XAQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N24 | sing | 1.47Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| N24 | C25 | sing | 1.47Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C21 | C26 | sing | 1.53Å | 1.50Å | |
| C21 | S18 | sing | 1.81Å | 1.81Å | |
| C16 | N17 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| N17 | S18 | sing | 1.66Å | 1.68Å | |
| S18 | O19 | doub | 1.42Å | 1.46Å | |
| S18 | O20 | doub | 1.42Å | 1.48Å | |
| F28 | C27 | sing | 1.35Å | 1.32Å | |
| C15 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.47Å | |
| O10 | C08 | doub | 1.22Å | 1.30Å | |
| C08 | C07 | sing | 1.47Å | 1.48Å | |
| C08 | O09 | sing | 1.35Å | 1.32Å | |
| C11 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C30 | sing | 1.47Å | 1.43Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.35Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.37Å | 1.38Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 1.01Å | 1.00Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C23 | C22 | 111.7° | 109.5° |
| C23 | N24 | C25 | 119.4° | 111.2° |
| N24 | C23 | H232 | 108.9° | 109.5° |
| N24 | C23 | H231 | 108.9° | 109.5° |
| C23 | N24 | H241 | 106.9° | 111.0° |
| C23 | C22 | C21 | 115.5° | 109.3° |
| C23 | C22 | H221 | 108.0° | 109.5° |
| C23 | C22 | H222 | 108.0° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.4° |
| N24 | C25 | C26 | 119.1° | 109.5° |
| N24 | C25 | H252 | 107.0° | 109.5° |
| N24 | C25 | H251 | 107.0° | 109.4° |
| C25 | N24 | H241 | 106.9° | 111.0° |
| C22 | C21 | C26 | 110.1° | 109.1° |
| C22 | C21 | S18 | 109.1° | 109.5° |
| C22 | C21 | H211 | 110.8° | 109.6° |
| C21 | C22 | H221 | 107.9° | 109.5° |
| C21 | C22 | H222 | 107.9° | 109.5° |
| C25 | C26 | C21 | 112.4° | 109.3° |
| C26 | C25 | H252 | 107.0° | 109.5° |
| C26 | C25 | H251 | 107.0° | 109.5° |
| C25 | C26 | H262 | 108.7° | 109.5° |
| C25 | C26 | H261 | 108.7° | 109.5° |
| C26 | C21 | S18 | 109.0° | 109.5° |
| C26 | C21 | H211 | 110.7° | 109.5° |
| C21 | C26 | H262 | 108.7° | 109.5° |
| C21 | C26 | H261 | 108.7° | 109.5° |
| C21 | S18 | N17 | 109.6° | 104.4° |
| C21 | S18 | O19 | 106.9° | 110.5° |
| C21 | S18 | O20 | 105.1° | 110.5° |
| S18 | C21 | H211 | 107.0° | 109.6° |
| N17 | C16 | C15 | 109.4° | 109.5° |
| C16 | N17 | S18 | 117.5° | 120.0° |
| N17 | C16 | H161 | 109.5° | 109.5° |
| N17 | C16 | H162 | 109.5° | 109.5° |
| C16 | N17 | H171 | 107.4° | 120.0° |
| C16 | C15 | C27 | 120.0° | 119.9° |
| C16 | C15 | C14 | 121.9° | 119.8° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| N17 | S18 | O19 | 108.5° | 104.2° |
| N17 | S18 | O20 | 113.6° | 104.3° |
| S18 | N17 | H171 | 107.4° | 120.0° |
| O19 | S18 | O20 | 113.0° | 121.1° |
| F28 | C27 | C15 | 119.3° | 119.9° |
| F28 | C27 | C29 | 120.2° | 120.0° |
| C27 | C15 | C14 | 118.1° | 120.3° |
| C15 | C27 | C29 | 120.4° | 120.1° |
| C15 | C14 | C13 | 121.9° | 120.1° |
| C15 | C14 | H141 | 119.0° | 119.9° |
| C27 | C29 | C12 | 120.5° | 119.8° |
| C27 | C29 | H291 | 119.8° | 120.1° |
| C14 | C13 | C12 | 119.3° | 119.9° |
| C14 | C13 | H131 | 120.4° | 120.0° |
| C13 | C14 | H141 | 119.1° | 119.9° |
| C29 | C12 | C13 | 119.6° | 119.7° |
| C29 | C12 | C11 | 122.2° | 120.1° |
| C12 | C29 | H291 | 119.7° | 120.1° |
| C13 | C12 | C11 | 118.2° | 120.1° |
| C12 | C13 | H131 | 120.4° | 120.1° |
| C12 | C11 | C07 | 129.8° | 126.8° |
| C12 | C11 | C30 | 123.9° | 126.7° |
| O10 | C08 | C07 | 113.9° | 120.0° |
| O10 | C08 | O09 | 127.1° | 120.0° |
| C07 | C08 | O09 | 118.3° | 120.0° |
| C08 | C07 | C11 | 131.3° | 125.5° |
| C08 | C07 | N06 | 120.3° | 125.5° |
| C08 | O09 | H2 | 109.5° | 114.0° |
| C07 | C11 | C30 | 105.8° | 106.5° |
| C11 | C07 | N06 | 108.2° | 109.0° |
| C11 | C30 | C31 | 133.5° | 133.6° |
| C11 | C30 | C05 | 108.2° | 106.4° |
| C07 | N06 | C05 | 111.9° | 110.2° |
| C07 | N06 | H061 | 124.0° | 124.9° |
| C31 | C30 | C05 | 118.3° | 120.0° |
| C30 | C31 | C32 | 118.1° | 119.8° |
| C30 | C31 | H311 | 121.0° | 120.1° |
| C30 | C05 | N06 | 105.9° | 108.0° |
| C30 | C05 | C04 | 124.1° | 119.2° |
| C31 | C32 | C33 | 122.8° | 120.5° |
| C32 | C31 | H311 | 120.9° | 120.1° |
| C31 | C32 | H321 | 118.6° | 119.8° |
| N06 | C05 | C04 | 130.0° | 132.9° |
| C05 | N06 | H061 | 124.1° | 124.9° |
| C05 | C04 | C33 | 115.2° | 119.9° |
| C05 | C04 | C02 | 121.3° | 120.0° |
| C32 | C33 | C04 | 121.0° | 120.7° |
| C33 | C32 | H321 | 118.6° | 119.7° |
| C32 | C33 | H331 | 119.5° | 119.6° |
| C33 | C04 | C02 | 123.5° | 120.1° |
| C04 | C33 | H331 | 119.5° | 119.7° |
| C04 | C02 | C03 | 109.6° | 109.5° |
| C04 | C02 | C01 | 109.8° | 109.4° |
| C04 | C02 | H021 | 107.5° | 109.5° |
| C03 | C02 | C01 | 114.7° | 109.5° |
| C03 | C02 | H021 | 107.6° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C23 | C22 | H232 | 120.4° | 120.1° |
| N24 | C23 | C22 | H231 | 120.4° | 120.0° |
| C23 | N24 | C25 | H241 | 121.4° | 124.1° |
| N24 | C23 | C22 | C21 | 44.9° | 59.2° |
| C23 | N24 | C25 | C26 | 17.5° | 61.7° |
| N24 | C23 | C22 | H221 | 165.8° | 60.8° |
| N24 | C23 | C22 | H222 | 76.0° | 179.1° |
| N24 | C23 | H232 | H231 | 119.0° | 120.0° |
| C23 | N24 | C25 | H252 | 138.9° | 58.3° |
| C23 | N24 | C25 | H251 | 103.9° | 178.3° |
| C22 | C23 | N24 | C25 | 22.0° | 61.7° |
| C23 | C22 | C21 | H221 | 120.9° | 119.9° |
| C23 | C22 | C21 | H222 | 120.9° | 120.0° |
| C23 | C22 | C21 | C26 | 62.3° | 57.6° |
| C23 | C22 | C21 | S18 | 178.0° | 177.5° |
| C23 | C22 | C21 | H211 | 60.5° | 62.2° |
| C23 | C22 | H221 | H222 | 117.3° | 120.1° |
| C22 | C23 | H232 | H231 | 118.9° | 119.9° |
| C22 | C23 | N24 | H241 | 99.4° | 62.4° |
| N24 | C25 | C26 | H252 | 121.4° | 120.0° |
| N24 | C25 | C26 | H251 | 121.4° | 120.0° |
| N24 | C25 | C26 | C21 | 32.9° | 59.2° |
| C25 | N24 | C23 | H232 | 98.3° | 178.2° |
| C25 | N24 | C23 | H231 | 142.4° | 58.3° |
| N24 | C25 | H252 | H251 | 115.7° | 120.0° |
| N24 | C25 | C26 | H262 | 87.5° | 179.1° |
| N24 | C25 | C26 | H261 | 153.3° | 60.8° |
| C22 | C21 | C26 | C25 | 53.4° | 57.7° |
| C22 | C21 | C26 | S18 | 119.7° | 119.9° |
| C22 | C21 | C26 | H211 | 122.8° | 119.9° |
| C22 | C21 | S18 | H211 | 119.9° | 120.2° |
| C22 | C21 | S18 | N17 | 72.6° | 59.7° |
| C22 | C21 | S18 | O19 | 44.8° | 51.8° |
| C22 | C21 | S18 | O20 | 165.1° | 171.4° |
| C21 | C22 | H221 | H222 | 117.2° | 120.1° |
| C21 | C22 | C23 | H232 | 75.4° | 179.3° |
| C21 | C22 | C23 | H231 | 165.3° | 60.9° |
| C22 | C21 | C26 | H262 | 67.0° | 177.6° |
| C22 | C21 | C26 | H261 | 173.8° | 62.3° |
| C25 | C26 | C21 | H262 | 120.4° | 119.9° |
| C25 | C26 | C21 | H261 | 120.4° | 120.0° |
| C25 | C26 | C21 | S18 | 173.1° | 177.6° |
| C25 | C26 | C21 | H211 | 69.4° | 62.3° |
| C26 | C25 | H252 | H251 | 115.6° | 120.0° |
| C25 | C26 | H262 | H261 | 118.6° | 120.1° |
| C26 | C25 | N24 | H241 | 103.9° | 62.4° |
| C26 | C21 | S18 | H211 | 119.8° | 120.1° |
| C26 | C21 | S18 | N17 | 167.1° | 179.4° |
| C26 | C21 | S18 | O19 | 75.5° | 67.8° |
| C26 | C21 | S18 | O20 | 44.8° | 69.0° |
| C26 | C21 | C22 | H221 | 176.8° | 62.3° |
| C26 | C21 | C22 | H222 | 58.5° | 177.6° |
| C21 | C26 | C25 | H252 | 154.3° | 60.8° |
| C21 | C26 | C25 | H251 | 88.5° | 179.2° |
| C21 | C26 | H262 | H261 | 118.7° | 120.1° |
| C21 | S18 | N17 | C16 | 72.4° | 65.4° |
| C21 | S18 | N17 | O19 | 116.4° | 116.0° |
| C21 | S18 | N17 | O20 | 117.1° | 116.1° |
| C21 | S18 | O19 | O20 | 115.1° | 131.5° |
| S18 | C21 | C22 | H221 | 57.1° | 57.6° |
| S18 | C21 | C22 | H222 | 61.1° | 62.5° |
| S18 | C21 | C26 | H262 | 52.7° | 62.5° |
| S18 | C21 | C26 | H261 | 66.4° | 57.6° |
| C21 | S18 | N17 | H171 | 166.5° | 114.6° |
| N17 | C16 | C15 | H161 | 120.0° | 120.0° |
| N17 | C16 | C15 | H162 | 120.0° | 120.0° |
| C16 | N17 | S18 | H171 | 121.2° | 180.0° |
| C16 | N17 | S18 | O19 | 171.3° | 178.6° |
| C16 | N17 | S18 | O20 | 44.8° | 50.7° |
| N17 | C16 | C15 | C27 | 52.4° | 79.9° |
| N17 | C16 | C15 | C14 | 126.4° | 100.3° |
| N17 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | N17 | S18 | 95.5° | 164.9° |
| C16 | C15 | C27 | F28 | 1.4° | 0.2° |
| C16 | C15 | C27 | C14 | 178.9° | 179.8° |
| C16 | C15 | C27 | C29 | 177.7° | 180.0° |
| C16 | C15 | C14 | C13 | 178.0° | 179.8° |
| C16 | C15 | C14 | H141 | 2.0° | 0.3° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | N17 | H171 | 25.7° | 15.1° |
| N17 | S18 | O19 | O20 | 126.8° | 116.8° |
| S18 | N17 | C16 | H161 | 24.5° | 44.9° |
| S18 | N17 | C16 | H162 | 144.6° | 75.1° |
| N17 | S18 | C21 | H211 | 47.4° | 60.5° |
| O19 | S18 | C21 | H211 | 164.7° | 172.1° |
| O19 | S18 | N17 | H171 | 50.1° | 1.4° |
| O20 | S18 | C21 | H211 | 75.0° | 51.1° |
| O20 | S18 | N17 | H171 | 76.4° | 129.3° |
| F28 | C27 | C15 | C29 | 176.3° | 179.8° |
| F28 | C27 | C15 | C14 | 177.5° | 180.0° |
| F28 | C27 | C29 | C12 | 176.0° | 179.7° |
| F28 | C27 | C29 | H291 | 4.0° | 0.3° |
| C27 | C15 | C14 | C13 | 0.8° | 0.1° |
| C15 | C27 | C29 | C12 | 0.2° | 0.5° |
| C27 | C15 | C14 | H141 | 179.2° | 179.9° |
| C27 | C15 | C16 | H161 | 172.4° | 160.1° |
| C27 | C15 | C16 | H162 | 67.6° | 40.1° |
| C15 | C27 | C29 | H291 | 179.8° | 179.9° |
| C14 | C15 | C27 | C29 | 1.2° | 0.2° |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.9° | 0.0° |
| C15 | C14 | C13 | H131 | 179.0° | 180.0° |
| C14 | C15 | C16 | H161 | 6.4° | 19.8° |
| C14 | C15 | C16 | H162 | 113.6° | 139.8° |
| C27 | C29 | C12 | H291 | 180.0° | 179.4° |
| C27 | C29 | C12 | C13 | 2.0° | 0.6° |
| C27 | C29 | C12 | C11 | 178.3° | 179.8° |
| C14 | C13 | C12 | C29 | 2.4° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 177.9° | 180.0° |
| C29 | C12 | C13 | C11 | 179.7° | 179.7° |
| C29 | C12 | C11 | C07 | 139.1° | 114.7° |
| C29 | C12 | C11 | C30 | 49.7° | 65.0° |
| C29 | C12 | C13 | H131 | 177.6° | 179.7° |
| C13 | C12 | C11 | C07 | 40.6° | 65.0° |
| C13 | C12 | C11 | C30 | 130.6° | 115.3° |
| C12 | C13 | C14 | H141 | 179.0° | 179.9° |
| C13 | C12 | C29 | H291 | 178.0° | 180.0° |
| C12 | C11 | C07 | C08 | 12.7° | 0.0° |
| C12 | C11 | C07 | C30 | 172.4° | 179.8° |
| C12 | C11 | C07 | N06 | 173.0° | 180.0° |
| C12 | C11 | C30 | C31 | 3.3° | 0.1° |
| C12 | C11 | C30 | C05 | 174.4° | 180.0° |
| C11 | C12 | C13 | H131 | 2.1° | 0.0° |
| C11 | C12 | C29 | H291 | 1.7° | 0.4° |
| O10 | C08 | C07 | O09 | 171.0° | 180.0° |
| O10 | C08 | C07 | C11 | 45.1° | 0.0° |
| O10 | C08 | C07 | N06 | 128.7° | 180.0° |
| O10 | C08 | O09 | H2 | 0.0° | 0.0° |
| C08 | C07 | C11 | N06 | 174.3° | 179.9° |
| C08 | C07 | C11 | C30 | 174.9° | 179.7° |
| C08 | C07 | N06 | C05 | 174.6° | 179.8° |
| C08 | C07 | N06 | H061 | 5.4° | 0.1° |
| C07 | C08 | O09 | H2 | 169.6° | 180.0° |
| O09 | C08 | C07 | C11 | 143.9° | 180.0° |
| O09 | C08 | C07 | N06 | 42.3° | 0.1° |
| C07 | C11 | C30 | C31 | 176.3° | 179.7° |
| C07 | C11 | C30 | C05 | 1.5° | 0.2° |
| C11 | C07 | N06 | C05 | 0.5° | 0.1° |
| C11 | C07 | N06 | H061 | 179.5° | 180.0° |
| C30 | C11 | C07 | N06 | 0.6° | 0.2° |
| C11 | C30 | C31 | C05 | 177.6° | 179.9° |
| C11 | C30 | C31 | C32 | 174.2° | 180.0° |
| C11 | C30 | C05 | N06 | 1.7° | 0.1° |
| C11 | C30 | C05 | C04 | 176.9° | 180.0° |
| C11 | C30 | C31 | H311 | 5.8° | 0.1° |
| C07 | N06 | C05 | C30 | 1.4° | 0.0° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 177.1° | 179.8° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C31 | C30 | C05 | N06 | 176.4° | 179.8° |
| C31 | C30 | C05 | C04 | 5.0° | 0.1° |
| C30 | C31 | C32 | C33 | 6.6° | 0.1° |
| C30 | C31 | C32 | H321 | 173.4° | 180.0° |
| C05 | C30 | C31 | C32 | 8.2° | 0.1° |
| C30 | C05 | N06 | C04 | 178.5° | 179.8° |
| C30 | C05 | C04 | C33 | 0.4° | 0.1° |
| C30 | C05 | C04 | C02 | 178.7° | 179.9° |
| C05 | C30 | C31 | H311 | 171.8° | 180.0° |
| C30 | C05 | N06 | H061 | 178.6° | 179.9° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C04 | 1.1° | 0.1° |
| C31 | C32 | C33 | H331 | 178.9° | 180.0° |
| N06 | C05 | C04 | C33 | 177.9° | 179.8° |
| N06 | C05 | C04 | C02 | 0.4° | 0.2° |
| C05 | C04 | C33 | C32 | 2.4° | 0.1° |
| C05 | C04 | C33 | C02 | 178.3° | 180.0° |
| C05 | C04 | C02 | C03 | 98.7° | 120.0° |
| C05 | C04 | C02 | C01 | 134.5° | 120.0° |
| C05 | C04 | C02 | H021 | 17.9° | 0.0° |
| C05 | C04 | C33 | H331 | 177.6° | 180.0° |
| C04 | C05 | N06 | H061 | 2.9° | 0.0° |
| C32 | C33 | C04 | H331 | 180.0° | 179.9° |
| C32 | C33 | C04 | C02 | 179.4° | 180.0° |
| C33 | C32 | C31 | H311 | 173.5° | 180.0° |
| C33 | C04 | C02 | C03 | 79.4° | 60.0° |
| C33 | C04 | C02 | C01 | 47.3° | 59.9° |
| C33 | C04 | C02 | H021 | 164.0° | 180.0° |
| C04 | C33 | C32 | H321 | 178.9° | 180.0° |
| C04 | C02 | C03 | C01 | 123.9° | 119.9° |
| C04 | C02 | C03 | H021 | 116.6° | 120.0° |
| C04 | C02 | C01 | H021 | 116.6° | 120.0° |
| C04 | C02 | C01 | H013 | 180.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 180.0° |
| C04 | C02 | C01 | H012 | 60.0° | 60.1° |
| C04 | C02 | C03 | H033 | 180.0° | 60.0° |
| C04 | C02 | C03 | H032 | 60.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 180.0° |
| C02 | C04 | C33 | H331 | 0.6° | 0.0° |
| C03 | C02 | C01 | H021 | 119.5° | 120.0° |
| C03 | C02 | C01 | H013 | 56.2° | 60.0° |
| C03 | C02 | C01 | H011 | 63.8° | 60.1° |
| C03 | C02 | C01 | H012 | 176.2° | 180.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C01 | C02 | C03 | H033 | 56.0° | 59.9° |
| C01 | C02 | C03 | H032 | 176.0° | 179.9° |
| C01 | C02 | C03 | H031 | 64.0° | 60.0° |
| H131 | C13 | C14 | H141 | 1.0° | 0.1° |
| H161 | C16 | N17 | H171 | 145.7° | 135.1° |
| H162 | C16 | N17 | H171 | 94.3° | 104.9° |
| H211 | C21 | C22 | H221 | 60.4° | 177.8° |
| H211 | C21 | C22 | H222 | 178.7° | 57.7° |
| H211 | C21 | C26 | H262 | 170.2° | 57.7° |
| H211 | C21 | C26 | H261 | 51.0° | 177.8° |
| H221 | C22 | C23 | H232 | 45.4° | 59.3° |
| H221 | C22 | C23 | H231 | 73.9° | 179.2° |
| H222 | C22 | C23 | H232 | 163.7° | 60.8° |
| H222 | C22 | C23 | H231 | 44.4° | 59.1° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 63.4° | 180.0° |
| H011 | C01 | C02 | H021 | 176.6° | 60.0° |
| H012 | C01 | C02 | H021 | 56.7° | 59.9° |
| H021 | C02 | C03 | H033 | 63.5° | 180.0° |
| H021 | C02 | C03 | H032 | 56.6° | 60.0° |
| H021 | C02 | C03 | H031 | 176.5° | 60.0° |
| H033 | C03 | H032 | H031 | 120.0° | 120.0° |
| H232 | C23 | N24 | H241 | 140.3° | 57.7° |
| H231 | C23 | N24 | H241 | 21.0° | 177.6° |
| H252 | C25 | C26 | H262 | 33.8° | 59.1° |
| H252 | C25 | C26 | H261 | 85.3° | 179.2° |
| H252 | C25 | N24 | H241 | 17.5° | 177.6° |
| H251 | C25 | C26 | H262 | 151.1° | 60.9° |
| H251 | C25 | C26 | H261 | 31.9° | 59.2° |
| H251 | C25 | N24 | H241 | 134.7° | 57.6° |
| H311 | C31 | C32 | H321 | 6.5° | 0.0° |
| H321 | C32 | C33 | H331 | 1.1° | 0.1° |
