26 | 83.8° | 70.2° |
| H10 | C10 | C25 | H251 | 35.0° | 169.5° |
| H10 | C10 | C25 | H252 | 156.2° | 50.1° |
| O3 | C11 | N2 | C12 | 1.6° | 0.3° |
| C11 | N2 | C12 | C13 | 65.7° | 144.4° |
| C11 | N2 | C12 | C22 | 56.4° | 95.6° |
| C11 | N2 | C12 | H12 | 176.2° | 24.4° |
| N2 | C12 | C13 | C22 | 119.8° | 120.0° |
| N2 | C12 | C13 | H12 | 120.4° | 120.0° |
| N2 | C12 | C22 | H12 | 120.5° | 120.0° |
| N2 | C12 | C13 | O4 | 118.9° | 22.8° |
| N2 | C12 | C13 | N3 | 60.3° | 157.2° |
| N2 | C12 | C22 | C23 | 154.5° | 65.5° |
| N2 | C12 | C22 | H221 | 86.7° | 174.4° |
| N2 | C12 | C22 | H222 | 34.5° | 54.5° |
| C13 | C12 | C22 | H12 | 118.1° | 120.0° |
| C12 | C13 | O4 | N3 | 179.1° | 180.0° |
| C12 | C13 | N3 | C14 | 179.0° | 180.0° |
| C12 | C13 | N3 | HN3 | 1.0° | 0.0° |
| C13 | C12 | C22 | C23 | 84.0° | 174.5° |
| C13 | C12 | C22 | H221 | 34.8° | 54.4° |
| C13 | C12 | C22 | H222 | 156.0° | 65.5° |
| C22 | C12 | C13 | O4 | 121.3° | 142.8° |
| C22 | C12 | C13 | N3 | 59.5° | 37.2° |
| C12 | C22 | C23 | H221 | 118.8° | 120.1° |
| C12 | C22 | C23 | H222 | 120.0° | 120.0° |
| C12 | C22 | H221 | H222 | 119.3° | 120.0° |
| C12 | C22 | C23 | C24 | 173.5° | 177.4° |
| C12 | C22 | C23 | H231 | 55.1° | 57.3° |
| C12 | C22 | C23 | H232 | 66.5° | 62.6° |
| H12 | C12 | C13 | O4 | 1.5° | 97.2° |
| H12 | C12 | C13 | N3 | 179.3° | 82.8° |
| H12 | C12 | C22 | C23 | 34.1° | 54.5° |
| H12 | C12 | C22 | H221 | 152.9° | 65.6° |
| H12 | C12 | C22 | H222 | 85.9° | 174.5° |
| O4 | C13 | N3 | C14 | 0.1° | 0.0° |
| O4 | C13 | N3 | HN3 | 179.9° | 180.0° |
| C13 | N3 | C14 | HN3 | 180.0° | 180.0° |
| C13 | N3 | C14 | C15 | 128.1° | 180.0° |
| C13 | N3 | C14 | H141 | 8.4° | 60.0° |
| C13 | N3 | C14 | H142 | 111.9° | 60.0° |
| N3 | C14 | C15 | H141 | 119.7° | 120.0° |
| N3 | C14 | C15 | H142 | 120.0° | 120.0° |
| N3 | C14 | H141 | H142 | 119.8° | 120.0° |
| N3 | C14 | C15 | C16 | 51.0° | 180.0° |
| N3 | C14 | C15 | H151 | 169.4° | 60.0° |
| N3 | C14 | C15 | H152 | 69.1° | 60.0° |
| HN3 | N3 | C14 | C15 | 51.8° | 0.0° |
| HN3 | N3 | C14 | H141 | 171.6° | 120.1° |
| HN3 | N3 | C14 | H142 | 68.2° | 120.0° |
| C15 | C14 | H141 | H142 | 119.8° | 120.0° |
| C14 | C15 | C16 | H151 | 118.5° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.0° | 120.0° |
| C14 | C15 | C16 | C17 | 77.2° | 90.1° |
| C14 | C15 | C16 | C21 | 98.2° | 90.3° |
| H141 | C14 | C15 | C16 | 68.8° | 60.0° |
| H141 | C14 | C15 | H151 | 49.7° | 180.0° |
| H141 | C14 | C15 | H152 | 171.2° | 60.0° |
| H142 | C14 | C15 | C16 | 171.0° | 60.0° |
| H142 | C14 | C15 | H151 | 70.6° | 60.0° |
| H142 | C14 | C15 | H152 | 50.9° | 180.0° |
| C16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | C16 | C17 | C21 | 175.5° | 179.7° |
| C15 | C16 | C17 | C18 | 175.6° | 180.0° |
| C15 | C16 | C17 | H17 | 4.4° | 0.1° |
| C15 | C16 | C21 | C20 | 175.5° | 179.8° |
| C15 | C16 | C21 | H21 | 4.5° | 0.2° |
| H151 | C15 | C16 | C17 | 41.3° | 30.0° |
| H151 | C15 | C16 | C21 | 143.3° | 149.7° |
| H152 | C15 | C16 | C17 | 162.8° | 149.9° |
| H152 | C15 | C16 | C21 | 21.8° | 29.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C16 | C17 | C18 | H18 | 179.7° | 179.9° |
| C17 | C16 | C21 | C20 | 0.0° | 0.6° |
| C17 | C16 | C21 | H21 | 180.0° | 179.9° |
| C21 | C16 | C17 | C18 | 0.0° | 0.4° |
| C21 | C16 | C17 | H17 | 179.9° | 179.7° |
| C16 | C21 | C20 | C19 | 0.3° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.5° |
| C16 | C21 | C20 | H20 | 179.7° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | O5 | 179.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| C18 | C19 | O5 | C20 | 179.7° | 180.0° |
| C18 | C19 | O5 | HO5 | 60.5° | 90.1° |
| C18 | C19 | C20 | C21 | 0.6° | 0.2° |
| C18 | C19 | C20 | H20 | 179.4° | 179.9° |
| H18 | C18 | C19 | O5 | 0.9° | 0.0° |
| H18 | C18 | C19 | C20 | 179.4° | 179.9° |
| O5 | C19 | C20 | C21 | 179.1° | 179.8° |
| O5 | C19 | C20 | H20 | 0.9° | 0.0° |
| C20 | C19 | O5 | HO5 | 119.2° | 90.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
| C23 | C22 | H221 | H222 | 119.2° | 119.9° |
| C22 | C23 | C24 | H231 | 118.4° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.0° | 120.0° |
| C22 | C23 | C24 | H241 | 17.9° | 60.1° |
| C22 | C23 | C24 | H242 | 137.9° | 60.0° |
| C22 | C23 | C24 | H243 | 102.1° | 180.0° |
| H221 | C22 | C23 | C24 | 67.6° | 62.5° |
| H221 | C22 | C23 | H231 | 174.0° | 177.4° |
| H221 | C22 | C23 | H232 | 52.3° | 57.5° |
| H222 | C22 | C23 | C24 | 53.5° | 57.4° |
| H222 | C22 | C23 | H231 | 64.9° | 62.7° |
| H222 | C22 | C23 | H232 | 173.5° | 177.4° |
| C24 | C23 | H231 | H232 | 119.0° | 120.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| H231 | C23 | C24 | H241 | 100.5° | 60.0° |
| H231 | C23 | C24 | H242 | 19.5° | NaN° |
| H231 | C23 | C24 | H243 | 139.5° | 60.0° |
| H232 | C23 | C24 | H241 | 137.9° | 179.9° |
| H232 | C23 | C24 | H242 | 102.1° | 60.0° |
| H232 | C23 | C24 | H243 | 17.9° | 60.0° |
| H241 | C24 | H242 | H243 | 120.0° | 119.9° |
| C26 | C25 | H251 | H252 | 119.2° | 119.4° |
| C25 | C26 | C27 | C31 | 179.9° | 179.9° |
| C25 | C26 | C27 | C28 | 180.0° | 179.5° |
| C25 | C26 | C27 | H27 | 0.1° | 0.4° |
| C25 | C26 | C31 | C30 | 179.6° | 179.3° |
| C25 | C26 | C31 | C32 | 0.2° | 1.4° |
| H251 | C25 | C26 | C27 | 53.4° | 79.3° |
| H251 | C25 | C26 | C31 | 126.7° | 100.6° |
| H252 | C25 | C26 | C27 | 67.9° | 40.1° |
| H252 | C25 | C26 | C31 | 112.1° | 140.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C26 | C27 | C28 | H28 | 179.4° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.5° |
| C27 | C26 | C31 | C32 | 179.9° | 178.7° |
| C31 | C26 | C27 | C28 | 0.1° | 0.4° |
| C31 | C26 | C27 | H27 | 180.0° | 179.7° |
| C26 | C31 | C30 | C29 | 0.1° | 0.4° |
| C26 | C31 | C30 | C32 | 179.8° | 179.3° |
| C26 | C31 | C30 | H30 | 179.9° | 179.6° |
| C26 | C31 | C32 | H321 | 140.8° | 132.0° |
| C26 | C31 | C32 | H322 | 99.2° | 108.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.2° |
| C27 | C28 | C29 | H29 | 179.3° | 179.8° |
| H27 | C27 | C28 | C29 | 179.5° | 179.9° |
| H27 | C27 | C28 | H28 | 0.6° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C28 | C29 | C30 | H30 | 179.6° | 179.9° |
| H28 | C28 | C29 | C30 | 179.3° | 179.8° |
| H28 | C28 | C29 | H29 | 0.8° | 0.3° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 179.9° | 178.9° |
| H29 | C29 | C30 | C31 | 179.6° | 180.0° |
| H29 | C29 | C30 | H30 | 0.4° | 0.0° |
| C30 | C31 | C32 | H321 | 39.0° | 48.7° |
| C30 | C31 | C32 | H322 | 81.0° | 71.1° |
| H30 | C30 | C31 | C32 | 0.1° | 1.2° |
| C31 | C32 | H321 | H322 | 120.0° | 119.9° |
