YKO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.22Å | 1.26Å | |
| C12 | N11 | sing | 1.35Å | 1.32Å | |
| C12 | C14 | sing | 1.41Å | 1.41Å | |
| F15 | C14 | sing | 1.35Å | 1.38Å | |
| N11 | C10 | sing | 1.36Å | 1.33Å | |
| C14 | C16 | doub | 1.36Å | 1.37Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | |
| C16 | C09 | sing | 1.42Å | 1.42Å | |
| C09 | C08 | sing | 1.48Å | 1.41Å | |
| O20 | C18 | doub | 1.22Å | 1.23Å | |
| C18 | C17 | sing | 1.46Å | 1.51Å | |
| C18 | O19 | sing | 1.35Å | 1.28Å | |
| C08 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.42Å | Aromatic |
| C17 | N21 | sing | 1.38Å | 1.33Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C07 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.37Å | 1.36Å | Aromatic |
| N21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| O33 | C32 | doub | 1.22Å | 1.18Å | |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.49Å | |
| C32 | O31 | sing | 1.34Å | 1.38Å | |
| C32 | N23 | sing | 1.34Å | 1.37Å | |
| O31 | C25 | sing | 1.45Å | 1.44Å | |
| C30 | C25 | sing | 1.53Å | 1.52Å | |
| C30 | C27 | sing | 1.54Å | 1.50Å | |
| N23 | C02 | sing | 1.47Å | 1.50Å | |
| N23 | C24 | sing | 1.47Å | 1.48Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.54Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C28 | N29 | sing | 1.47Å | 1.43Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 1.01Å | 1.00Å | |
| N29 | H1 | sing | 1.01Å | 1.00Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | N11 | 119.9° | 119.7° |
| O13 | C12 | C14 | 125.2° | 119.8° |
| N11 | C12 | C14 | 114.6° | 120.5° |
| C12 | N11 | C10 | 124.9° | 120.9° |
| C12 | N11 | H111 | 117.5° | 119.6° |
| C12 | C14 | F15 | 119.0° | 120.3° |
| C12 | C14 | C16 | 124.5° | 119.5° |
| F15 | C14 | C16 | 116.3° | 120.2° |
| N11 | C10 | C09 | 121.4° | 120.4° |
| N11 | C10 | H101 | 119.3° | 119.8° |
| C10 | N11 | H111 | 117.5° | 119.5° |
| C14 | C16 | C09 | 117.3° | 119.1° |
| C14 | C16 | H161 | 121.3° | 120.5° |
| C10 | C09 | C16 | 116.6° | 119.6° |
| C10 | C09 | C08 | 121.0° | 120.2° |
| C09 | C10 | H101 | 119.3° | 119.8° |
| C16 | C09 | C08 | 122.4° | 120.2° |
| C09 | C16 | H161 | 121.3° | 120.4° |
| C09 | C08 | C17 | 129.4° | 126.8° |
| C09 | C08 | C07 | 127.7° | 126.8° |
| O20 | C18 | C17 | 115.7° | 120.0° |
| O20 | C18 | O19 | 124.5° | 120.0° |
| C17 | C18 | O19 | 118.6° | 120.0° |
| C18 | C17 | C08 | 127.5° | 125.5° |
| C18 | C17 | N21 | 120.6° | 125.6° |
| C18 | O19 | H2 | 109.5° | 114.0° |
| C17 | C08 | C07 | 102.9° | 106.4° |
| C08 | C17 | N21 | 111.9° | 109.0° |
| C08 | C07 | C06 | 133.0° | 133.6° |
| C08 | C07 | C22 | 109.2° | 106.5° |
| C17 | N21 | C22 | 108.4° | 110.1° |
| C17 | N21 | H211 | 125.8° | 125.0° |
| C06 | C07 | C22 | 117.8° | 119.9° |
| C07 | C06 | C05 | 118.0° | 119.9° |
| C07 | C06 | H061 | 121.0° | 120.1° |
| C07 | C22 | N21 | 107.5° | 108.0° |
| C07 | C22 | C03 | 125.5° | 119.2° |
| C06 | C05 | C04 | 123.0° | 120.4° |
| C06 | C05 | H051 | 118.5° | 119.8° |
| C05 | C06 | H061 | 121.0° | 120.1° |
| N21 | C22 | C03 | 126.9° | 132.8° |
| C22 | N21 | H211 | 125.8° | 124.9° |
| C22 | C03 | C04 | 114.2° | 119.9° |
| C22 | C03 | C02 | 120.4° | 120.1° |
| C05 | C04 | C03 | 121.5° | 120.7° |
| C05 | C04 | H041 | 119.3° | 119.6° |
| C04 | C05 | H051 | 118.5° | 119.8° |
| O33 | C32 | O31 | 124.2° | 123.1° |
| O33 | C32 | N23 | 129.3° | 123.1° |
| C04 | C03 | C02 | 125.3° | 120.1° |
| C03 | C04 | H041 | 119.3° | 119.7° |
| C03 | C02 | N23 | 109.4° | 109.5° |
| C03 | C02 | C01 | 114.6° | 109.5° |
| C03 | C02 | H021 | 108.3° | 109.5° |
| O31 | C32 | N23 | 106.5° | 113.8° |
| C32 | O31 | C25 | 111.3° | 109.0° |
| C32 | N23 | C02 | 119.3° | 125.6° |
| C32 | N23 | C24 | 110.9° | 108.9° |
| O31 | C25 | C30 | 110.8° | 116.2° |
| O31 | C25 | C24 | 105.1° | 105.0° |
| O31 | C25 | C26 | 115.9° | 116.2° |
| C25 | C30 | C27 | 89.9° | 86.8° |
| C30 | C25 | C24 | 120.3° | 115.6° |
| C30 | C25 | C26 | 90.1° | 88.0° |
| C25 | C30 | H302 | 114.1° | 113.6° |
| C25 | C30 | H301 | 114.1° | 113.7° |
| C30 | C27 | C26 | 89.2° | 87.3° |
| C30 | C27 | C28 | 113.3° | 113.6° |
| C30 | C27 | H271 | 111.0° | 113.7° |
| C27 | C30 | H302 | 114.1° | 113.6° |
| C27 | C30 | H301 | 114.1° | 113.8° |
| C02 | N23 | C24 | 125.9° | 125.6° |
| N23 | C02 | C01 | 108.1° | 109.4° |
| N23 | C02 | H021 | 108.2° | 109.4° |
| N23 | C24 | C25 | 101.9° | 103.3° |
| N23 | C24 | H241 | 111.3° | 110.7° |
| N23 | C24 | H242 | 111.3° | 110.8° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.0° | 109.5° |
| C24 | C25 | C26 | 114.8° | 115.8° |
| C25 | C24 | H241 | 111.3° | 110.6° |
| C25 | C24 | H242 | 111.3° | 110.6° |
| C25 | C26 | C27 | 89.6° | 86.9° |
| C25 | C26 | H262 | 114.2° | 113.6° |
| C25 | C26 | H261 | 114.2° | 113.6° |
| C26 | C27 | C28 | 119.7° | 113.6° |
| C27 | C26 | H262 | 114.2° | 113.7° |
| C27 | C26 | H261 | 114.2° | 113.7° |
| C26 | C27 | H271 | 110.5° | 113.6° |
| C27 | C28 | N29 | 108.9° | 109.5° |
| C28 | C27 | H271 | 111.2° | 112.8° |
| C27 | C28 | H281 | 109.6° | 109.4° |
| C27 | C28 | H282 | 109.6° | 109.4° |
| N29 | C28 | H281 | 109.6° | 109.5° |
| N29 | C28 | H282 | 109.6° | 109.5° |
| C28 | N29 | H291 | 109.5° | 111.0° |
| C28 | N29 | H1 | 109.5° | 111.0° |
| H262 | C26 | H261 | 109.5° | 112.9° |
| H241 | C24 | H242 | 109.5° | 110.6° |
| H302 | C30 | H301 | 109.4° | 112.9° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.6° |
| H291 | N29 | H1 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | N11 | C14 | 174.3° | 179.8° |
| O13 | C12 | C14 | F15 | 4.7° | 0.3° |
| O13 | C12 | N11 | C10 | 176.7° | 179.8° |
| O13 | C12 | C14 | C16 | 178.6° | 179.8° |
| O13 | C12 | N11 | H111 | 3.3° | 0.3° |
| N11 | C12 | C14 | F15 | 178.6° | 180.0° |
| C12 | N11 | C10 | H111 | 180.0° | 179.9° |
| N11 | C12 | C14 | C16 | 4.7° | 0.0° |
| C12 | N11 | C10 | C09 | 8.6° | 0.0° |
| C12 | N11 | C10 | H101 | 171.4° | 180.0° |
| C12 | C14 | F15 | C16 | 177.0° | 180.0° |
| C14 | C12 | N11 | C10 | 9.1° | 0.0° |
| C12 | C14 | C16 | C09 | 0.1° | 0.0° |
| C12 | C14 | C16 | H161 | 179.9° | 180.0° |
| C14 | C12 | N11 | H111 | 170.9° | 179.9° |
| F15 | C14 | C16 | C09 | 176.7° | 180.0° |
| F15 | C14 | C16 | H161 | 3.3° | 0.1° |
| N11 | C10 | C09 | H101 | 180.0° | 180.0° |
| N11 | C10 | C09 | C16 | 2.9° | 0.0° |
| N11 | C10 | C09 | C08 | 177.9° | 180.0° |
| C14 | C16 | C09 | C10 | 1.0° | 0.1° |
| C14 | C16 | C09 | H161 | 180.0° | 179.9° |
| C14 | C16 | C09 | C08 | 178.2° | 180.0° |
| C10 | C09 | C16 | C08 | 179.2° | 179.9° |
| C10 | C09 | C08 | C17 | 135.4° | 90.0° |
| C10 | C09 | C08 | C07 | 44.3° | 90.0° |
| C10 | C09 | C16 | H161 | 179.0° | 180.0° |
| C09 | C10 | N11 | H111 | 171.4° | 180.0° |
| C16 | C09 | C08 | C17 | 45.4° | 89.9° |
| C16 | C09 | C08 | C07 | 134.9° | 90.1° |
| C16 | C09 | C10 | H101 | 177.1° | 179.9° |
| C09 | C08 | C17 | C18 | 2.9° | 0.1° |
| C09 | C08 | C17 | C07 | 179.8° | 180.0° |
| C09 | C08 | C17 | N21 | 178.5° | 180.0° |
| C09 | C08 | C07 | C06 | 1.0° | 0.0° |
| C09 | C08 | C07 | C22 | 179.2° | 179.8° |
| C08 | C09 | C10 | H101 | 2.1° | 0.0° |
| C08 | C09 | C16 | H161 | 1.8° | 0.1° |
| O20 | C18 | C17 | O19 | 167.9° | 180.0° |
| O20 | C18 | C17 | C08 | 37.7° | 0.0° |
| O20 | C18 | C17 | N21 | 140.7° | 180.0° |
| O20 | C18 | O19 | H2 | 0.0° | 0.0° |
| C18 | C17 | C08 | N21 | 178.5° | 180.0° |
| C18 | C17 | C08 | C07 | 176.8° | 180.0° |
| C18 | C17 | N21 | C22 | 175.3° | 179.7° |
| C18 | C17 | N21 | H211 | 4.7° | 0.0° |
| C17 | C18 | O19 | H2 | 166.8° | 180.0° |
| O19 | C18 | C17 | C08 | 154.4° | 180.0° |
| O19 | C18 | C17 | N21 | 27.2° | 0.0° |
| C17 | C08 | C07 | C06 | 179.2° | 180.0° |
| C17 | C08 | C07 | C22 | 0.6° | 0.2° |
| C08 | C17 | N21 | C22 | 3.4° | 0.2° |
| C08 | C17 | N21 | H211 | 176.7° | 180.0° |
| C07 | C08 | C17 | N21 | 1.7° | 0.0° |
| C08 | C07 | C06 | C22 | 179.8° | 179.8° |
| C08 | C07 | C06 | C05 | 178.6° | 180.0° |
| C08 | C07 | C22 | N21 | 2.6° | 0.4° |
| C08 | C07 | C22 | C03 | 179.9° | 179.7° |
| C08 | C07 | C06 | H061 | 1.4° | 0.0° |
| C17 | N21 | C22 | C07 | 3.6° | 0.4° |
| C17 | N21 | C22 | H211 | 180.0° | 179.7° |
| C17 | N21 | C22 | C03 | 179.1° | 179.6° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C22 | N21 | 177.3° | 179.8° |
| C06 | C07 | C22 | C03 | 0.1° | 0.5° |
| C07 | C06 | C05 | C04 | 1.7° | 0.0° |
| C07 | C06 | C05 | H051 | 178.3° | 180.0° |
| C22 | C07 | C06 | C05 | 1.6° | 0.2° |
| C07 | C22 | N21 | C03 | 177.3° | 179.2° |
| C07 | C22 | C03 | C04 | 1.4° | 0.4° |
| C07 | C22 | C03 | C02 | 179.6° | 179.8° |
| C22 | C07 | C06 | H061 | 178.4° | 179.8° |
| C07 | C22 | N21 | H211 | 176.4° | 179.9° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| N21 | C22 | C03 | C04 | 178.3° | 179.6° |
| N21 | C22 | C03 | C02 | 2.8° | 0.6° |
| C22 | C03 | C04 | C05 | 1.4° | 0.2° |
| C22 | C03 | C04 | C02 | 178.9° | 179.8° |
| C22 | C03 | C02 | N23 | 95.4° | 75.7° |
| C22 | C03 | C02 | C01 | 142.9° | 164.3° |
| C22 | C03 | C02 | H021 | 22.3° | 44.2° |
| C22 | C03 | C04 | H041 | 178.6° | 179.8° |
| C03 | C22 | N21 | H211 | 0.9° | 0.6° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 178.3° | 180.0° |
| O33 | C32 | O31 | N23 | 178.7° | 180.0° |
| O33 | C32 | O31 | C25 | 176.0° | 179.9° |
| O33 | C32 | N23 | C02 | 11.1° | 0.1° |
| O33 | C32 | N23 | C24 | 170.3° | 180.0° |
| C04 | C03 | C02 | N23 | 83.4° | 104.1° |
| C04 | C03 | C02 | C01 | 38.3° | 15.9° |
| C04 | C03 | C02 | H021 | 158.9° | 135.9° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C03 | C02 | N23 | C32 | 80.2° | 58.2° |
| C03 | C02 | N23 | C01 | 125.5° | 120.0° |
| C03 | C02 | N23 | H021 | 117.8° | 120.0° |
| C03 | C02 | N23 | C24 | 75.7° | 121.8° |
| C03 | C02 | C01 | H021 | 120.8° | 120.1° |
| C03 | C02 | C01 | H013 | 180.0° | 60.1° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H011 | 60.0° | 59.9° |
| C02 | C03 | C04 | H041 | 0.3° | 0.0° |
| C32 | O31 | C25 | C30 | 146.5° | 129.2° |
| O31 | C32 | N23 | C02 | 170.3° | 180.0° |
| O31 | C32 | N23 | C24 | 11.0° | 0.0° |
| C32 | O31 | C25 | C24 | 15.1° | 0.0° |
| C32 | O31 | C25 | C26 | 112.8° | 129.4° |
| N23 | C32 | O31 | C25 | 2.7° | 0.0° |
| C32 | N23 | C02 | C24 | 155.9° | 180.0° |
| C32 | N23 | C02 | C01 | 154.3° | 61.8° |
| C32 | N23 | C24 | C25 | 19.6° | 0.0° |
| C32 | N23 | C24 | H241 | 99.1° | 118.4° |
| C32 | N23 | C24 | H242 | 138.4° | 118.5° |
| C32 | N23 | C02 | H021 | 37.6° | 178.2° |
| O31 | C25 | C30 | C24 | 123.0° | 123.8° |
| O31 | C25 | C30 | C26 | 117.9° | 118.4° |
| O31 | C25 | C30 | C27 | 109.4° | 93.6° |
| O31 | C25 | C24 | N23 | 19.9° | 0.0° |
| O31 | C25 | C24 | C26 | 128.5° | 129.6° |
| O31 | C25 | C26 | C27 | 104.9° | 93.6° |
| O31 | C25 | C26 | H262 | 138.6° | 21.0° |
| O31 | C25 | C26 | H261 | 11.6° | 151.9° |
| O31 | C25 | C24 | H241 | 98.9° | 118.5° |
| O31 | C25 | C24 | H242 | 138.6° | 118.6° |
| O31 | C25 | C30 | H302 | 7.2° | 152.0° |
| O31 | C25 | C30 | H301 | 134.1° | 21.0° |
| C25 | C30 | C27 | H302 | 116.6° | 114.4° |
| C25 | C30 | C27 | H301 | 116.5° | 114.5° |
| C30 | C25 | C24 | N23 | 145.5° | 129.5° |
| C30 | C25 | C24 | C26 | 105.8° | 100.9° |
| C25 | C30 | C27 | C26 | 8.3° | 24.6° |
| C25 | C30 | C27 | C28 | 130.6° | 139.2° |
| C30 | C25 | C26 | H262 | 108.1° | 139.4° |
| C30 | C25 | C26 | H261 | 124.9° | 89.7° |
| C25 | C30 | C27 | H271 | 103.4° | 90.0° |
| C30 | C25 | C24 | H241 | 26.8° | 112.0° |
| C30 | C25 | C24 | H242 | 95.7° | 10.9° |
| C25 | C30 | H302 | H301 | 129.3° | 131.4° |
| C27 | C30 | C25 | C24 | 127.7° | 142.6° |
| C30 | C27 | C26 | C28 | 116.6° | 114.6° |
| C30 | C27 | C26 | H271 | 112.2° | 114.7° |
| C30 | C27 | C28 | H271 | 125.9° | 131.1° |
| C30 | C27 | C28 | N29 | 160.9° | 87.3° |
| C30 | C27 | C26 | H262 | 108.0° | 139.2° |
| C30 | C27 | C26 | H261 | 125.0° | 89.8° |
| C27 | C30 | H302 | H301 | 129.3° | 131.5° |
| C30 | C27 | C28 | H281 | 41.0° | 32.7° |
| C30 | C27 | C28 | H282 | 79.2° | 152.8° |
| N23 | C02 | C01 | H021 | 116.9° | 120.0° |
| C02 | N23 | C24 | C25 | 177.3° | 180.0° |
| C02 | N23 | C24 | H241 | 58.5° | 61.6° |
| C02 | N23 | C24 | H242 | 64.0° | 61.5° |
| N23 | C02 | C01 | H013 | 57.6° | 180.0° |
| N23 | C02 | C01 | H012 | 62.4° | 60.0° |
| N23 | C02 | C01 | H011 | 177.6° | 60.0° |
| C24 | N23 | C02 | C01 | 49.8° | 118.2° |
| N23 | C24 | C25 | H241 | 118.7° | 118.5° |
| N23 | C24 | C25 | H242 | 118.8° | 118.6° |
| N23 | C24 | C25 | C26 | 108.7° | 129.6° |
| N23 | C24 | H241 | H242 | 123.5° | 123.2° |
| C24 | N23 | C02 | H021 | 166.5° | 1.8° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C24 | C25 | C26 | C27 | 132.2° | 142.5° |
| C24 | C25 | C26 | H262 | 15.8° | 103.0° |
| C24 | C25 | C26 | H261 | 111.3° | 27.9° |
| C25 | C24 | H241 | H242 | 123.5° | 122.9° |
| C24 | C25 | C30 | H302 | 115.8° | 28.2° |
| C24 | C25 | C30 | H301 | 11.1° | 102.8° |
| C25 | C26 | C27 | H262 | 116.5° | 114.5° |
| C25 | C26 | C27 | H261 | 116.5° | 114.5° |
| C25 | C26 | C27 | C28 | 125.1° | 139.2° |
| C25 | C26 | H262 | H261 | 129.4° | 131.2° |
| C25 | C26 | C27 | H271 | 103.8° | 90.0° |
| C26 | C25 | C24 | H241 | 132.6° | 11.1° |
| C26 | C25 | C24 | H242 | 10.1° | 111.8° |
| C26 | C25 | C30 | H302 | 125.1° | 89.6° |
| C26 | C25 | C30 | H301 | 108.0° | 139.4° |
| C26 | C27 | C28 | H271 | 130.9° | 131.1° |
| C26 | C27 | C28 | N29 | 95.9° | 175.0° |
| C27 | C26 | H262 | H261 | 129.5° | 131.4° |
| C26 | C27 | C30 | H302 | 124.9° | 89.8° |
| C26 | C27 | C30 | H301 | 108.2° | 139.1° |
| C26 | C27 | C28 | H281 | 144.2° | 65.0° |
| C26 | C27 | C28 | H282 | 24.0° | 55.0° |
| C27 | C28 | N29 | H281 | 119.9° | 120.0° |
| C27 | C28 | N29 | H282 | 119.9° | 119.9° |
| C28 | C27 | C26 | H262 | 8.6° | 106.2° |
| C28 | C27 | C26 | H261 | 118.5° | 24.8° |
| C28 | C27 | C30 | H302 | 112.9° | 24.8° |
| C28 | C27 | C30 | H301 | 14.0° | 106.3° |
| C27 | C28 | H281 | H282 | 120.3° | 120.0° |
| C27 | C28 | N29 | H291 | 180.0° | 180.0° |
| C27 | C28 | N29 | H1 | 60.0° | 56.0° |
| N29 | C28 | C27 | H271 | 35.0° | 43.9° |
| N29 | C28 | H281 | H282 | 120.2° | 120.1° |
| C28 | N29 | H291 | H1 | 120.0° | 123.9° |
| H262 | C26 | C27 | H271 | 139.8° | 24.5° |
| H261 | C26 | C27 | H271 | 12.7° | 155.5° |
| H271 | C27 | C30 | H302 | 13.1° | 155.5° |
| H271 | C27 | C30 | H301 | 140.0° | 24.5° |
| H271 | C27 | C28 | H281 | 84.9° | 163.8° |
| H271 | C27 | C28 | H282 | 154.9° | 76.1° |
| H101 | C10 | N11 | H111 | 8.6° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 59.2° | 60.0° |
| H012 | C01 | C02 | H021 | 179.3° | 59.9° |
| H011 | C01 | C02 | H021 | 60.8° | 180.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 1.7° | 0.0° |
| H281 | C28 | N29 | H291 | 60.1° | 60.1° |
| H281 | C28 | N29 | H1 | 179.9° | 176.0° |
| H282 | C28 | N29 | H291 | 60.0° | 60.0° |
| H282 | C28 | N29 | H1 | 59.9° | 63.9° |
