RO0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| C1 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | N8 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C11 | sing | 1.51Å | 1.51Å | |
| C6 | C12 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C13 | sing | 1.51Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| N8 | C10 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | O14 | sing | 1.36Å | 1.36Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | N15 | sing | 1.47Å | 1.46Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O16 | sing | 1.36Å | 1.35Å | |
| C13 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| O14 | C19 | sing | 1.43Å | 1.42Å | |
| N15 | C20 | sing | 1.47Å | 1.47Å | |
| N15 | C21 | sing | 1.47Å | 1.48Å | |
| O16 | C22 | sing | 1.43Å | 1.43Å | |
| C17 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C26 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | O28 | sing | 1.36Å | 1.38Å | |
| C24 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O30 | sing | 1.36Å | 1.38Å | |
| O28 | C31 | sing | 1.43Å | 1.42Å | |
| C29 | C32 | sing | 1.51Å | 1.50Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O30 | C33 | sing | 1.43Å | 1.43Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | O37 | sing | 1.36Å | 1.38Å | |
| C35 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| O37 | C40 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.1° | 118.6° |
| C2 | C1 | C4 | 119.0° | 119.5° |
| C1 | C2 | C5 | 117.0° | 118.2° |
| C1 | C2 | C6 | 119.9° | 119.7° |
| C3 | C1 | C4 | 121.9° | 121.9° |
| C1 | C3 | C7 | 121.3° | 120.1° |
| C1 | C3 | N8 | 121.1° | 119.9° |
| C1 | C4 | C9 | 119.7° | 119.6° |
| C1 | C4 | H4 | 120.1° | 120.2° |
| C5 | C2 | C6 | 123.1° | 122.1° |
| C2 | C5 | C10 | 119.9° | 118.7° |
| C2 | C5 | C11 | 120.5° | 120.7° |
| C2 | C6 | C12 | 119.3° | 119.5° |
| C2 | C6 | H6 | 120.4° | 120.2° |
| C7 | C3 | N8 | 117.6° | 120.0° |
| C3 | C7 | C13 | 114.6° | 109.5° |
| C3 | C7 | H71 | 106.6° | 109.5° |
| C3 | C7 | H72 | 107.8° | 109.5° |
| C3 | N8 | C10 | 120.6° | 122.7° |
| C9 | C4 | H4 | 120.1° | 120.2° |
| C4 | C9 | C12 | 120.7° | 120.9° |
| C4 | C9 | O14 | 124.4° | 119.6° |
| C10 | C5 | C11 | 119.6° | 120.6° |
| C5 | C10 | N8 | 122.3° | 121.8° |
| C5 | C10 | H10 | 118.9° | 119.1° |
| C5 | C11 | N15 | 114.3° | 109.4° |
| C5 | C11 | H111 | 106.8° | 109.5° |
| C5 | C11 | H112 | 107.9° | 109.5° |
| C12 | C6 | H6 | 120.3° | 120.3° |
| C6 | C12 | C9 | 121.3° | 120.9° |
| C6 | C12 | O16 | 125.6° | 119.6° |
| C13 | C7 | H71 | 106.6° | 109.4° |
| C13 | C7 | H72 | 107.8° | 109.5° |
| C7 | C13 | C17 | 118.3° | 120.0° |
| C7 | C13 | C18 | 119.7° | 119.9° |
| H71 | C7 | H72 | 113.6° | 109.5° |
| N8 | C10 | H10 | 118.8° | 119.0° |
| C12 | C9 | O14 | 114.9° | 119.6° |
| C9 | C12 | O16 | 113.1° | 119.6° |
| C9 | O14 | C19 | 114.3° | 106.8° |
| N15 | C11 | H111 | 106.8° | 109.5° |
| N15 | C11 | H112 | 107.9° | 109.5° |
| C11 | N15 | C20 | 107.3° | 106.7° |
| C11 | N15 | C21 | 108.5° | 106.7° |
| H111 | C11 | H112 | 113.3° | 109.5° |
| C12 | O16 | C22 | 115.3° | 106.8° |
| C17 | C13 | C18 | 122.0° | 120.1° |
| C13 | C17 | C23 | 117.1° | 120.0° |
| C13 | C17 | H17 | 121.4° | 119.9° |
| C13 | C18 | C24 | 119.9° | 120.2° |
| C13 | C18 | H18 | 120.0° | 119.9° |
| O14 | C19 | H191 | 109.5° | 109.5° |
| O14 | C19 | H192 | 109.4° | 109.5° |
| O14 | C19 | H193 | 109.5° | 109.5° |
| C20 | N15 | C21 | 111.7° | 107.3° |
| N15 | C20 | C25 | 110.8° | 109.8° |
| N15 | C20 | H201 | 108.7° | 109.4° |
| N15 | C20 | H202 | 109.0° | 109.4° |
| N15 | C21 | C26 | 112.4° | 109.7° |
| N15 | C21 | H211 | 107.9° | 109.4° |
| N15 | C21 | H212 | 108.5° | 109.4° |
| O16 | C22 | H221 | 109.5° | 109.5° |
| O16 | C22 | H222 | 109.5° | 109.5° |
| O16 | C22 | H223 | 109.5° | 109.5° |
| C23 | C17 | H17 | 121.4° | 120.1° |
| C17 | C23 | C27 | 121.5° | 119.9° |
| C17 | C23 | O28 | 119.4° | 120.1° |
| C24 | C18 | H18 | 120.0° | 119.9° |
| C18 | C24 | C27 | 117.7° | 120.0° |
| C18 | C24 | H24 | 121.2° | 120.0° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| C25 | C20 | H201 | 108.7° | 109.4° |
| C25 | C20 | H202 | 109.0° | 109.4° |
| C20 | C25 | C29 | 107.4° | 109.2° |
| C20 | C25 | H251 | 110.6° | 109.5° |
| C20 | C25 | H252 | 110.2° | 109.6° |
| H201 | C20 | H202 | 110.6° | 109.3° |
| C26 | C21 | H211 | 107.9° | 109.4° |
| C26 | C21 | H212 | 108.5° | 109.4° |
| C21 | C26 | C29 | 111.6° | 109.2° |
| C21 | C26 | H261 | 108.3° | 109.5° |
| C21 | C26 | H262 | 108.8° | 109.5° |
| H211 | C21 | H212 | 111.7° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| C27 | C23 | O28 | 119.1° | 120.1° |
| C23 | C27 | C24 | 121.7° | 119.8° |
| C23 | C27 | O30 | 118.0° | 120.1° |
| C23 | O28 | C31 | 117.8° | 106.8° |
| C27 | C24 | H24 | 121.1° | 120.0° |
| C24 | C27 | O30 | 120.2° | 120.1° |
| C29 | C25 | H251 | 110.6° | 109.5° |
| C29 | C25 | H252 | 110.2° | 109.5° |
| C25 | C29 | C26 | 109.4° | 108.9° |
| C25 | C29 | C32 | 114.1° | 109.6° |
| C25 | C29 | H29 | 106.6° | 109.6° |
| H251 | C25 | H252 | 107.9° | 109.6° |
| C29 | C26 | H261 | 108.3° | 109.5° |
| C29 | C26 | H262 | 108.7° | 109.5° |
| C26 | C29 | C32 | 110.3° | 109.6° |
| C26 | C29 | H29 | 110.6° | 109.6° |
| H261 | C26 | H262 | 111.2° | 109.5° |
| C27 | O30 | C33 | 118.1° | 106.8° |
| O28 | C31 | H311 | 109.4° | 109.5° |
| O28 | C31 | H312 | 109.5° | 109.5° |
| O28 | C31 | H313 | 109.5° | 109.5° |
| C32 | C29 | H29 | 105.6° | 109.6° |
| C29 | C32 | C34 | 119.5° | 120.0° |
| C29 | C32 | C35 | 120.5° | 120.0° |
| O30 | C33 | H331 | 109.4° | 109.5° |
| O30 | C33 | H332 | 109.5° | 109.5° |
| O30 | C33 | H333 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| C34 | C32 | C35 | 120.0° | 120.0° |
| C32 | C34 | C36 | 121.9° | 119.9° |
| C32 | C34 | O37 | 117.9° | 120.1° |
| C32 | C35 | C38 | 119.0° | 120.1° |
| C32 | C35 | H35 | 120.5° | 120.0° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| C36 | C34 | O37 | 120.1° | 120.0° |
| C34 | C36 | C39 | 117.5° | 119.9° |
| C34 | C36 | H36 | 121.2° | 120.0° |
| C34 | O37 | C40 | 119.0° | 106.8° |
| C38 | C35 | H35 | 120.5° | 119.9° |
| C35 | C38 | C39 | 120.5° | 120.1° |
| C35 | C38 | H38 | 119.8° | 119.9° |
| C39 | C36 | H36 | 121.2° | 120.0° |
| C36 | C39 | C38 | 121.1° | 120.0° |
| C36 | C39 | H39 | 119.5° | 120.0° |
| O37 | C40 | H401 | 109.5° | 109.5° |
| O37 | C40 | H402 | 109.5° | 109.5° |
| O37 | C40 | H403 | 109.5° | 109.5° |
| C39 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | H39 | 119.5° | 120.0° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 179.5° | 179.1° |
| C1 | C2 | C5 | C6 | 179.8° | 179.7° |
| C2 | C1 | C3 | C7 | 178.8° | 179.7° |
| C2 | C1 | C3 | N8 | 1.0° | 0.6° |
| C2 | C1 | C4 | C9 | 0.1° | 0.5° |
| C2 | C1 | C4 | H4 | 179.9° | 179.7° |
| C1 | C2 | C5 | C10 | 0.5° | 0.4° |
| C1 | C2 | C5 | C11 | 178.1° | 179.7° |
| C1 | C2 | C6 | C12 | 0.1° | 0.3° |
| C1 | C2 | C6 | H6 | 179.9° | 179.8° |
| C3 | C1 | C2 | C5 | 0.6° | 0.6° |
| C3 | C1 | C2 | C6 | 179.6° | 179.7° |
| C1 | C3 | C7 | N8 | 179.8° | 179.7° |
| C3 | C1 | C4 | C9 | 179.6° | 179.6° |
| C3 | C1 | C4 | H4 | 0.4° | 0.6° |
| C1 | C3 | C7 | C13 | 80.0° | 90.3° |
| C1 | C3 | C7 | H71 | 37.7° | 149.7° |
| C1 | C3 | C7 | H72 | 160.0° | 29.7° |
| C1 | C3 | N8 | C10 | 0.3° | 0.3° |
| C4 | C1 | C2 | C5 | 179.9° | 179.7° |
| C4 | C1 | C2 | C6 | 0.1° | 0.6° |
| C4 | C1 | C3 | C7 | 0.7° | 0.6° |
| C4 | C1 | C3 | N8 | 179.5° | 179.7° |
| C1 | C4 | C9 | H4 | 180.0° | 179.7° |
| C1 | C4 | C9 | C12 | 0.2° | 0.2° |
| C1 | C4 | C9 | O14 | 178.9° | 179.7° |
| C2 | C5 | C10 | C11 | 177.6° | 179.9° |
| C5 | C2 | C6 | C12 | 179.9° | 180.0° |
| C5 | C2 | C6 | H6 | 0.1° | 0.1° |
| C2 | C5 | C10 | N8 | 1.3° | 0.1° |
| C2 | C5 | C10 | H10 | 178.7° | 180.0° |
| C2 | C5 | C11 | N15 | 60.0° | 75.5° |
| C2 | C5 | C11 | H111 | 57.9° | 44.5° |
| C2 | C5 | C11 | H112 | 179.9° | 164.5° |
| C6 | C2 | C5 | C10 | 179.3° | 180.0° |
| C6 | C2 | C5 | C11 | 1.7° | 0.0° |
| C2 | C6 | C12 | H6 | 180.0° | 180.0° |
| C2 | C6 | C12 | C9 | 0.1° | 0.0° |
| C2 | C6 | C12 | O16 | 178.5° | 180.0° |
| C3 | C7 | C13 | H71 | 117.7° | 120.0° |
| C3 | C7 | C13 | H72 | 120.0° | 120.0° |
| C3 | C7 | H71 | H72 | 118.6° | 120.0° |
| C7 | C3 | N8 | C10 | 179.5° | 180.0° |
| C3 | C7 | C13 | C17 | 62.4° | 89.9° |
| C3 | C7 | C13 | C18 | 118.8° | 90.0° |
| C3 | N8 | C10 | C5 | 0.9° | 0.1° |
| N8 | C3 | C7 | C13 | 100.2° | 90.0° |
| N8 | C3 | C7 | H71 | 142.1° | 30.0° |
| N8 | C3 | C7 | H72 | 19.8° | 150.0° |
| C3 | N8 | C10 | H10 | 179.1° | 180.0° |
| C4 | C9 | C12 | C6 | 0.2° | 0.1° |
| C4 | C9 | C12 | O14 | 179.2° | 179.9° |
| C4 | C9 | C12 | O16 | 178.6° | 180.0° |
| C4 | C9 | O14 | C19 | 1.7° | 0.1° |
| H4 | C4 | C9 | C12 | 179.8° | 180.0° |
| H4 | C4 | C9 | O14 | 1.1° | 0.1° |
| C5 | C10 | N8 | H10 | 180.0° | 179.9° |
| C10 | C5 | C11 | N15 | 122.4° | 104.6° |
| C10 | C5 | C11 | H111 | 119.7° | 135.5° |
| C10 | C5 | C11 | H112 | 2.4° | 15.5° |
| C11 | C5 | C10 | N8 | 178.9° | 180.0° |
| C11 | C5 | C10 | H10 | 1.1° | 0.0° |
| C5 | C11 | N15 | H111 | 117.9° | 119.9° |
| C5 | C11 | N15 | H112 | 120.0° | 120.0° |
| C5 | C11 | H111 | H112 | 118.7° | 120.0° |
| C5 | C11 | N15 | C20 | 74.9° | 164.2° |
| C5 | C11 | N15 | C21 | 164.3° | 81.3° |
| C6 | C12 | C9 | O16 | 178.8° | 180.0° |
| C6 | C12 | C9 | O14 | 179.0° | 180.0° |
| C6 | C12 | O16 | C22 | 1.3° | 0.0° |
| H6 | C6 | C12 | C9 | 179.9° | 179.9° |
| H6 | C6 | C12 | O16 | 1.5° | 0.0° |
| C13 | C7 | H71 | H72 | 118.6° | 119.9° |
| C7 | C13 | C17 | C18 | 178.8° | 179.9° |
| C7 | C13 | C17 | C23 | 179.5° | 179.7° |
| C7 | C13 | C17 | H17 | 0.6° | 0.1° |
| C7 | C13 | C18 | C24 | 180.0° | 179.9° |
| C7 | C13 | C18 | H18 | 0.0° | 0.1° |
| H71 | C7 | C13 | C17 | 179.9° | 30.1° |
| H71 | C7 | C13 | C18 | 1.1° | 150.0° |
| H72 | C7 | C13 | C17 | 57.6° | 150.0° |
| H72 | C7 | C13 | C18 | 121.2° | 30.0° |
| C12 | C9 | O14 | C19 | 179.1° | 180.0° |
| C9 | C12 | O16 | C22 | 180.0° | 180.0° |
| O14 | C9 | C12 | O16 | 2.2° | 0.1° |
| C9 | O14 | C19 | H191 | 60.8° | 59.9° |
| C9 | O14 | C19 | H192 | 179.2° | 180.0° |
| C9 | O14 | C19 | H193 | 59.2° | 60.0° |
| N15 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | N15 | C20 | C21 | 118.8° | 114.1° |
| C11 | N15 | C20 | C25 | 178.0° | 179.7° |
| C11 | N15 | C20 | H201 | 58.6° | 60.2° |
| C11 | N15 | C20 | H202 | 61.9° | 59.6° |
| C11 | N15 | C21 | C26 | 170.2° | 179.7° |
| C11 | N15 | C21 | H211 | 71.0° | 59.6° |
| C11 | N15 | C21 | H212 | 50.2° | 60.2° |
| H111 | C11 | N15 | C20 | 167.2° | 44.2° |
| H111 | C11 | N15 | C21 | 46.4° | 158.7° |
| H112 | C11 | N15 | C20 | 45.1° | 75.8° |
| H112 | C11 | N15 | C21 | 75.7° | 38.7° |
| C12 | O16 | C22 | H221 | 1.8° | 60.0° |
| C12 | O16 | C22 | H222 | 121.8° | 180.0° |
| C12 | O16 | C22 | H223 | 118.2° | 60.0° |
| C13 | C17 | C23 | H17 | 180.0° | 179.8° |
| C17 | C13 | C18 | C24 | 1.3° | 0.0° |
| C17 | C13 | C18 | H18 | 178.7° | 180.0° |
| C13 | C17 | C23 | C27 | 1.1° | 0.5° |
| C13 | C17 | C23 | O28 | 179.5° | 180.0° |
| C18 | C13 | C17 | C23 | 1.8° | 0.2° |
| C18 | C13 | C17 | H17 | 178.2° | 180.0° |
| C13 | C18 | C24 | H18 | 180.0° | 180.0° |
| C13 | C18 | C24 | C27 | 0.0° | 0.0° |
| C13 | C18 | C24 | H24 | 180.0° | 180.0° |
| O14 | C19 | H191 | H192 | 120.0° | 120.1° |
| O14 | C19 | H191 | H193 | 120.0° | 120.0° |
| O14 | C19 | H192 | H193 | 120.0° | 120.0° |
| N15 | C20 | C25 | H201 | 119.4° | 120.1° |
| N15 | C20 | C25 | H202 | 120.0° | 120.2° |
| N15 | C20 | H201 | H202 | 119.6° | 119.8° |
| C20 | N15 | C21 | C26 | 52.2° | 65.6° |
| C20 | N15 | C21 | H211 | 170.9° | 54.5° |
| C20 | N15 | C21 | H212 | 67.9° | 174.3° |
| N15 | C20 | C25 | C29 | 63.2° | 61.4° |
| N15 | C20 | C25 | H251 | 175.9° | 58.5° |
| N15 | C20 | C25 | H252 | 56.7° | 178.7° |
| C21 | N15 | C20 | C25 | 59.2° | 65.7° |
| C21 | N15 | C20 | H201 | 60.2° | 174.3° |
| C21 | N15 | C20 | H202 | 179.2° | 54.5° |
| N15 | C21 | C26 | H211 | 118.8° | 120.1° |
| N15 | C21 | C26 | H212 | 120.0° | 120.1° |
| N15 | C21 | H211 | H212 | 119.2° | 119.8° |
| N15 | C21 | C26 | C29 | 50.5° | 61.4° |
| N15 | C21 | C26 | H261 | 68.5° | 58.6° |
| N15 | C21 | C26 | H262 | 170.5° | 178.7° |
| O16 | C22 | H221 | H222 | 120.0° | 120.0° |
| O16 | C22 | H221 | H223 | 120.0° | 120.1° |
| O16 | C22 | H222 | H223 | 120.0° | 120.0° |
| C17 | C23 | C27 | O28 | 179.4° | 179.5° |
| C17 | C23 | C27 | C24 | 0.1° | 0.5° |
| C17 | C23 | C27 | O30 | 179.2° | 179.7° |
| C17 | C23 | O28 | C31 | 0.2° | 0.1° |
| H17 | C17 | C23 | C27 | 178.9° | 179.7° |
| H17 | C17 | C23 | O28 | 0.5° | 0.2° |
| C18 | C24 | C27 | C23 | 0.7° | 0.3° |
| C18 | C24 | C27 | H24 | 180.0° | 180.0° |
| C18 | C24 | C27 | O30 | 179.7° | 180.0° |
| H18 | C18 | C24 | C27 | 180.0° | 180.0° |
| H18 | C18 | C24 | H24 | 0.0° | 0.0° |
| H191 | C19 | H192 | H193 | 120.0° | 119.9° |
| C25 | C20 | H201 | H202 | 119.7° | 119.8° |
| C20 | C25 | C29 | H251 | 120.8° | 119.9° |
| C20 | C25 | C29 | H252 | 120.0° | 120.0° |
| C20 | C25 | H251 | H252 | 120.6° | 120.2° |
| C20 | C25 | C29 | C26 | 60.6° | 55.6° |
| C20 | C25 | C29 | C32 | 175.2° | 175.4° |
| C20 | C25 | C29 | H29 | 59.0° | 64.3° |
| H201 | C20 | C25 | C29 | 56.2° | 178.6° |
| H201 | C20 | C25 | H251 | 64.7° | 61.6° |
| H201 | C20 | C25 | H252 | 176.1° | 58.6° |
| H202 | C20 | C25 | C29 | 176.8° | 58.8° |
| H202 | C20 | C25 | H251 | 55.9° | 178.6° |
| H202 | C20 | C25 | H252 | 63.3° | 61.2° |
| C26 | C21 | H211 | H212 | 119.2° | 119.9° |
| C21 | C26 | C29 | C25 | 55.4° | 55.6° |
| C21 | C26 | C29 | H261 | 119.1° | 120.0° |
| C21 | C26 | C29 | H262 | 120.0° | 119.9° |
| C21 | C26 | H261 | H262 | 119.4° | 120.1° |
| C21 | C26 | C29 | C32 | 178.3° | 175.5° |
| C21 | C26 | C29 | H29 | 61.8° | 64.2° |
| H211 | C21 | C26 | C29 | 169.3° | 58.7° |
| H211 | C21 | C26 | H261 | 50.3° | 178.7° |
| H211 | C21 | C26 | H262 | 70.7° | 61.2° |
| H212 | C21 | C26 | C29 | 69.4° | 178.5° |
| H212 | C21 | C26 | H261 | 171.5° | 61.5° |
| H212 | C21 | C26 | H262 | 50.5° | 58.6° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| C23 | C27 | C24 | O30 | 179.1° | 179.8° |
| C23 | C27 | C24 | H24 | 179.3° | 179.8° |
| C27 | C23 | O28 | C31 | 179.2° | 179.5° |
| C23 | C27 | O30 | C33 | 179.7° | 179.8° |
| O28 | C23 | C27 | C24 | 179.3° | 180.0° |
| O28 | C23 | C27 | O30 | 0.2° | 0.2° |
| C23 | O28 | C31 | H311 | 118.7° | 60.0° |
| C23 | O28 | C31 | H312 | 121.3° | 60.0° |
| C23 | O28 | C31 | H313 | 1.3° | 180.0° |
| C24 | C27 | O30 | C33 | 0.6° | 0.0° |
| H24 | C24 | C27 | O30 | 0.3° | 0.0° |
| C29 | C25 | H251 | H252 | 120.5° | 120.1° |
| C25 | C29 | C26 | C32 | 126.3° | 119.9° |
| C25 | C29 | C26 | H29 | 117.2° | 119.8° |
| C25 | C29 | C26 | H261 | 63.7° | 64.4° |
| C25 | C29 | C26 | H262 | 175.4° | 175.5° |
| C25 | C29 | C32 | H29 | 116.8° | 120.3° |
| C25 | C29 | C32 | C34 | 132.5° | 119.7° |
| C25 | C29 | C32 | C35 | 48.3° | 60.0° |
| H251 | C25 | C29 | C26 | 178.5° | 64.3° |
| H251 | C25 | C29 | C32 | 54.4° | 55.5° |
| H251 | C25 | C29 | H29 | 61.8° | 175.8° |
| H252 | C25 | C29 | C26 | 59.3° | 175.5° |
| H252 | C25 | C29 | C32 | 64.8° | 64.6° |
| H252 | C25 | C29 | H29 | 179.0° | 55.7° |
| C29 | C26 | H261 | H262 | 119.4° | 120.1° |
| C26 | C29 | C32 | H29 | 119.5° | 120.3° |
| C26 | C29 | C32 | C34 | 103.8° | 120.8° |
| C26 | C29 | C32 | C35 | 75.4° | 59.5° |
| H261 | C26 | C29 | C32 | 62.6° | 55.5° |
| H261 | C26 | C29 | H29 | 179.1° | 175.8° |
| H262 | C26 | C29 | C32 | 58.3° | 64.6° |
| H262 | C26 | C29 | H29 | 58.2° | 55.7° |
| C27 | O30 | C33 | H331 | 58.0° | 60.1° |
| C27 | O30 | C33 | H332 | 62.0° | 60.0° |
| C27 | O30 | C33 | H333 | 178.0° | 180.0° |
| O28 | C31 | H311 | H312 | 120.0° | 120.0° |
| O28 | C31 | H311 | H313 | 120.0° | 120.0° |
| O28 | C31 | H312 | H313 | 120.1° | 120.0° |
| C29 | C32 | C34 | C35 | 179.2° | 179.7° |
| C29 | C32 | C34 | C36 | 179.7° | 179.8° |
| C29 | C32 | C34 | O37 | 1.9° | 0.3° |
| C29 | C32 | C35 | C38 | 179.3° | 180.0° |
| C29 | C32 | C35 | H35 | 0.7° | 0.1° |
| H29 | C29 | C32 | C34 | 15.8° | 0.6° |
| H29 | C29 | C32 | C35 | 165.1° | 179.7° |
| O30 | C33 | H331 | H332 | 120.0° | 120.0° |
| O30 | C33 | H331 | H333 | 120.0° | 119.9° |
| O30 | C33 | H332 | H333 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| C32 | C34 | C36 | O37 | 178.4° | 179.5° |
| C34 | C32 | C35 | C38 | 0.2° | 0.3° |
| C34 | C32 | C35 | H35 | 179.9° | 179.7° |
| C32 | C34 | C36 | C39 | 1.1° | 0.5° |
| C32 | C34 | C36 | H36 | 178.9° | 179.7° |
| C32 | C34 | O37 | C40 | 179.7° | 179.5° |
| C35 | C32 | C34 | C36 | 0.5° | 0.6° |
| C35 | C32 | C34 | O37 | 179.0° | 180.0° |
| C32 | C35 | C38 | H35 | 180.0° | 180.0° |
| C32 | C35 | C38 | C39 | 0.4° | 0.1° |
| C32 | C35 | C38 | H38 | 179.6° | 180.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| C34 | C36 | C39 | H36 | 180.0° | 179.8° |
| C36 | C34 | O37 | C40 | 1.2° | 0.0° |
| C34 | C36 | C39 | C38 | 1.3° | 0.3° |
| C34 | C36 | C39 | H39 | 178.7° | 179.8° |
| O37 | C34 | C36 | C39 | 179.5° | 180.0° |
| O37 | C34 | C36 | H36 | 0.5° | 0.2° |
| C34 | O37 | C40 | H401 | 100.5° | 60.0° |
| C34 | O37 | C40 | H402 | 139.5° | 60.0° |
| C34 | O37 | C40 | H403 | 19.5° | 179.9° |
| C35 | C38 | C39 | C36 | 1.0° | 0.0° |
| C35 | C38 | C39 | H38 | 180.0° | 180.0° |
| C35 | C38 | C39 | H39 | 179.0° | 180.0° |
| H35 | C35 | C38 | C39 | 179.6° | 180.0° |
| H35 | C35 | C38 | H38 | 0.4° | 0.0° |
| C36 | C39 | C38 | H39 | 180.0° | 180.0° |
| C36 | C39 | C38 | H38 | 179.0° | 180.0° |
| H36 | C36 | C39 | C38 | 178.7° | 179.9° |
| H36 | C36 | C39 | H39 | 1.3° | 0.0° |
| O37 | C40 | H401 | H402 | 120.0° | 120.0° |
| O37 | C40 | H401 | H403 | 120.0° | 120.0° |
| O37 | C40 | H402 | H403 | 120.0° | 120.0° |
| H38 | C38 | C39 | H39 | 1.0° | 0.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
