KOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | sing | 1.43Å | 1.39Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O19 | sing | 1.43Å | 1.39Å | |
| C16 | C14 | sing | 1.53Å | 1.56Å | |
| N33 | N32 | doub | 1.29Å | 1.28Å | Aromatic |
| N33 | N23 | sing | 1.29Å | 1.35Å | Aromatic |
| O19 | C09 | sing | 1.43Å | 1.42Å | |
| O21 | C20 | sing | 1.43Å | 1.40Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| N32 | C25 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C22 | C02 | sing | 1.53Å | 1.56Å | |
| N23 | C24 | sing | 1.35Å | 1.37Å | Aromatic |
| C07 | C20 | sing | 1.53Å | 1.49Å | |
| C07 | S08 | sing | 1.81Å | 1.82Å | |
| C07 | O06 | sing | 1.43Å | 1.43Å | |
| C09 | S08 | sing | 1.81Å | 1.79Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| C03 | O06 | sing | 1.43Å | 1.40Å | |
| C03 | C04 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.45Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C31 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| O05 | C04 | sing | 1.43Å | 1.41Å | |
| C12 | C10 | sing | 1.53Å | 1.57Å | |
| C12 | O13 | sing | 1.43Å | 1.39Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.43Å | 1.42Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | F34 | sing | 1.35Å | 1.37Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C16 | 109.9° | 109.5° |
| O18 | C17 | H171 | 109.4° | 109.5° |
| O18 | C17 | H172 | 109.4° | 109.5° |
| C17 | O18 | H181 | 109.5° | 114.0° |
| C17 | C16 | O19 | 114.5° | 109.5° |
| C17 | C16 | C14 | 108.2° | 109.4° |
| C16 | C17 | H171 | 109.4° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.4° |
| C17 | C16 | H161 | 108.0° | 109.5° |
| O19 | C16 | C14 | 108.8° | 109.4° |
| C16 | O19 | C09 | 114.1° | 114.1° |
| O19 | C16 | H161 | 109.7° | 109.5° |
| C16 | C14 | O15 | 108.9° | 109.6° |
| C16 | C14 | C12 | 108.8° | 109.1° |
| C16 | C14 | H141 | 108.8° | 109.6° |
| C14 | C16 | H161 | 107.5° | 109.5° |
| N32 | N33 | N23 | 109.7° | 110.5° |
| N33 | N32 | C25 | 110.3° | 108.8° |
| N33 | N23 | C22 | 123.1° | 125.7° |
| N33 | N23 | C24 | 107.2° | 108.5° |
| O19 | C09 | S08 | 109.0° | 109.5° |
| O19 | C09 | C10 | 113.0° | 109.5° |
| O19 | C09 | H091 | 109.4° | 109.5° |
| O21 | C20 | C22 | 106.6° | 109.6° |
| O21 | C20 | C07 | 110.0° | 109.5° |
| O21 | C20 | H201 | 112.8° | 109.5° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| O15 | C14 | C12 | 110.3° | 109.5° |
| O15 | C14 | H141 | 111.1° | 109.6° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| N32 | C25 | C24 | 105.0° | 106.2° |
| N32 | C25 | C26 | 123.7° | 126.9° |
| C14 | C12 | C10 | 111.0° | 109.0° |
| C14 | C12 | O13 | 111.0° | 109.6° |
| C14 | C12 | H121 | 109.0° | 109.7° |
| C12 | C14 | H141 | 108.8° | 109.5° |
| N23 | C22 | C20 | 112.5° | 109.5° |
| N23 | C22 | C02 | 109.0° | 109.5° |
| C22 | N23 | C24 | 129.7° | 125.8° |
| N23 | C22 | H221 | 108.7° | 109.5° |
| C20 | C22 | C02 | 111.4° | 109.1° |
| C22 | C20 | C07 | 105.1° | 109.2° |
| C22 | C20 | H201 | 110.6° | 109.5° |
| C20 | C22 | H221 | 107.6° | 109.6° |
| C22 | C02 | C03 | 106.7° | 109.1° |
| C22 | C02 | O01 | 108.9° | 109.5° |
| C22 | C02 | H021 | 108.7° | 109.6° |
| C02 | C22 | H221 | 107.4° | 109.7° |
| N23 | C24 | C25 | 107.8° | 106.0° |
| N23 | C24 | H241 | 126.1° | 126.9° |
| C20 | C07 | S08 | 109.2° | 109.5° |
| C20 | C07 | O06 | 112.7° | 109.5° |
| C07 | C20 | H201 | 111.3° | 109.5° |
| C20 | C07 | H071 | 110.6° | 109.5° |
| S08 | C07 | O06 | 105.9° | 109.5° |
| C07 | S08 | C09 | 104.9° | 103.0° |
| S08 | C07 | H071 | 106.7° | 109.4° |
| C07 | O06 | C03 | 115.7° | 114.1° |
| O06 | C07 | H071 | 111.5° | 109.5° |
| S08 | C09 | C10 | 111.9° | 109.5° |
| S08 | C09 | H091 | 105.3° | 109.5° |
| C09 | C10 | C12 | 108.5° | 109.2° |
| C09 | C10 | O11 | 109.7° | 109.6° |
| C09 | C10 | H101 | 108.7° | 109.5° |
| C10 | C09 | H091 | 108.0° | 109.5° |
| C02 | C03 | O06 | 108.9° | 109.5° |
| C02 | C03 | C04 | 112.4° | 109.5° |
| C03 | C02 | O01 | 112.0° | 109.6° |
| C03 | C02 | H021 | 109.3° | 109.5° |
| C02 | C03 | H031 | 107.8° | 109.5° |
| O06 | C03 | C04 | 110.2° | 109.5° |
| O06 | C03 | H031 | 109.4° | 109.5° |
| C03 | C04 | O05 | 111.2° | 109.5° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C03 | C04 | H042 | 109.0° | 109.5° |
| C03 | C04 | H041 | 109.0° | 109.5° |
| C24 | C25 | C26 | 131.3° | 126.9° |
| C25 | C24 | H241 | 126.1° | 127.0° |
| C25 | C26 | C31 | 122.3° | 120.1° |
| C25 | C26 | C27 | 121.2° | 120.1° |
| O01 | C02 | H021 | 111.0° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C26 | C31 | C30 | 122.3° | 119.9° |
| C31 | C26 | C27 | 116.4° | 119.8° |
| C26 | C31 | H311 | 118.8° | 120.0° |
| C31 | C30 | C29 | 121.1° | 120.2° |
| C31 | C30 | H301 | 119.4° | 119.9° |
| C30 | C31 | H311 | 118.9° | 120.1° |
| O05 | C04 | H042 | 109.0° | 109.5° |
| O05 | C04 | H041 | 109.1° | 109.5° |
| C04 | O05 | H051 | 109.5° | 114.0° |
| C10 | C12 | O13 | 105.7° | 109.5° |
| C12 | C10 | O11 | 111.4° | 109.5° |
| C12 | C10 | H101 | 108.2° | 109.5° |
| C10 | C12 | H121 | 108.9° | 109.5° |
| O13 | C12 | H121 | 111.3° | 109.5° |
| C12 | O13 | H131 | 109.5° | 114.1° |
| C26 | C27 | C28 | 119.8° | 119.8° |
| C26 | C27 | H271 | 120.1° | 120.1° |
| O11 | C10 | H101 | 110.2° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C30 | C29 | C28 | 115.6° | 120.2° |
| C29 | C30 | H301 | 119.4° | 120.0° |
| C30 | C29 | H291 | 122.2° | 119.9° |
| C27 | C28 | C29 | 124.7° | 120.1° |
| C27 | C28 | F34 | 117.6° | 120.0° |
| C28 | C27 | H271 | 120.1° | 120.1° |
| C29 | C28 | F34 | 117.6° | 120.0° |
| C28 | C29 | H291 | 122.2° | 119.9° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H042 | C04 | H041 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C16 | H171 | 120.1° | 120.0° |
| O18 | C17 | C16 | H172 | 120.1° | 120.0° |
| O18 | C17 | C16 | O19 | 50.2° | 65.0° |
| O18 | C17 | C16 | C14 | 71.2° | 175.1° |
| O18 | C17 | H171 | H172 | 119.8° | 120.0° |
| O18 | C17 | C16 | H161 | 172.7° | 55.0° |
| C17 | C16 | O19 | C14 | 121.1° | 119.9° |
| C17 | C16 | O19 | H161 | 121.6° | 120.0° |
| C17 | C16 | C14 | H161 | 116.4° | 120.0° |
| C17 | C16 | O19 | C09 | 175.2° | 178.9° |
| C17 | C16 | C14 | O15 | 56.6° | 62.5° |
| C17 | C16 | C14 | C12 | 176.9° | 177.6° |
| C17 | C16 | C14 | H141 | 64.7° | 57.8° |
| C16 | C17 | H171 | H172 | 119.8° | 120.0° |
| C16 | C17 | O18 | H181 | 180.0° | 180.0° |
| O19 | C16 | C14 | H161 | 118.7° | 120.0° |
| O19 | C16 | C14 | O15 | 178.5° | 177.6° |
| O19 | C16 | C14 | C12 | 58.2° | 57.7° |
| C16 | O19 | C09 | S08 | 172.3° | 178.9° |
| C16 | O19 | C09 | C10 | 62.6° | 61.1° |
| O19 | C16 | C14 | H141 | 60.2° | 62.2° |
| O19 | C16 | C17 | H171 | 170.3° | 175.0° |
| O19 | C16 | C17 | H172 | 69.8° | 55.0° |
| C16 | O19 | C09 | H091 | 57.7° | 58.9° |
| C14 | C16 | O19 | C09 | 63.7° | 61.2° |
| C16 | C14 | O15 | C12 | 119.4° | 119.7° |
| C16 | C14 | O15 | H141 | 119.9° | 120.2° |
| C16 | C14 | C12 | H141 | 118.5° | 119.9° |
| C16 | C14 | C12 | C10 | 53.1° | 57.0° |
| C16 | C14 | C12 | O13 | 170.3° | 176.8° |
| C16 | C14 | C12 | H121 | 66.8° | 62.9° |
| C16 | C14 | O15 | H151 | 180.0° | 179.7° |
| C14 | C16 | C17 | H171 | 48.9° | 55.1° |
| C14 | C16 | C17 | H172 | 168.7° | 64.9° |
| N32 | N33 | N23 | C22 | 178.9° | 179.9° |
| N32 | N33 | N23 | C24 | 1.1° | 0.4° |
| N33 | N32 | C25 | C24 | 0.4° | 0.2° |
| N33 | N32 | C25 | C26 | 179.0° | 179.8° |
| N23 | N33 | N32 | C25 | 0.9° | 0.4° |
| N33 | N23 | C22 | C24 | 177.3° | 179.7° |
| N33 | N23 | C22 | C20 | 125.1° | 145.3° |
| N33 | N23 | C22 | C02 | 110.7° | 95.1° |
| N33 | N23 | C24 | C25 | 0.8° | 0.2° |
| N33 | N23 | C22 | H221 | 6.0° | 25.2° |
| N33 | N23 | C24 | H241 | 179.2° | 179.7° |
| O19 | C09 | S08 | C07 | 96.6° | 65.0° |
| O19 | C09 | S08 | C10 | 125.7° | 120.0° |
| O19 | C09 | S08 | H091 | 117.3° | 120.0° |
| O19 | C09 | C10 | H091 | 121.1° | 120.0° |
| O19 | C09 | C10 | C12 | 52.6° | 57.5° |
| O19 | C09 | C10 | O11 | 174.5° | 177.5° |
| O19 | C09 | C10 | H101 | 64.9° | 62.3° |
| C09 | O19 | C16 | H161 | 53.6° | 58.9° |
| O21 | C20 | C22 | N23 | 62.9° | 63.2° |
| O21 | C20 | C22 | C07 | 116.8° | 120.0° |
| O21 | C20 | C22 | H201 | 122.9° | 120.2° |
| O21 | C20 | C22 | C02 | 174.3° | 176.9° |
| O21 | C20 | C07 | H201 | 125.8° | 120.1° |
| O21 | C20 | C07 | S08 | 72.8° | 62.4° |
| O21 | C20 | C07 | O06 | 169.8° | 177.6° |
| O21 | C20 | C07 | H071 | 44.3° | 57.6° |
| O21 | C20 | C22 | H221 | 56.9° | 56.9° |
| O15 | C14 | C12 | H141 | 122.2° | 120.1° |
| O15 | C14 | C12 | C10 | 172.5° | 176.9° |
| O15 | C14 | C12 | O13 | 70.3° | 63.2° |
| O15 | C14 | C12 | H121 | 52.6° | 57.0° |
| O15 | C14 | C16 | H161 | 59.8° | 57.5° |
| N32 | C25 | C24 | N23 | 0.2° | 0.0° |
| N32 | C25 | C24 | C26 | 179.3° | 180.0° |
| N32 | C25 | C26 | C31 | 15.9° | 179.7° |
| N32 | C25 | C26 | C27 | 161.6° | 0.0° |
| N32 | C25 | C24 | H241 | 179.7° | 180.0° |
| C14 | C12 | C10 | C09 | 49.8° | 56.9° |
| C14 | C12 | C10 | O13 | 120.4° | 119.9° |
| C14 | C12 | C10 | H121 | 119.9° | 120.0° |
| C14 | C12 | O13 | H121 | 121.5° | 120.3° |
| C14 | C12 | C10 | O11 | 170.7° | 176.9° |
| C14 | C12 | C10 | H101 | 68.0° | 63.0° |
| C12 | C14 | O15 | H151 | 60.6° | 60.0° |
| C12 | C14 | C16 | H161 | 60.5° | 62.4° |
| C14 | C12 | O13 | H131 | 180.0° | 179.6° |
| N23 | C22 | C20 | C02 | 122.8° | 119.8° |
| N23 | C22 | C20 | H221 | 119.8° | 120.1° |
| N23 | C22 | C02 | H221 | 117.7° | 120.2° |
| N23 | C22 | C20 | C07 | 179.7° | 176.8° |
| N23 | C22 | C02 | C03 | 175.5° | 176.8° |
| C22 | N23 | C24 | C25 | 178.4° | 180.0° |
| N23 | C22 | C02 | O01 | 63.4° | 56.9° |
| N23 | C22 | C20 | H201 | 60.0° | 57.0° |
| N23 | C22 | C02 | H021 | 57.7° | 63.2° |
| C22 | N23 | C24 | H241 | 1.6° | 0.0° |
| C20 | C22 | C02 | H221 | 117.6° | 120.0° |
| C20 | C22 | N23 | C24 | 57.6° | 35.0° |
| C22 | C20 | C07 | H201 | 119.8° | 119.9° |
| C22 | C20 | C07 | S08 | 172.7° | 177.6° |
| C22 | C20 | C07 | O06 | 55.4° | 57.6° |
| C20 | C22 | C02 | C03 | 59.7° | 57.0° |
| C20 | C22 | C02 | O01 | 61.4° | 62.9° |
| C20 | C22 | C02 | H021 | 177.5° | 176.9° |
| C22 | C20 | C07 | H071 | 70.2° | 62.4° |
| C22 | C20 | O21 | H211 | 180.0° | 179.8° |
| C02 | C22 | N23 | C24 | 66.5° | 84.5° |
| C02 | C22 | C20 | C07 | 57.5° | 57.0° |
| C22 | C02 | C03 | O01 | 119.1° | 119.9° |
| C22 | C02 | C03 | H021 | 117.4° | 119.9° |
| C22 | C02 | C03 | O06 | 57.6° | 57.6° |
| C22 | C02 | C03 | C04 | 180.0° | 177.6° |
| C22 | C02 | O01 | H021 | 119.7° | 120.2° |
| C02 | C22 | C20 | H201 | 62.8° | 62.9° |
| C22 | C02 | C03 | H031 | 61.1° | 62.4° |
| C22 | C02 | O01 | H011 | 180.0° | 179.8° |
| N23 | C24 | C25 | H241 | 180.0° | 180.0° |
| N23 | C24 | C25 | C26 | 179.6° | 180.0° |
| C24 | N23 | C22 | H221 | 176.7° | 155.2° |
| C20 | C07 | S08 | O06 | 121.6° | 120.0° |
| C20 | C07 | S08 | H071 | 119.5° | 120.0° |
| C20 | C07 | O06 | H071 | 125.0° | 120.0° |
| C20 | C07 | S08 | C09 | 179.9° | 175.0° |
| C20 | C07 | O06 | C03 | 60.8° | 61.1° |
| C07 | C20 | C22 | H221 | 60.0° | 63.0° |
| C07 | C20 | O21 | H211 | 66.5° | 60.1° |
| S08 | C07 | O06 | H071 | 115.7° | 120.0° |
| C07 | S08 | C09 | C10 | 137.7° | 175.0° |
| S08 | C07 | O06 | C03 | 179.9° | 178.9° |
| S08 | C07 | C20 | H201 | 52.9° | 57.7° |
| C07 | S08 | C09 | H091 | 20.7° | 54.9° |
| O06 | C07 | S08 | C09 | 58.3° | 65.0° |
| C07 | O06 | C03 | C02 | 60.2° | 61.2° |
| C07 | O06 | C03 | C04 | 176.1° | 178.9° |
| O06 | C07 | C20 | H201 | 64.4° | 62.3° |
| C07 | O06 | C03 | H031 | 57.4° | 58.9° |
| S08 | C09 | C10 | H091 | 115.4° | 120.0° |
| S08 | C09 | C10 | C12 | 176.1° | 177.5° |
| S08 | C09 | C10 | O11 | 62.0° | 62.5° |
| S08 | C09 | C10 | H101 | 58.6° | 57.7° |
| C09 | S08 | C07 | H071 | 60.5° | 55.0° |
| C09 | C10 | C12 | O11 | 120.9° | 120.0° |
| C09 | C10 | C12 | H101 | 117.8° | 119.9° |
| C09 | C10 | C12 | O13 | 170.2° | 176.8° |
| C09 | C10 | O11 | H101 | 119.7° | 120.2° |
| C09 | C10 | C12 | H121 | 70.2° | 63.1° |
| C09 | C10 | O11 | H111 | 180.0° | 60.1° |
| C02 | C03 | O06 | C04 | 123.7° | 120.0° |
| C02 | C03 | O06 | H031 | 117.6° | 120.0° |
| C02 | C03 | C04 | H031 | 118.9° | 120.1° |
| C03 | C02 | O01 | H021 | 122.5° | 120.2° |
| C02 | C03 | C04 | O05 | 180.0° | 175.0° |
| C02 | C03 | C04 | H042 | 59.7° | 55.0° |
| C02 | C03 | C04 | H041 | 59.7° | 64.9° |
| C03 | C02 | C22 | H221 | 57.8° | 63.0° |
| C03 | C02 | O01 | H011 | 62.2° | 60.1° |
| O06 | C03 | C04 | H031 | 119.4° | 120.0° |
| O06 | C03 | C02 | O01 | 61.6° | 62.3° |
| O06 | C03 | C04 | O05 | 58.3° | 65.0° |
| O06 | C03 | C02 | H021 | 174.9° | 177.6° |
| O06 | C03 | C04 | H042 | 178.6° | 174.9° |
| O06 | C03 | C04 | H041 | 62.0° | 55.0° |
| C03 | O06 | C07 | H071 | 64.3° | 58.9° |
| C04 | C03 | C02 | O01 | 60.8° | 57.7° |
| C03 | C04 | O05 | H042 | 120.3° | 120.0° |
| C03 | C04 | O05 | H041 | 120.3° | 120.0° |
| C04 | C03 | C02 | H021 | 62.6° | 62.5° |
| C03 | C04 | H042 | H041 | 119.2° | 119.9° |
| C03 | C04 | O05 | H051 | 180.0° | 180.0° |
| C24 | C25 | C26 | C31 | 164.8° | 0.3° |
| C24 | C25 | C26 | C27 | 17.6° | 180.0° |
| C25 | C26 | C31 | C27 | 177.7° | 179.7° |
| C25 | C26 | C31 | C30 | 178.7° | 179.7° |
| C25 | C26 | C27 | C28 | 179.3° | 179.7° |
| C25 | C26 | C27 | H271 | 0.7° | 0.3° |
| C25 | C26 | C31 | H311 | 1.3° | 0.3° |
| C26 | C25 | C24 | H241 | 0.4° | 0.0° |
| O01 | C02 | C03 | H031 | 179.8° | 177.7° |
| O01 | C02 | C22 | H221 | 178.9° | 177.1° |
| C26 | C31 | C30 | H311 | 180.0° | 180.0° |
| C26 | C31 | C30 | C29 | 0.3° | 0.1° |
| C31 | C26 | C27 | C28 | 1.6° | 0.0° |
| C31 | C26 | C27 | H271 | 178.4° | 180.0° |
| C26 | C31 | C30 | H301 | 179.7° | 180.0° |
| C30 | C31 | C26 | C27 | 1.0° | 0.0° |
| C31 | C30 | C29 | H301 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C31 | C30 | C29 | H291 | 179.8° | 180.0° |
| O05 | C04 | C03 | H031 | 61.1° | 54.9° |
| O05 | C04 | H042 | H041 | 119.2° | 120.0° |
| C10 | C12 | O13 | H121 | 118.0° | 120.1° |
| C12 | C10 | O11 | H101 | 120.2° | 120.0° |
| C10 | C12 | C14 | H141 | 65.4° | 62.9° |
| C12 | C10 | C09 | H091 | 68.5° | 62.4° |
| C12 | C10 | O11 | H111 | 59.8° | 179.9° |
| C10 | C12 | O13 | H131 | 59.6° | 60.0° |
| O13 | C12 | C10 | O11 | 69.0° | 63.2° |
| O13 | C12 | C10 | H101 | 52.4° | 56.9° |
| O13 | C12 | C14 | H141 | 51.8° | 56.9° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.6° | 0.0° |
| C26 | C27 | C28 | F34 | 179.6° | 180.0° |
| C27 | C26 | C31 | H311 | 179.0° | 180.0° |
| O11 | C10 | C12 | H121 | 50.7° | 56.9° |
| O11 | C10 | C09 | H091 | 53.4° | 57.5° |
| C30 | C29 | C28 | C27 | 0.8° | 0.1° |
| C30 | C29 | C28 | H291 | 180.0° | 180.0° |
| C30 | C29 | C28 | F34 | 178.8° | 180.0° |
| C29 | C30 | C31 | H311 | 179.7° | 180.0° |
| C27 | C28 | C29 | F34 | 178.0° | 180.0° |
| C27 | C28 | C29 | H291 | 179.2° | 180.0° |
| C29 | C28 | C27 | H271 | 178.4° | 180.0° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| F34 | C28 | C27 | H271 | 0.4° | 0.0° |
| F34 | C28 | C29 | H291 | 1.2° | 0.0° |
| H101 | C10 | C12 | H121 | 172.0° | 177.0° |
| H101 | C10 | C09 | H091 | 174.0° | 177.7° |
| H101 | C10 | O11 | H111 | 60.3° | 60.0° |
| H121 | C12 | C14 | H141 | 174.7° | 177.2° |
| H121 | C12 | O13 | H131 | 58.5° | 60.1° |
| H141 | C14 | O15 | H151 | 60.1° | 60.0° |
| H141 | C14 | C16 | H161 | 178.9° | 177.8° |
| H171 | C17 | C16 | H161 | 67.2° | 65.0° |
| H171 | C17 | O18 | H181 | 59.9° | 59.9° |
| H172 | C17 | C16 | H161 | 52.7° | 175.0° |
| H172 | C17 | O18 | H181 | 59.9° | 60.1° |
| H201 | C20 | C07 | H071 | 170.0° | 177.7° |
| H201 | C20 | C22 | H221 | 179.7° | 177.1° |
| H201 | C20 | O21 | H211 | 58.5° | 60.0° |
| H301 | C30 | C31 | H311 | 0.3° | 0.1° |
| H301 | C30 | C29 | H291 | 0.2° | 0.0° |
| H021 | C02 | C03 | H031 | 56.3° | 57.6° |
| H021 | C02 | C22 | H221 | 60.0° | 56.9° |
| H021 | C02 | O01 | H011 | 60.3° | 60.0° |
| H031 | C03 | C04 | H042 | 59.2° | 65.1° |
| H031 | C03 | C04 | H041 | 178.6° | 175.0° |
| H042 | C04 | O05 | H051 | 59.7° | 60.0° |
| H041 | C04 | O05 | H051 | 59.7° | 59.9° |
