A1ECF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.52Å | 1.53Å | |
| C08 | C10 | sing | 1.51Å | 1.52Å | |
| O03 | C13 | doub | 1.22Å | 1.18Å | |
| O02 | C09 | sing | 1.43Å | 1.41Å | |
| C30 | C27 | sing | 1.51Å | 1.53Å | |
| C07 | C09 | sing | 1.53Å | 1.54Å | |
| C24 | C19 | sing | 1.51Å | 1.52Å | |
| C13 | C16 | sing | 1.48Å | 1.53Å | |
| C13 | N05 | sing | 1.35Å | 1.47Å | |
| C10 | N05 | sing | 1.47Å | 1.45Å | |
| C19 | C16 | doub | 1.40Å | 1.52Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.52Å | Aromatic |
| C09 | C11 | sing | 1.52Å | 1.56Å | |
| C16 | C20 | sing | 1.40Å | 1.53Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.53Å | Aromatic |
| N05 | C12 | sing | 1.40Å | 1.46Å | |
| C20 | C23 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.51Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.52Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.53Å | Aromatic |
| C22 | N06 | sing | 1.39Å | 1.45Å | |
| C29 | C32 | sing | 1.38Å | 1.51Å | Aromatic |
| N06 | C25 | sing | 1.35Å | 1.45Å | |
| C11 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.54Å | Aromatic |
| C12 | C15 | sing | 1.39Å | 1.55Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.52Å | |
| C25 | O04 | doub | 1.22Å | 1.17Å | |
| C26 | C28 | doub | 1.40Å | 1.51Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C14 | C17 | doub | 1.39Å | 1.52Å | Aromatic |
| C15 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
| C28 | C31 | sing | 1.38Å | 1.51Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | CL01 | sing | 1.74Å | 1.78Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C10 | 111.7° | 113.6° |
| C08 | C07 | C09 | 116.0° | 111.1° |
| C08 | C07 | H072 | 107.8° | 109.1° |
| C08 | C07 | H071 | 107.8° | 109.1° |
| C07 | C08 | H082 | 109.0° | 108.6° |
| C07 | C08 | H081 | 109.0° | 108.7° |
| C08 | C10 | N05 | 114.4° | 110.6° |
| C08 | C10 | H101 | 108.2° | 109.2° |
| C08 | C10 | H102 | 108.2° | 109.2° |
| C10 | C08 | H082 | 108.9° | 108.7° |
| C10 | C08 | H081 | 108.9° | 108.7° |
| O03 | C13 | C16 | 110.4° | 120.0° |
| O03 | C13 | N05 | 118.6° | 120.0° |
| O02 | C09 | C07 | 108.7° | 109.5° |
| O02 | C09 | C11 | 109.4° | 109.5° |
| O02 | C09 | H091 | 108.3° | 109.6° |
| C09 | O02 | H021 | 109.5° | 114.0° |
| C30 | C27 | C29 | 119.1° | 120.0° |
| C30 | C27 | C26 | 122.4° | 120.1° |
| C27 | C30 | H302 | 109.5° | 109.5° |
| C27 | C30 | H301 | 109.5° | 109.4° |
| C27 | C30 | H303 | 109.5° | 109.5° |
| C07 | C09 | C11 | 116.9° | 109.1° |
| C09 | C07 | H072 | 107.8° | 109.2° |
| C09 | C07 | H071 | 107.8° | 109.2° |
| C07 | C09 | H091 | 106.7° | 109.5° |
| C24 | C19 | C16 | 120.8° | 120.0° |
| C24 | C19 | C21 | 119.0° | 120.1° |
| C19 | C24 | H242 | 109.5° | 109.5° |
| C19 | C24 | H243 | 109.4° | 109.5° |
| C19 | C24 | H241 | 109.5° | 109.5° |
| C16 | C13 | N05 | 131.0° | 120.0° |
| C13 | C16 | C19 | 125.0° | 120.1° |
| C13 | C16 | C20 | 115.2° | 120.0° |
| C13 | N05 | C10 | 116.5° | 121.0° |
| C13 | N05 | C12 | 123.3° | 121.1° |
| C10 | N05 | C12 | 120.1° | 117.9° |
| N05 | C10 | H101 | 108.3° | 109.3° |
| N05 | C10 | H102 | 108.2° | 109.3° |
| C16 | C19 | C21 | 120.1° | 119.9° |
| C19 | C16 | C20 | 119.6° | 119.9° |
| C19 | C21 | C22 | 120.4° | 120.1° |
| C19 | C21 | H211 | 119.8° | 120.0° |
| C09 | C11 | C12 | 123.8° | 119.7° |
| C09 | C11 | C14 | 117.2° | 120.0° |
| C11 | C09 | H091 | 106.4° | 109.5° |
| C16 | C20 | C23 | 120.5° | 119.9° |
| C16 | C20 | H201 | 119.8° | 120.1° |
| C21 | C22 | C23 | 119.7° | 120.1° |
| C21 | C22 | N06 | 121.7° | 119.9° |
| C22 | C21 | H211 | 119.8° | 119.9° |
| N05 | C12 | C11 | 116.9° | 119.7° |
| N05 | C12 | C15 | 122.2° | 120.2° |
| C20 | C23 | C22 | 119.6° | 120.1° |
| C23 | C20 | H201 | 119.7° | 120.0° |
| C20 | C23 | H231 | 120.2° | 120.0° |
| C29 | C27 | C26 | 118.5° | 119.9° |
| C27 | C29 | C32 | 119.7° | 120.1° |
| C27 | C29 | H291 | 120.2° | 119.9° |
| C27 | C26 | C25 | 119.6° | 120.1° |
| C27 | C26 | C28 | 121.5° | 119.7° |
| C23 | C22 | N06 | 118.5° | 119.9° |
| C22 | C23 | H231 | 120.2° | 119.9° |
| C22 | N06 | C25 | 124.7° | 120.0° |
| C22 | N06 | H061 | 117.7° | 120.0° |
| C29 | C32 | C31 | 121.9° | 120.3° |
| C32 | C29 | H291 | 120.1° | 120.0° |
| C29 | C32 | H321 | 119.0° | 119.8° |
| N06 | C25 | C26 | 117.0° | 120.0° |
| N06 | C25 | O04 | 123.3° | 120.0° |
| C25 | N06 | H061 | 117.7° | 120.0° |
| C12 | C11 | C14 | 119.0° | 120.3° |
| C11 | C12 | C15 | 120.9° | 120.0° |
| C11 | C14 | C17 | 120.7° | 119.7° |
| C11 | C14 | H141 | 119.7° | 120.1° |
| C12 | C15 | C18 | 119.2° | 119.6° |
| C12 | C15 | H151 | 120.4° | 120.2° |
| C26 | C25 | O04 | 119.7° | 120.0° |
| C25 | C26 | C28 | 118.9° | 120.2° |
| C26 | C28 | C31 | 120.2° | 119.9° |
| C26 | C28 | H281 | 119.9° | 120.1° |
| C32 | C31 | C28 | 118.2° | 120.1° |
| C32 | C31 | H311 | 120.9° | 119.9° |
| C31 | C32 | H321 | 119.1° | 119.9° |
| C14 | C17 | C18 | 120.0° | 120.2° |
| C14 | C17 | CL01 | 119.6° | 119.9° |
| C17 | C14 | H141 | 119.7° | 120.2° |
| C15 | C18 | C17 | 120.2° | 120.2° |
| C18 | C15 | H151 | 120.4° | 120.2° |
| C15 | C18 | H181 | 119.9° | 119.9° |
| C31 | C28 | H281 | 119.9° | 120.0° |
| C28 | C31 | H311 | 120.9° | 120.0° |
| C18 | C17 | CL01 | 120.5° | 119.9° |
| C17 | C18 | H181 | 119.9° | 119.9° |
| H101 | C10 | H102 | 109.5° | 109.3° |
| H072 | C07 | H071 | 109.4° | 109.1° |
| H082 | C08 | H081 | 109.4° | 108.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.4° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C10 | H082 | 120.4° | 121.0° |
| C07 | C08 | C10 | H081 | 120.4° | 121.1° |
| C08 | C07 | C09 | O02 | 52.8° | 34.8° |
| C08 | C07 | C09 | H072 | 121.0° | 120.4° |
| C08 | C07 | C09 | H071 | 121.0° | 120.4° |
| C07 | C08 | C10 | N05 | 72.0° | 64.5° |
| C08 | C07 | C09 | C11 | 71.7° | 85.0° |
| C07 | C08 | C10 | H101 | 48.7° | 55.8° |
| C07 | C08 | C10 | H102 | 167.3° | 175.3° |
| C08 | C07 | H072 | H071 | 117.0° | 119.1° |
| C07 | C08 | H082 | H081 | 119.0° | 118.0° |
| C08 | C07 | C09 | H091 | 169.4° | 155.1° |
| C10 | C08 | C07 | C09 | 66.9° | 69.2° |
| C08 | C10 | N05 | C13 | 91.3° | 95.9° |
| C08 | C10 | N05 | H101 | 120.7° | 120.2° |
| C08 | C10 | N05 | H102 | 120.7° | 120.2° |
| C08 | C10 | N05 | C12 | 87.1° | 84.1° |
| C08 | C10 | H101 | H102 | 117.8° | 119.4° |
| C10 | C08 | C07 | H072 | 172.1° | 170.3° |
| C10 | C08 | C07 | H071 | 54.1° | 51.2° |
| C10 | C08 | H082 | H081 | 119.0° | 118.0° |
| O03 | C13 | C16 | N05 | 178.7° | 179.9° |
| O03 | C13 | N05 | C10 | 0.6° | 5.1° |
| O03 | C13 | C16 | C19 | 109.9° | 45.5° |
| O03 | C13 | C16 | C20 | 65.7° | 134.2° |
| O03 | C13 | N05 | C12 | 178.9° | 174.9° |
| O02 | C09 | C07 | C11 | 124.5° | 119.9° |
| O02 | C09 | C07 | H091 | 116.6° | 120.2° |
| O02 | C09 | C11 | H091 | 116.8° | 120.2° |
| O02 | C09 | C11 | C12 | 70.8° | 50.4° |
| O02 | C09 | C11 | C14 | 108.3° | 128.2° |
| O02 | C09 | C07 | H072 | 68.1° | 85.6° |
| O02 | C09 | C07 | H071 | 173.8° | 155.2° |
| C30 | C27 | C29 | C26 | 179.8° | 179.9° |
| C30 | C27 | C29 | C32 | 179.7° | 179.9° |
| C30 | C27 | C26 | C25 | 0.3° | 0.1° |
| C30 | C27 | C26 | C28 | 179.8° | 179.8° |
| C30 | C27 | C29 | H291 | 0.3° | 0.1° |
| C27 | C30 | H302 | H301 | 120.0° | 120.0° |
| C27 | C30 | H302 | H303 | 120.0° | 120.0° |
| C27 | C30 | H301 | H303 | 120.0° | 120.0° |
| C07 | C09 | C11 | H091 | 119.0° | 119.9° |
| C07 | C09 | C11 | C12 | 53.4° | 69.5° |
| C07 | C09 | C11 | C14 | 127.5° | 111.9° |
| C09 | C07 | H072 | H071 | 117.0° | 119.3° |
| C09 | C07 | C08 | H082 | 172.8° | 51.8° |
| C09 | C07 | C08 | H081 | 53.4° | 169.6° |
| C07 | C09 | O02 | H021 | 180.0° | 179.9° |
| C24 | C19 | C16 | C13 | 3.6° | 0.1° |
| C24 | C19 | C16 | C21 | 178.9° | 180.0° |
| C24 | C19 | C16 | C20 | 179.0° | 179.7° |
| C24 | C19 | C21 | C22 | 179.0° | 180.0° |
| C24 | C19 | C21 | H211 | 1.0° | 0.0° |
| C19 | C24 | H242 | H243 | 120.0° | 119.9° |
| C19 | C24 | H242 | H241 | 120.0° | 120.1° |
| C19 | C24 | H243 | H241 | 120.0° | 120.0° |
| C16 | C13 | N05 | C10 | 179.2° | 174.9° |
| C13 | C16 | C19 | C20 | 175.4° | 179.6° |
| C13 | C16 | C19 | C21 | 177.5° | 180.0° |
| C16 | C13 | N05 | C12 | 2.4° | 5.2° |
| C13 | C16 | C20 | C23 | 178.0° | 180.0° |
| C13 | C16 | C20 | H201 | 2.1° | 0.1° |
| C13 | N05 | C10 | C12 | 178.4° | 179.9° |
| N05 | C13 | C16 | C19 | 71.3° | 134.5° |
| N05 | C13 | C16 | C20 | 113.1° | 45.9° |
| C13 | N05 | C12 | C11 | 118.4° | 112.9° |
| C13 | N05 | C12 | C15 | 63.5° | 68.7° |
| C13 | N05 | C10 | H101 | 148.0° | 143.9° |
| C13 | N05 | C10 | H102 | 29.5° | 24.3° |
| C10 | N05 | C12 | C11 | 59.8° | 67.0° |
| C10 | N05 | C12 | C15 | 118.2° | 111.3° |
| N05 | C10 | H101 | H102 | 117.8° | 119.5° |
| N05 | C10 | C08 | H082 | 167.6° | 56.6° |
| N05 | C10 | C08 | H081 | 48.4° | 174.4° |
| C16 | C19 | C21 | C22 | 0.0° | 0.0° |
| C19 | C16 | C20 | C23 | 2.1° | 0.4° |
| C19 | C16 | C20 | H201 | 177.9° | 179.7° |
| C16 | C19 | C21 | H211 | 180.0° | 179.9° |
| C16 | C19 | C24 | H242 | 89.5° | 93.1° |
| C16 | C19 | C24 | H243 | 150.5° | 147.0° |
| C16 | C19 | C24 | H241 | 30.5° | 27.0° |
| C21 | C19 | C16 | C20 | 2.1° | 0.3° |
| C19 | C21 | C22 | H211 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 2.1° | 0.3° |
| C19 | C21 | C22 | N06 | 178.9° | 180.0° |
| C21 | C19 | C24 | H242 | 89.5° | 87.0° |
| C21 | C19 | C24 | H243 | 30.5° | 32.9° |
| C21 | C19 | C24 | H241 | 150.5° | 153.0° |
| C09 | C11 | C12 | N05 | 1.4° | 4.8° |
| C09 | C11 | C12 | C14 | 179.1° | 178.6° |
| C09 | C11 | C12 | C15 | 179.5° | 176.9° |
| C09 | C11 | C14 | C17 | 179.8° | 177.5° |
| C09 | C11 | C14 | H141 | 0.2° | 2.5° |
| C11 | C09 | C07 | H072 | 167.4° | 154.5° |
| C11 | C09 | C07 | H071 | 49.3° | 35.3° |
| C11 | C09 | O02 | H021 | 51.2° | 60.3° |
| C16 | C20 | C23 | H201 | 180.0° | 179.9° |
| C16 | C20 | C23 | C22 | 0.0° | 0.1° |
| C16 | C20 | C23 | H231 | 180.0° | 180.0° |
| C21 | C22 | C23 | C20 | 2.0° | 0.3° |
| C21 | C22 | C23 | N06 | 176.9° | 179.7° |
| C21 | C22 | N06 | C25 | 39.9° | 147.9° |
| C21 | C22 | C23 | H231 | 177.9° | 179.7° |
| C21 | C22 | N06 | H061 | 140.1° | 32.1° |
| N05 | C12 | C11 | C15 | 178.1° | 178.3° |
| N05 | C12 | C11 | C14 | 179.5° | 176.6° |
| N05 | C12 | C15 | C18 | 179.4° | 177.2° |
| C12 | N05 | C10 | H101 | 33.6° | 36.2° |
| C12 | N05 | C10 | H102 | 152.1° | 155.7° |
| N05 | C12 | C15 | H151 | 0.6° | 2.8° |
| C20 | C23 | C22 | H231 | 180.0° | 179.9° |
| C20 | C23 | C22 | N06 | 179.0° | 180.0° |
| C27 | C29 | C32 | H291 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 179.5° | 180.0° |
| C29 | C27 | C26 | C28 | 0.0° | 0.3° |
| C27 | C29 | C32 | C31 | 0.2° | 0.3° |
| C29 | C27 | C30 | H302 | 89.9° | 96.5° |
| C29 | C27 | C30 | H301 | 150.1° | 143.5° |
| C29 | C27 | C30 | H303 | 30.1° | 23.5° |
| C27 | C29 | C32 | H321 | 179.8° | 180.0° |
| C26 | C27 | C29 | C32 | 0.0° | 0.0° |
| C27 | C26 | C25 | N06 | 57.7° | 173.9° |
| C27 | C26 | C25 | C28 | 179.5° | 179.7° |
| C27 | C26 | C25 | O04 | 122.2° | 6.1° |
| C27 | C26 | C28 | C31 | 0.0° | 0.3° |
| C27 | C26 | C28 | H281 | 180.0° | 179.7° |
| C26 | C27 | C29 | H291 | 180.0° | 180.0° |
| C26 | C27 | C30 | H302 | 89.9° | 83.4° |
| C26 | C27 | C30 | H301 | 30.1° | 36.6° |
| C26 | C27 | C30 | H303 | 150.1° | 156.5° |
| C23 | C22 | N06 | C25 | 143.3° | 32.4° |
| C22 | C23 | C20 | H201 | 180.0° | 180.0° |
| C23 | C22 | C21 | H211 | 177.9° | 179.8° |
| C23 | C22 | N06 | H061 | 36.8° | 147.6° |
| C22 | N06 | C25 | H061 | 180.0° | 180.0° |
| C22 | N06 | C25 | C26 | 178.5° | 175.0° |
| C22 | N06 | C25 | O04 | 1.4° | 5.0° |
| N06 | C22 | C21 | H211 | 1.1° | 0.1° |
| N06 | C22 | C23 | H231 | 1.0° | 0.1° |
| C29 | C32 | C31 | H321 | 180.0° | 179.7° |
| C29 | C32 | C31 | C28 | 0.2° | 0.3° |
| C29 | C32 | C31 | H311 | 179.7° | 179.7° |
| N06 | C25 | C26 | O04 | 179.9° | 180.0° |
| N06 | C25 | C26 | C28 | 121.8° | 5.8° |
| C12 | C11 | C14 | C17 | 0.7° | 1.1° |
| C11 | C12 | C15 | C18 | 1.4° | 1.1° |
| C12 | C11 | C14 | H141 | 179.3° | 178.9° |
| C11 | C12 | C15 | H151 | 178.6° | 178.9° |
| C12 | C11 | C09 | H091 | 172.4° | 170.6° |
| C14 | C11 | C12 | C15 | 1.4° | 1.7° |
| C11 | C14 | C17 | H141 | 180.0° | 180.0° |
| C11 | C14 | C17 | C18 | 0.1° | 0.0° |
| C11 | C14 | C17 | CL01 | 179.7° | 180.0° |
| C14 | C11 | C09 | H091 | 8.5° | 8.0° |
| C12 | C15 | C18 | H151 | 180.0° | 180.0° |
| C12 | C15 | C18 | C17 | 0.7° | 0.1° |
| C12 | C15 | C18 | H181 | 179.4° | 180.0° |
| C25 | C26 | C28 | C31 | 179.5° | 180.0° |
| C25 | C26 | C28 | H281 | 0.5° | 0.0° |
| C26 | C25 | N06 | H061 | 1.5° | 5.0° |
| O04 | C25 | C26 | C28 | 58.3° | 174.2° |
| O04 | C25 | N06 | H061 | 178.6° | 175.0° |
| C26 | C28 | C31 | C32 | 0.2° | 0.0° |
| C26 | C28 | C31 | H281 | 180.0° | 180.0° |
| C26 | C28 | C31 | H311 | 179.8° | 180.0° |
| C32 | C31 | C28 | H311 | 180.0° | 180.0° |
| C32 | C31 | C28 | H281 | 179.8° | 180.0° |
| C31 | C32 | C29 | H291 | 179.8° | 179.7° |
| C14 | C17 | C18 | C15 | 0.1° | 0.5° |
| C14 | C17 | C18 | CL01 | 179.7° | 179.9° |
| C14 | C17 | C18 | H181 | 179.9° | 179.4° |
| C15 | C18 | C17 | H181 | 180.0° | 179.9° |
| C15 | C18 | C17 | CL01 | 179.7° | 179.4° |
| C28 | C31 | C32 | H321 | 179.7° | 180.0° |
| C18 | C17 | C14 | H141 | 179.9° | 180.0° |
| C17 | C18 | C15 | H151 | 179.3° | 180.0° |
| CL01 | C17 | C14 | H141 | 0.3° | 0.0° |
| CL01 | C17 | C18 | H181 | 0.3° | 0.6° |
| H101 | C10 | C08 | H082 | 71.6° | 176.9° |
| H101 | C10 | C08 | H081 | 169.1° | 65.3° |
| H102 | C10 | C08 | H082 | 46.9° | 63.7° |
| H102 | C10 | C08 | H081 | 72.4° | 54.2° |
| H151 | C15 | C18 | H181 | 0.7° | 0.0° |
| H072 | C07 | C08 | H082 | 51.8° | 68.6° |
| H072 | C07 | C08 | H081 | 67.5° | 49.2° |
| H072 | C07 | C09 | H091 | 48.5° | 34.7° |
| H071 | C07 | C08 | H082 | 66.3° | 172.3° |
| H071 | C07 | C08 | H081 | 174.4° | 69.9° |
| H071 | C07 | C09 | H091 | 69.6° | 84.5° |
| H091 | C09 | O02 | H021 | 64.5° | 59.9° |
| H201 | C20 | C23 | H231 | 0.0° | 0.1° |
| H242 | C24 | H243 | H241 | 120.0° | 120.0° |
| H281 | C28 | C31 | H311 | 0.2° | 0.0° |
| H291 | C29 | C32 | H321 | 0.2° | 0.0° |
| H302 | C30 | H301 | H303 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.0° |
