XBJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.37Å | 1.54Å | Aromatic |
| C01 | C10 | sing | 1.40Å | 1.56Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.51Å | Aromatic |
| C02 | O31 | sing | 1.36Å | 1.38Å | |
| C03 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C03 | O29 | sing | 1.36Å | 1.39Å | |
| C04 | C05 | sing | 1.40Å | 1.54Å | Aromatic |
| C05 | N06 | sing | 1.34Å | 1.43Å | Aromatic |
| C05 | C10 | doub | 1.42Å | 1.47Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.44Å | Aromatic |
| C07 | N08 | sing | 1.33Å | 1.46Å | Aromatic |
| C07 | C21 | sing | 1.48Å | 1.48Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.42Å | 1.48Å | Aromatic |
| C09 | N11 | sing | 1.38Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.54Å | 1.48Å | |
| C12 | C16 | sing | 1.54Å | 1.49Å | |
| C13 | C14 | sing | 1.54Å | 1.50Å | |
| C13 | C17 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.49Å | 1.49Å | |
| N15 | C16 | sing | 1.49Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | O20 | sing | 1.43Å | 1.38Å | |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.53Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.48Å | Aromatic |
| C22 | O28 | sing | 1.36Å | 1.38Å | |
| C23 | C24 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.52Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | F27 | sing | 1.35Å | 1.32Å | |
| O29 | C30 | sing | 1.43Å | 1.40Å | |
| O31 | C32 | sing | 1.43Å | 1.40Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 1.01Å | 1.00Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C10 | 118.9° | 119.7° |
| C01 | C02 | C03 | 119.9° | 120.8° |
| C01 | C02 | O31 | 119.6° | 119.6° |
| C02 | C01 | H01 | 120.6° | 120.2° |
| C01 | C10 | C05 | 119.9° | 119.9° |
| C01 | C10 | C09 | 122.8° | 121.8° |
| C10 | C01 | H01 | 120.6° | 120.1° |
| C03 | C02 | O31 | 120.4° | 119.6° |
| C02 | C03 | C04 | 120.4° | 120.6° |
| C02 | C03 | O29 | 123.5° | 119.7° |
| C02 | O31 | C32 | 118.5° | 117.0° |
| C04 | C03 | O29 | 116.1° | 119.7° |
| C03 | C04 | C05 | 119.4° | 119.6° |
| C03 | C04 | H04 | 120.3° | 120.2° |
| C03 | O29 | C30 | 116.7° | 117.0° |
| C04 | C05 | N06 | 117.0° | 121.8° |
| C04 | C05 | C10 | 121.6° | 119.4° |
| C05 | C04 | H04 | 120.3° | 120.2° |
| N06 | C05 | C10 | 121.4° | 118.8° |
| C05 | N06 | C07 | 118.9° | 120.4° |
| C05 | C10 | C09 | 117.3° | 118.3° |
| N06 | C07 | N08 | 120.5° | 122.7° |
| N06 | C07 | C21 | 122.8° | 118.6° |
| N08 | C07 | C21 | 116.2° | 118.7° |
| C07 | N08 | C09 | 120.3° | 121.4° |
| C07 | C21 | C22 | 119.5° | 120.2° |
| C07 | C21 | C26 | 117.9° | 120.1° |
| N08 | C09 | C10 | 121.3° | 118.4° |
| N08 | C09 | N11 | 109.3° | 120.8° |
| C10 | C09 | N11 | 129.3° | 120.8° |
| C09 | N11 | C12 | 144.9° | 120.0° |
| C09 | N11 | H11 | 99.0° | 120.0° |
| N11 | C12 | C13 | 122.7° | 110.3° |
| N11 | C12 | C16 | 112.9° | 110.3° |
| C12 | N11 | H11 | 99.0° | 120.0° |
| N11 | C12 | H12 | 95.7° | 110.3° |
| C13 | C12 | C16 | 108.4° | 105.1° |
| C12 | C13 | C14 | 104.8° | 105.1° |
| C12 | C13 | C17 | 111.8° | 110.3° |
| C13 | C12 | H12 | 101.6° | 110.3° |
| C12 | C13 | H13 | 114.6° | 110.4° |
| C12 | C16 | N15 | 103.1° | 104.6° |
| C16 | C12 | H12 | 114.4° | 110.4° |
| C12 | C16 | H161 | 111.7° | 110.4° |
| C12 | C16 | H162 | 113.0° | 110.4° |
| C14 | C13 | C17 | 118.2° | 110.3° |
| C13 | C14 | N15 | 106.8° | 104.5° |
| C14 | C13 | H13 | 107.7° | 110.3° |
| C13 | C14 | H141 | 110.4° | 110.4° |
| C13 | C14 | H142 | 111.0° | 110.5° |
| C13 | C17 | C18 | 110.9° | 109.5° |
| C13 | C17 | C19 | 107.1° | 109.5° |
| C13 | C17 | O20 | 109.5° | 109.5° |
| C17 | C13 | H13 | 100.0° | 110.3° |
| C14 | N15 | C16 | 104.1° | 104.2° |
| N15 | C14 | H141 | 110.4° | 110.4° |
| N15 | C14 | H142 | 111.0° | 110.4° |
| C14 | N15 | H15 | 111.3° | 111.0° |
| N15 | C16 | H161 | 111.7° | 110.4° |
| N15 | C16 | H162 | 113.0° | 110.4° |
| C16 | N15 | H15 | 111.3° | 111.0° |
| C18 | C17 | C19 | 110.4° | 109.5° |
| C18 | C17 | O20 | 110.4° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.4° | 109.5° |
| C19 | C17 | O20 | 108.6° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | O20 | H20 | 109.5° | 114.0° |
| C22 | C21 | C26 | 122.4° | 119.7° |
| C21 | C22 | C23 | 119.2° | 119.8° |
| C21 | C22 | O28 | 118.4° | 120.1° |
| C21 | C26 | C25 | 118.4° | 119.9° |
| C21 | C26 | H26 | 120.8° | 120.1° |
| C23 | C22 | O28 | 122.4° | 120.1° |
| C22 | C23 | C24 | 119.2° | 120.1° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | O28 | H28 | 109.5° | 114.0° |
| C23 | C24 | C25 | 120.6° | 120.3° |
| C24 | C23 | H23 | 120.4° | 119.9° |
| C23 | C24 | H24 | 119.7° | 119.9° |
| C24 | C25 | C26 | 120.3° | 120.2° |
| C24 | C25 | F27 | 120.9° | 119.9° |
| C25 | C24 | H24 | 119.7° | 119.8° |
| C26 | C25 | F27 | 118.8° | 119.9° |
| C25 | C26 | H26 | 120.8° | 120.0° |
| O29 | C30 | H301 | 109.5° | 109.4° |
| O29 | C30 | H302 | 109.5° | 109.5° |
| O29 | C30 | H303 | 109.5° | 109.5° |
| O31 | C32 | H321 | 109.5° | 109.5° |
| O31 | C32 | H322 | 109.5° | 109.5° |
| O31 | C32 | H323 | 109.5° | 109.4° |
| H161 | C16 | H162 | 104.7° | 110.4° |
| H141 | C14 | H142 | 107.4° | 110.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.4° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C10 | H01 | 180.0° | 179.6° |
| C01 | C02 | C03 | O31 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | O29 | 179.9° | 180.0° |
| C02 | C01 | C10 | C05 | 0.3° | 0.1° |
| C02 | C01 | C10 | C09 | 180.0° | 180.0° |
| C01 | C02 | O31 | C32 | 0.4° | 0.0° |
| C10 | C01 | C02 | C03 | 0.3° | 0.0° |
| C10 | C01 | C02 | O31 | 179.9° | 180.0° |
| C01 | C10 | C05 | C04 | 0.4° | 0.1° |
| C01 | C10 | C05 | N06 | 179.7° | 180.0° |
| C01 | C10 | C05 | C09 | 179.8° | 179.9° |
| C01 | C10 | C09 | N08 | 179.3° | 180.0° |
| C01 | C10 | C09 | N11 | 3.6° | 0.0° |
| C02 | C03 | C04 | O29 | 179.6° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C02 | C03 | O29 | C30 | 161.1° | 180.0° |
| C03 | C02 | O31 | C32 | 179.3° | 180.0° |
| C03 | C02 | C01 | H01 | 179.8° | 179.7° |
| C02 | C03 | C04 | H04 | 179.5° | 179.9° |
| O31 | C02 | C03 | C04 | 180.0° | 180.0° |
| O31 | C02 | C03 | O29 | 0.4° | 0.0° |
| O31 | C02 | C01 | H01 | 0.1° | 0.3° |
| C02 | O31 | C32 | H321 | 11.7° | 60.0° |
| C02 | O31 | C32 | H322 | 131.7° | 60.0° |
| C02 | O31 | C32 | H323 | 108.3° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | N06 | 179.8° | 180.0° |
| C03 | C04 | C05 | C10 | 0.5° | 0.0° |
| C04 | C03 | O29 | C30 | 18.4° | 0.0° |
| O29 | C03 | C04 | C05 | 179.9° | 180.0° |
| O29 | C03 | C04 | H04 | 0.1° | 0.0° |
| C03 | O29 | C30 | H301 | 157.9° | 60.0° |
| C03 | O29 | C30 | H302 | 82.1° | 59.9° |
| C03 | O29 | C30 | H303 | 38.0° | 180.0° |
| C04 | C05 | N06 | C10 | 179.4° | 180.0° |
| C04 | C05 | N06 | C07 | 178.1° | 180.0° |
| C04 | C05 | C10 | C09 | 179.8° | 180.0° |
| C05 | N06 | C07 | N08 | 5.0° | 0.0° |
| C05 | N06 | C07 | C21 | 176.9° | 180.0° |
| N06 | C05 | C10 | C09 | 0.5° | 0.0° |
| N06 | C05 | C04 | H04 | 0.1° | 0.0° |
| C10 | C05 | N06 | C07 | 2.6° | 0.0° |
| C05 | C10 | C09 | N08 | 1.0° | 0.0° |
| C05 | C10 | C09 | N11 | 176.7° | 179.9° |
| C05 | C10 | C01 | H01 | 179.8° | 179.7° |
| C10 | C05 | C04 | H04 | 179.5° | 180.0° |
| N06 | C07 | N08 | C21 | 172.4° | 180.0° |
| N06 | C07 | N08 | C09 | 5.5° | 0.0° |
| N06 | C07 | C21 | C22 | 4.0° | 0.0° |
| N06 | C07 | C21 | C26 | 178.3° | 179.7° |
| C07 | N08 | C09 | C10 | 3.4° | 0.0° |
| C07 | N08 | C09 | N11 | 179.9° | 179.9° |
| N08 | C07 | C21 | C22 | 168.2° | 180.0° |
| N08 | C07 | C21 | C26 | 6.0° | 0.3° |
| C21 | C07 | N08 | C09 | 178.0° | 180.0° |
| C07 | C21 | C22 | C26 | 174.0° | 179.8° |
| C07 | C21 | C22 | C23 | 175.3° | 180.0° |
| C07 | C21 | C22 | O28 | 5.2° | 0.0° |
| C07 | C21 | C26 | C25 | 175.5° | 179.7° |
| C07 | C21 | C26 | H26 | 4.5° | 0.0° |
| N08 | C09 | C10 | N11 | 175.7° | 180.0° |
| N08 | C09 | N11 | C12 | 15.0° | 0.0° |
| N08 | C09 | N11 | H11 | 104.9° | 180.0° |
| C10 | C09 | N11 | C12 | 161.1° | 180.0° |
| C09 | C10 | C01 | H01 | 0.0° | 0.3° |
| C10 | C09 | N11 | H11 | 78.9° | 0.0° |
| C09 | N11 | C12 | H11 | 120.0° | 180.0° |
| C09 | N11 | C12 | C13 | 179.3° | 155.0° |
| C09 | N11 | C12 | C16 | 46.5° | 89.4° |
| C09 | N11 | C12 | H12 | 73.0° | 32.9° |
| N11 | C12 | C13 | C16 | 134.5° | 118.9° |
| N11 | C12 | C13 | H12 | 104.6° | 122.1° |
| N11 | C12 | C16 | H12 | 108.1° | 122.2° |
| N11 | C12 | C13 | C14 | 144.2° | 118.9° |
| N11 | C12 | C13 | C17 | 86.6° | 122.2° |
| N11 | C12 | C16 | N15 | 167.9° | 95.1° |
| N11 | C12 | C13 | H13 | 26.4° | 0.0° |
| N11 | C12 | C16 | H161 | 47.9° | 23.8° |
| N11 | C12 | C16 | H162 | 69.8° | 146.2° |
| C13 | C12 | C16 | H12 | 112.6° | 118.9° |
| C12 | C13 | C14 | C17 | 125.3° | 118.9° |
| C12 | C13 | C14 | H13 | 122.4° | 118.9° |
| C12 | C13 | C17 | H13 | 121.8° | 122.2° |
| C12 | C13 | C14 | N15 | 13.1° | 23.8° |
| C13 | C12 | C16 | N15 | 28.5° | 23.8° |
| C12 | C13 | C17 | C18 | 177.4° | 175.0° |
| C12 | C13 | C17 | C19 | 57.0° | 55.0° |
| C12 | C13 | C17 | O20 | 60.5° | 65.0° |
| C13 | C12 | N11 | H11 | 60.7° | 25.0° |
| C13 | C12 | C16 | H161 | 91.5° | 142.7° |
| C13 | C12 | C16 | H162 | 150.9° | 94.9° |
| C12 | C13 | C14 | H141 | 133.1° | 94.9° |
| C12 | C13 | C14 | H142 | 108.0° | 142.6° |
| C16 | C12 | C13 | C14 | 9.7° | 0.0° |
| C16 | C12 | C13 | C17 | 138.9° | 118.9° |
| C12 | C16 | N15 | C14 | 35.8° | 39.5° |
| C12 | C16 | N15 | H161 | 120.0° | 118.8° |
| C12 | C16 | N15 | H162 | 122.3° | 118.8° |
| C16 | C12 | N11 | H11 | 166.5° | 90.6° |
| C16 | C12 | C13 | H13 | 108.1° | 118.9° |
| C12 | C16 | H161 | H162 | 122.6° | 122.4° |
| C12 | C16 | N15 | H15 | 84.2° | 159.0° |
| C14 | C13 | C17 | H13 | 116.4° | 122.1° |
| C13 | C14 | N15 | H141 | 120.0° | 118.7° |
| C13 | C14 | N15 | H142 | 121.1° | 118.8° |
| C13 | C14 | N15 | C16 | 30.8° | 39.5° |
| C14 | C13 | C17 | C18 | 55.6° | 59.3° |
| C14 | C13 | C17 | C19 | 64.8° | 60.7° |
| C14 | C13 | C17 | O20 | 177.6° | 179.3° |
| C14 | C13 | C12 | H12 | 111.2° | 119.0° |
| C13 | C14 | H141 | H142 | 121.1° | 122.5° |
| C13 | C14 | N15 | H15 | 89.2° | 159.0° |
| C17 | C13 | C14 | N15 | 112.2° | 142.8° |
| C13 | C17 | C18 | C19 | 118.5° | 120.0° |
| C13 | C17 | C18 | O20 | 121.5° | 120.0° |
| C13 | C17 | C19 | O20 | 118.1° | 120.0° |
| C17 | C13 | C12 | H12 | 18.1° | 0.1° |
| C17 | C13 | C14 | H141 | 7.8° | 24.0° |
| C17 | C13 | C14 | H142 | 126.7° | 98.5° |
| C13 | C17 | C18 | H181 | 115.9° | 60.0° |
| C13 | C17 | C18 | H182 | 124.1° | 180.0° |
| C13 | C17 | C18 | H183 | 4.1° | 60.0° |
| C13 | C17 | C19 | H191 | 46.4° | 60.0° |
| C13 | C17 | C19 | H192 | 166.4° | 180.0° |
| C13 | C17 | C19 | H193 | 73.6° | 60.0° |
| C13 | C17 | O20 | H20 | 2.4° | 60.0° |
| C14 | N15 | C16 | H15 | 120.0° | 119.6° |
| N15 | C14 | C13 | H13 | 135.5° | 95.1° |
| C14 | N15 | C16 | H161 | 84.2° | 158.3° |
| C14 | N15 | C16 | H162 | 158.1° | 79.3° |
| N15 | C14 | H141 | H142 | 121.1° | 122.4° |
| N15 | C16 | C12 | H12 | 84.1° | 142.8° |
| N15 | C16 | H161 | H162 | 122.6° | 122.4° |
| C16 | N15 | C14 | H141 | 150.8° | 79.3° |
| C16 | N15 | C14 | H142 | 90.3° | 158.3° |
| C18 | C17 | C19 | O20 | 121.1° | 120.0° |
| C18 | C17 | C13 | H13 | 60.8° | 62.8° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 167.2° | 180.0° |
| C18 | C17 | C19 | H192 | 72.8° | 60.0° |
| C18 | C17 | C19 | H193 | 47.2° | 60.0° |
| C18 | C17 | O20 | H20 | 119.9° | 180.0° |
| C19 | C17 | C13 | H13 | 178.7° | 177.2° |
| C19 | C17 | C18 | H181 | 2.6° | 60.0° |
| C19 | C17 | C18 | H182 | 117.4° | 60.0° |
| C19 | C17 | C18 | H183 | 122.5° | 180.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C17 | O20 | H20 | 119.0° | 60.0° |
| O20 | C17 | C13 | H13 | 61.2° | 57.2° |
| O20 | C17 | C18 | H181 | 122.6° | 180.0° |
| O20 | C17 | C18 | H182 | 2.6° | 60.0° |
| O20 | C17 | C18 | H183 | 117.4° | 60.0° |
| O20 | C17 | C19 | H191 | 71.7° | 60.0° |
| O20 | C17 | C19 | H192 | 48.3° | 60.0° |
| O20 | C17 | C19 | H193 | 168.3° | 180.0° |
| C21 | C22 | C23 | O28 | 179.5° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C26 | C25 | 1.4° | 0.5° |
| C22 | C21 | C26 | H26 | 178.6° | 179.8° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C21 | C22 | O28 | H28 | 0.8° | 89.9° |
| C26 | C21 | C22 | C23 | 1.3° | 0.2° |
| C26 | C21 | C22 | O28 | 179.2° | 179.8° |
| C21 | C26 | C25 | C24 | 0.5° | 0.6° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C21 | C26 | C25 | F27 | 179.1° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | C22 | O28 | H28 | 178.6° | 90.0° |
| C22 | C23 | C24 | H24 | 179.5° | 180.0° |
| O28 | C22 | C23 | C24 | 179.8° | 180.0° |
| O28 | C22 | C23 | H23 | 0.2° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.3° |
| C23 | C24 | C25 | F27 | 180.0° | 180.0° |
| C24 | C25 | C26 | F27 | 179.6° | 179.7° |
| C24 | C25 | C26 | H26 | 179.5° | 179.7° |
| C25 | C24 | C23 | H23 | 179.5° | 179.9° |
| C26 | C25 | C24 | H24 | 179.6° | 179.7° |
| F27 | C25 | C26 | H26 | 0.9° | 0.1° |
| F27 | C25 | C24 | H24 | 0.0° | 0.0° |
| O29 | C30 | H301 | H302 | 120.0° | 120.0° |
| O29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H303 | 120.0° | 120.1° |
| O31 | C32 | H321 | H322 | 120.0° | 120.0° |
| O31 | C32 | H321 | H323 | 120.0° | 120.0° |
| O31 | C32 | H322 | H323 | 120.0° | 120.0° |
| H11 | N11 | C12 | H12 | 47.0° | 147.1° |
| H12 | C12 | C13 | H13 | 131.0° | 122.1° |
| H12 | C12 | C16 | H161 | 155.9° | 98.4° |
| H12 | C12 | C16 | H162 | 38.3° | 24.0° |
| H13 | C13 | C14 | H141 | 104.5° | 146.2° |
| H13 | C13 | C14 | H142 | 14.4° | 23.7° |
| H161 | C16 | N15 | H15 | 155.8° | 82.2° |
| H162 | C16 | N15 | H15 | 38.1° | 40.2° |
| H141 | C14 | N15 | H15 | 30.8° | 40.3° |
| H142 | C14 | N15 | H15 | 149.7° | 82.1° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 0.5° | 0.0° |
| H301 | C30 | H302 | H303 | 119.9° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
