OAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | S11 | sing | 1.81Å | 1.83Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N21 | sing | 1.46Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C31 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | O31 | doub | 1.21Å | 1.26Å | |
| C32 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å | |
| S11 | C11 | sing | 1.76Å | 1.73Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| N21 | C21 | sing | 1.35Å | 1.34Å | |
| N21 | HN2 | sing | 0.97Å | 1.02Å | |
| C21 | O21 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| C51 | C52 | doub | 1.38Å | 1.38Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.10Å | |
| C52 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | H54 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S11 | 116.1° | 109.5° |
| C2 | C1 | H11 | 109.8° | 109.5° |
| C2 | C1 | H12A | 109.8° | 109.4° |
| C1 | C2 | C3 | 107.9° | 109.5° |
| C1 | C2 | N21 | 111.2° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.4° |
| S11 | C1 | H11 | 109.8° | 109.5° |
| S11 | C1 | H12A | 109.8° | 109.4° |
| C1 | S11 | C11 | 102.0° | 100.0° |
| H11 | C1 | H12A | 100.4° | 109.4° |
| C3 | C2 | N21 | 111.5° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.4° |
| C2 | C3 | C31 | 113.6° | 109.5° |
| C2 | C3 | H31 | 110.7° | 109.5° |
| C2 | C3 | H32 | 110.7° | 109.4° |
| N21 | C2 | H2 | 106.4° | 109.4° |
| C2 | N21 | C21 | 122.4° | 120.0° |
| C2 | N21 | HN2 | 123.4° | 120.0° |
| C31 | C3 | H31 | 110.7° | 109.5° |
| C31 | C3 | H32 | 110.7° | 109.4° |
| C3 | C31 | C32 | 112.9° | 109.5° |
| C3 | C31 | H311 | 111.0° | 109.5° |
| C3 | C31 | H312 | 111.0° | 109.4° |
| H31 | C3 | H32 | 99.7° | 109.4° |
| C32 | C31 | H311 | 110.9° | 109.5° |
| C32 | C31 | H312 | 110.9° | 109.4° |
| C31 | C32 | O31 | 119.0° | 120.0° |
| C31 | C32 | O32 | 118.2° | 120.0° |
| H311 | C31 | H312 | 99.3° | 109.4° |
| O31 | C32 | O32 | 122.8° | 120.0° |
| C32 | O32 | HO3 | 118.1° | 120.0° |
| S11 | C11 | C12 | 118.5° | 120.1° |
| S11 | C11 | C16 | 121.0° | 120.1° |
| C12 | C11 | C16 | 120.5° | 119.8° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | C16 | C15 | 119.5° | 119.9° |
| C11 | C16 | H16 | 120.5° | 120.1° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C13 | C14 | C15 | 118.8° | 120.2° |
| C13 | C14 | C17 | 120.7° | 119.9° |
| C15 | C14 | C17 | 120.5° | 119.9° |
| C14 | C15 | C16 | 120.8° | 120.1° |
| C14 | C15 | H15 | 120.4° | 119.9° |
| C14 | C17 | C18 | 113.2° | 109.5° |
| C14 | C17 | H171 | 110.9° | 109.5° |
| C14 | C17 | H172 | 110.9° | 109.5° |
| C16 | C15 | H15 | 118.8° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C18 | C17 | H171 | 110.8° | 109.4° |
| C18 | C17 | H172 | 110.8° | 109.5° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C17 | C18 | C43 | 120.6° | 120.0° |
| H171 | C17 | H172 | 99.4° | 109.5° |
| C19 | C18 | C43 | 118.9° | 120.1° |
| C18 | C19 | C40 | 121.0° | 120.0° |
| C18 | C19 | H19 | 119.2° | 120.0° |
| C18 | C43 | C42 | 120.5° | 120.0° |
| C18 | C43 | H43 | 119.9° | 120.0° |
| C40 | C19 | H19 | 119.8° | 120.0° |
| C19 | C40 | C41 | 119.7° | 120.0° |
| C19 | C40 | H40 | 120.8° | 120.0° |
| C41 | C40 | H40 | 119.5° | 120.0° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C40 | C41 | H41 | 119.2° | 120.0° |
| C42 | C41 | H41 | 120.9° | 120.0° |
| C41 | C42 | C43 | 120.0° | 120.0° |
| C41 | C42 | H42 | 120.4° | 120.0° |
| C43 | C42 | H42 | 119.6° | 120.0° |
| C42 | C43 | H43 | 119.7° | 120.0° |
| C21 | N21 | HN2 | 114.1° | 120.0° |
| N21 | C21 | O21 | 123.5° | 120.0° |
| N21 | C21 | C22 | 117.3° | 120.0° |
| O21 | C21 | C22 | 119.2° | 120.0° |
| C21 | C22 | C23 | 111.9° | 109.5° |
| C21 | C22 | H221 | 111.3° | 109.5° |
| C21 | C22 | H222 | 111.3° | 109.5° |
| C23 | C22 | H221 | 111.3° | 109.5° |
| C23 | C22 | H222 | 111.3° | 109.4° |
| C22 | C23 | C24 | 110.5° | 109.5° |
| C22 | C23 | H231 | 111.8° | 109.5° |
| C22 | C23 | H232 | 111.8° | 109.5° |
| H221 | C22 | H222 | 99.1° | 109.5° |
| C24 | C23 | H231 | 111.8° | 109.4° |
| C24 | C23 | H232 | 111.8° | 109.4° |
| C23 | C24 | C25 | 111.4° | 109.5° |
| C23 | C24 | H241 | 111.5° | 109.4° |
| C23 | C24 | H242 | 111.5° | 109.6° |
| H231 | C23 | H232 | 98.6° | 109.5° |
| C25 | C24 | H241 | 111.5° | 109.4° |
| C25 | C24 | H242 | 111.5° | 109.4° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C24 | C25 | H251 | 111.6° | 109.4° |
| C24 | C25 | H252 | 111.6° | 109.4° |
| H241 | C24 | H242 | 98.8° | 109.4° |
| C26 | C25 | H251 | 111.6° | 109.5° |
| C26 | C25 | H252 | 111.6° | 109.5° |
| C25 | C26 | C27 | 110.5° | 109.4° |
| C25 | C26 | H261 | 111.9° | 109.4° |
| C25 | C26 | H262 | 111.9° | 109.5° |
| H251 | C25 | H252 | 98.8° | 109.5° |
| C27 | C26 | H261 | 111.8° | 109.4° |
| C27 | C26 | H262 | 111.8° | 109.5° |
| C26 | C27 | C28 | 114.4° | 109.4° |
| C26 | C27 | H271 | 110.4° | 109.4° |
| C26 | C27 | H272 | 110.4° | 109.5° |
| H261 | C26 | H262 | 98.5° | 109.6° |
| C28 | C27 | H271 | 110.4° | 109.5° |
| C28 | C27 | H272 | 110.4° | 109.5° |
| C27 | C28 | C50 | 120.9° | 120.0° |
| C27 | C28 | C54 | 120.7° | 120.0° |
| H271 | C27 | H272 | 99.9° | 109.5° |
| C50 | C28 | C54 | 118.4° | 120.0° |
| C28 | C50 | C51 | 120.8° | 120.0° |
| C28 | C50 | H50 | 119.5° | 120.0° |
| C28 | C54 | C53 | 120.9° | 120.0° |
| C28 | C54 | H54 | 119.5° | 120.0° |
| C51 | C50 | H50 | 119.6° | 120.0° |
| C50 | C51 | C52 | 120.1° | 120.0° |
| C50 | C51 | H51 | 120.2° | 120.0° |
| C52 | C51 | H51 | 119.6° | 120.0° |
| C51 | C52 | C53 | 119.9° | 120.0° |
| C51 | C52 | H52 | 120.1° | 120.0° |
| C53 | C52 | H52 | 120.0° | 120.0° |
| C52 | C53 | C54 | 119.9° | 120.0° |
| C52 | C53 | H53 | 119.5° | 119.9° |
| C54 | C53 | H53 | 120.6° | 120.1° |
| C53 | C54 | H54 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S11 | H11 | 125.2° | 120.1° |
| C2 | C1 | S11 | H12A | 125.3° | 120.0° |
| C2 | C1 | H11 | H12A | 115.6° | 120.0° |
| C1 | C2 | C3 | N21 | 122.4° | 120.1° |
| C1 | C2 | C3 | H2 | 119.9° | 120.0° |
| C1 | C2 | N21 | H2 | 119.9° | 120.0° |
| C1 | C2 | C3 | C31 | 74.5° | 180.0° |
| C1 | C2 | C3 | H31 | 160.2° | 59.9° |
| C1 | C2 | C3 | H32 | 50.7° | 60.0° |
| C2 | C1 | S11 | C11 | 74.6° | 180.0° |
| C1 | C2 | N21 | C21 | 133.7° | 150.0° |
| C1 | C2 | N21 | HN2 | 46.3° | 30.0° |
| S11 | C1 | H11 | H12A | 115.6° | 120.0° |
| S11 | C1 | C2 | C3 | 170.9° | 180.0° |
| S11 | C1 | C2 | N21 | 48.4° | 59.9° |
| S11 | C1 | C2 | H2 | 69.3° | 60.0° |
| C1 | S11 | C11 | C12 | 169.1° | 180.0° |
| C1 | S11 | C11 | C16 | 13.3° | 0.2° |
| H11 | C1 | C2 | C3 | 63.8° | 59.9° |
| H11 | C1 | C2 | N21 | 173.6° | 180.0° |
| H11 | C1 | C2 | H2 | 56.0° | 60.0° |
| H11 | C1 | S11 | C11 | 50.6° | 59.9° |
| H12A | C1 | C2 | C3 | 45.6° | 60.1° |
| H12A | C1 | C2 | N21 | 76.9° | 60.0° |
| H12A | C1 | C2 | H2 | 165.4° | 180.0° |
| H12A | C1 | S11 | C11 | 160.1° | 60.0° |
| C3 | C2 | N21 | H2 | 119.7° | 119.9° |
| C2 | C3 | C31 | H31 | 125.3° | 120.1° |
| C2 | C3 | C31 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 116.6° | 119.9° |
| C2 | C3 | C31 | C32 | 72.3° | 180.0° |
| C2 | C3 | C31 | H311 | 162.4° | 59.9° |
| C2 | C3 | C31 | H312 | 53.0° | 60.0° |
| C3 | C2 | N21 | C21 | 105.9° | 89.9° |
| C3 | C2 | N21 | HN2 | 74.1° | 90.1° |
| N21 | C2 | C3 | C31 | 163.0° | 59.9° |
| N21 | C2 | C3 | H31 | 37.8° | 180.0° |
| N21 | C2 | C3 | H32 | 71.7° | 60.0° |
| C2 | N21 | C21 | HN2 | 180.0° | 180.0° |
| C2 | N21 | C21 | O21 | 0.4° | 0.0° |
| C2 | N21 | C21 | C22 | 179.4° | 180.0° |
| H2 | C2 | C3 | C31 | 45.4° | 60.0° |
| H2 | C2 | C3 | H31 | 79.8° | 60.0° |
| H2 | C2 | C3 | H32 | 170.6° | NaN° |
| H2 | C2 | N21 | C21 | 13.8° | 30.0° |
| H2 | C2 | N21 | HN2 | 166.2° | 150.0° |
| C31 | C3 | H31 | H32 | 116.5° | 120.0° |
| C3 | C31 | C32 | H311 | 125.3° | 120.1° |
| C3 | C31 | C32 | H312 | 125.3° | 120.0° |
| C3 | C31 | H311 | H312 | 116.9° | 120.0° |
| C3 | C31 | C32 | O31 | 147.0° | 0.0° |
| C3 | C31 | C32 | O32 | 34.4° | 180.0° |
| H31 | C3 | C31 | C32 | 52.9° | 59.9° |
| H31 | C3 | C31 | H311 | 72.3° | NaN° |
| H31 | C3 | C31 | H312 | 178.2° | 60.0° |
| H32 | C3 | C31 | C32 | 162.5° | 60.0° |
| H32 | C3 | C31 | H311 | 37.2° | 60.0° |
| H32 | C3 | C31 | H312 | 72.3° | 180.0° |
| C32 | C31 | H311 | H312 | 116.8° | 120.0° |
| C31 | C32 | O31 | O32 | 178.5° | 180.0° |
| C31 | C32 | O32 | HO3 | 180.0° | 180.0° |
| H311 | C31 | C32 | O31 | 87.7° | 120.0° |
| H311 | C31 | C32 | O32 | 90.9° | 59.9° |
| H312 | C31 | C32 | O31 | 21.7° | 120.0° |
| H312 | C31 | C32 | O32 | 159.7° | 60.0° |
| O31 | C32 | O32 | HO3 | 1.5° | 0.0° |
| S11 | C11 | C12 | C16 | 177.7° | 179.8° |
| S11 | C11 | C12 | C13 | 177.1° | 180.0° |
| S11 | C11 | C12 | H12 | 2.9° | 0.0° |
| S11 | C11 | C16 | C15 | 177.3° | 179.7° |
| S11 | C11 | C16 | H16 | 2.7° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.4° | 0.5° |
| C12 | C11 | C16 | H16 | 179.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.6° | 0.2° |
| C16 | C11 | C12 | H12 | 179.4° | 179.8° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.5° |
| C11 | C16 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | C17 | 179.5° | 179.9° |
| H12 | C12 | C13 | C14 | 179.7° | 179.9° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| C13 | C14 | C15 | C17 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C13 | C14 | C17 | C18 | 11.7° | 90.0° |
| C13 | C14 | C17 | H171 | 113.6° | 150.0° |
| C13 | C14 | C17 | H172 | 137.0° | 30.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C17 | C18 | 168.9° | 90.0° |
| C15 | C14 | C17 | H171 | 65.8° | 30.0° |
| C15 | C14 | C17 | H172 | 43.7° | 150.0° |
| C17 | C14 | C15 | C16 | 179.7° | 179.8° |
| C17 | C14 | C15 | H15 | 0.3° | 0.0° |
| C14 | C17 | C18 | H171 | 125.3° | 120.0° |
| C14 | C17 | C18 | H172 | 125.3° | 120.1° |
| C14 | C17 | H171 | H172 | 116.7° | 120.1° |
| C14 | C17 | C18 | C19 | 109.0° | 90.0° |
| C14 | C17 | C18 | C43 | 70.8° | 90.3° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
| C18 | C17 | H171 | H172 | 116.7° | 120.0° |
| C17 | C18 | C19 | C43 | 179.7° | 179.7° |
| C17 | C18 | C19 | C40 | 179.5° | 180.0° |
| C17 | C18 | C19 | H19 | 0.5° | 0.0° |
| C17 | C18 | C43 | C42 | 179.7° | 179.8° |
| C17 | C18 | C43 | H43 | 0.4° | 0.2° |
| H171 | C17 | C18 | C19 | 16.4° | 30.0° |
| H171 | C17 | C18 | C43 | 163.9° | 149.8° |
| H172 | C17 | C18 | C19 | 125.8° | 150.0° |
| H172 | C17 | C18 | C43 | 54.5° | 29.8° |
| C18 | C19 | C40 | H19 | 179.9° | 179.9° |
| C18 | C19 | C40 | C41 | 0.2° | 0.1° |
| C18 | C19 | C40 | H40 | 179.8° | 180.0° |
| C19 | C18 | C43 | C42 | 0.1° | 0.5° |
| C19 | C18 | C43 | H43 | 179.9° | 179.9° |
| C43 | C18 | C19 | C40 | 0.2° | 0.2° |
| C43 | C18 | C19 | H19 | 179.7° | 179.7° |
| C18 | C43 | C42 | C41 | 0.1° | 0.4° |
| C18 | C43 | C42 | H43 | 180.0° | 179.6° |
| C18 | C43 | C42 | H42 | 179.9° | 179.7° |
| C19 | C40 | C41 | H40 | 179.9° | 179.9° |
| C19 | C40 | C41 | C42 | 0.1° | 0.1° |
| C19 | C40 | C41 | H41 | 179.8° | 179.9° |
| H19 | C19 | C40 | C41 | 179.7° | 180.0° |
| H19 | C19 | C40 | H40 | 0.2° | 0.1° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.0° | 0.1° |
| C40 | C41 | C42 | H42 | 179.9° | 180.0° |
| H40 | C40 | C41 | C42 | 179.9° | 180.0° |
| H40 | C40 | C41 | H41 | 0.1° | 0.0° |
| C41 | C42 | C43 | H42 | 179.9° | 179.9° |
| C41 | C42 | C43 | H43 | 180.0° | 180.0° |
| H41 | C41 | C42 | C43 | 180.0° | 179.8° |
| H41 | C41 | C42 | H42 | 0.1° | 0.1° |
| H42 | C42 | C43 | H43 | 0.1° | 0.1° |
| N21 | C21 | O21 | C22 | 179.8° | 180.0° |
| N21 | C21 | C22 | C23 | 79.1° | 180.0° |
| N21 | C21 | C22 | H221 | 46.2° | 60.0° |
| N21 | C21 | C22 | H222 | 155.7° | 60.0° |
| HN2 | N21 | C21 | O21 | 179.6° | 180.0° |
| HN2 | N21 | C21 | C22 | 0.6° | 0.0° |
| O21 | C21 | C22 | C23 | 100.8° | 0.0° |
| O21 | C21 | C22 | H221 | 134.0° | 120.0° |
| O21 | C21 | C22 | H222 | 24.5° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.1° |
| C21 | C22 | C23 | H222 | 125.2° | 120.0° |
| C21 | C22 | H221 | H222 | 117.2° | 120.0° |
| C21 | C22 | C23 | C24 | 48.7° | 180.0° |
| C21 | C22 | C23 | H231 | 76.6° | 60.0° |
| C21 | C22 | C23 | H232 | 173.9° | 60.1° |
| C23 | C22 | H221 | H222 | 117.2° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| C22 | C23 | C24 | C25 | 171.8° | 180.0° |
| C22 | C23 | C24 | H241 | 46.5° | 60.0° |
| C22 | C23 | C24 | H242 | 62.9° | 60.0° |
| H221 | C22 | C23 | C24 | 173.9° | 60.0° |
| H221 | C22 | C23 | H231 | 48.7° | 179.9° |
| H221 | C22 | C23 | H232 | 60.8° | 60.0° |
| H222 | C22 | C23 | C24 | 76.5° | 60.0° |
| H222 | C22 | C23 | H231 | 158.2° | 59.9° |
| H222 | C22 | C23 | H232 | 48.7° | 180.0° |
| C24 | C23 | H231 | H232 | 117.8° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 117.4° | 120.1° |
| C23 | C24 | C25 | C26 | 164.8° | 180.0° |
| C23 | C24 | C25 | H251 | 39.6° | 60.0° |
| C23 | C24 | C25 | H252 | 69.9° | 60.0° |
| H231 | C23 | C24 | C25 | 63.0° | 60.0° |
| H231 | C23 | C24 | H241 | 171.8° | 180.0° |
| H231 | C23 | C24 | H242 | 62.3° | 60.0° |
| H232 | C23 | C24 | C25 | 46.5° | 60.0° |
| H232 | C23 | C24 | H241 | 78.7° | 59.9° |
| H232 | C23 | C24 | H242 | 171.8° | 179.9° |
| C25 | C24 | H241 | H242 | 117.4° | 119.9° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 117.5° | 119.9° |
| C24 | C25 | C26 | C27 | 170.6° | 180.0° |
| C24 | C25 | C26 | H261 | 64.1° | 60.1° |
| C24 | C25 | C26 | H262 | 45.4° | 60.0° |
| H241 | C24 | C25 | C26 | 69.9° | 60.0° |
| H241 | C24 | C25 | H251 | 164.9° | 180.0° |
| H241 | C24 | C25 | H252 | 55.3° | 60.0° |
| H242 | C24 | C25 | C26 | 39.5° | 59.9° |
| H242 | C24 | C25 | H251 | 85.7° | 60.1° |
| H242 | C24 | C25 | H252 | 164.8° | 179.9° |
| C26 | C25 | H251 | H252 | 117.5° | 120.1° |
| C25 | C26 | C27 | H261 | 125.3° | 119.9° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 117.8° | 120.0° |
| C25 | C26 | C27 | C28 | 121.7° | 180.0° |
| C25 | C26 | C27 | H271 | 3.6° | 60.1° |
| C25 | C26 | C27 | H272 | 113.1° | 59.9° |
| H251 | C25 | C26 | C27 | 45.4° | 60.1° |
| H251 | C25 | C26 | H261 | 170.6° | 180.0° |
| H251 | C25 | C26 | H262 | 79.9° | 60.0° |
| H252 | C25 | C26 | C27 | 64.1° | 60.0° |
| H252 | C25 | C26 | H261 | 61.1° | 59.9° |
| H252 | C25 | C26 | H262 | 170.6° | 180.0° |
| C27 | C26 | H261 | H262 | 117.7° | 120.1° |
| C26 | C27 | C28 | H271 | 125.3° | 119.9° |
| C26 | C27 | C28 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H272 | 116.2° | 120.0° |
| C26 | C27 | C28 | C50 | 82.2° | 90.0° |
| C26 | C27 | C28 | C54 | 97.8° | 90.3° |
| H261 | C26 | C27 | C28 | 113.0° | 60.1° |
| H261 | C26 | C27 | H271 | 121.8° | 179.9° |
| H261 | C26 | C27 | H272 | 12.2° | 59.9° |
| H262 | C26 | C27 | C28 | 3.6° | 60.0° |
| H262 | C26 | C27 | H271 | 128.8° | 60.0° |
| H262 | C26 | C27 | H272 | 121.6° | 180.0° |
| C28 | C27 | H271 | H272 | 116.3° | 120.1° |
| C27 | C28 | C50 | C54 | 180.0° | 179.6° |
| C27 | C28 | C50 | C51 | 179.6° | 180.0° |
| C27 | C28 | C50 | H50 | 0.4° | 0.1° |
| C27 | C28 | C54 | C53 | 179.6° | 179.9° |
| C27 | C28 | C54 | H54 | 0.4° | 0.3° |
| H271 | C27 | C28 | C50 | 152.6° | 29.9° |
| H271 | C27 | C28 | C54 | 27.5° | 149.7° |
| H272 | C27 | C28 | C50 | 43.0° | 150.0° |
| H272 | C27 | C28 | C54 | 137.0° | 29.7° |
| C28 | C50 | C51 | H50 | 180.0° | 180.0° |
| C28 | C50 | C51 | C52 | 0.1° | 0.1° |
| C28 | C50 | C51 | H51 | 179.8° | 179.9° |
| C50 | C28 | C54 | C53 | 0.4° | 0.5° |
| C50 | C28 | C54 | H54 | 179.7° | 179.9° |
| C54 | C28 | C50 | C51 | 0.4° | 0.3° |
| C54 | C28 | C50 | H50 | 179.6° | 179.7° |
| C28 | C54 | C53 | C52 | 0.1° | 0.3° |
| C28 | C54 | C53 | H54 | 180.0° | 179.6° |
| C28 | C54 | C53 | H53 | 179.9° | 179.6° |
| C50 | C51 | C52 | H51 | 180.0° | 180.0° |
| C50 | C51 | C52 | C53 | 0.1° | 0.0° |
| C50 | C51 | C52 | H52 | 179.9° | 179.9° |
| H50 | C50 | C51 | C52 | 179.9° | 180.0° |
| H50 | C50 | C51 | H51 | 0.2° | 0.1° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.1° | 0.1° |
| C51 | C52 | C53 | H53 | 179.9° | 179.9° |
| H51 | C51 | C52 | C53 | 179.9° | 180.0° |
| H51 | C51 | C52 | H52 | 0.1° | 0.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| H52 | C52 | C53 | C54 | 179.9° | 179.9° |
| H52 | C52 | C53 | H53 | 0.1° | 0.1° |
| H53 | C53 | C54 | H54 | 0.1° | 0.0° |
