JK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C36 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | C35 | sing | 1.46Å | 1.35Å | Aromatic |
| C13 | N19 | doub | 1.30Å | 1.37Å | Aromatic |
| C14 | C27 | doub | 1.39Å | 1.49Å | Aromatic |
| C14 | C32 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C30 | doub | 1.39Å | 1.49Å | Aromatic |
| C16 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C29 | sing | 1.48Å | 1.51Å | |
| C18 | O22 | doub | 1.22Å | 1.18Å | |
| C18 | N20 | sing | 1.35Å | 1.44Å | |
| C26 | N21 | sing | 1.40Å | 1.44Å | |
| C26 | C11 | doub | 1.39Å | 1.46Å | Aromatic |
| C26 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | N20 | sing | 1.40Å | 1.45Å | |
| C27 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C31 | C28 | doub | 1.39Å | 1.47Å | Aromatic |
| C31 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | N21 | sing | 1.40Å | 1.44Å | |
| C35 | C36 | sing | 1.41Å | 1.39Å | Aromatic |
| C35 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C36 | N37 | sing | 1.37Å | 1.34Å | Aromatic |
| F38 | C28 | sing | 1.35Å | 1.36Å | |
| C28 | C07 | sing | 1.38Å | 1.36Å | Aromatic |
| C07 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| N37 | N19 | sing | 1.40Å | 1.38Å | Aromatic |
| N37 | C30 | sing | 1.40Å | 1.45Å | Aromatic |
| C30 | C09 | sing | 1.39Å | 1.36Å | Aromatic |
| C09 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.44Å | Aromatic |
| C29 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C33 | O24 | sing | 1.36Å | 1.40Å | |
| C33 | C34 | sing | 1.39Å | 1.44Å | Aromatic |
| O24 | C02 | sing | 1.43Å | 1.40Å | |
| C34 | O25 | sing | 1.36Å | 1.39Å | |
| C34 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
| O25 | C03 | sing | 1.43Å | 1.40Å | |
| C32 | O23 | sing | 1.36Å | 1.39Å | |
| O23 | C01 | sing | 1.43Å | 1.40Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C02 | H02B | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C03 | H03B | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C12 | C11 | 120.3° | 120.1° |
| C12 | C36 | C35 | 121.1° | 119.7° |
| C12 | C36 | N37 | 132.0° | 133.6° |
| C36 | C12 | H12 | 119.8° | 120.0° |
| C12 | C11 | C26 | 117.8° | 120.8° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C11 | H11 | 121.1° | 119.6° |
| C35 | C13 | N19 | 107.4° | 107.8° |
| C13 | C35 | C36 | 109.0° | 106.4° |
| C13 | C35 | C17 | 132.0° | 133.9° |
| C35 | C13 | H13 | 126.3° | 126.1° |
| C13 | N19 | N37 | 107.6° | 110.1° |
| N19 | C13 | H13 | 126.3° | 126.1° |
| C27 | C14 | C32 | 120.0° | 120.0° |
| C14 | C27 | N20 | 117.7° | 119.9° |
| C14 | C27 | C15 | 120.2° | 120.1° |
| C27 | C14 | H14 | 120.0° | 120.0° |
| C14 | C32 | C34 | 119.9° | 120.0° |
| C14 | C32 | O23 | 119.9° | 120.0° |
| C32 | C14 | H14 | 120.0° | 120.0° |
| C30 | C16 | C29 | 119.3° | 119.8° |
| C16 | C30 | N37 | 120.2° | 120.0° |
| C16 | C30 | C09 | 120.0° | 120.0° |
| C30 | C16 | H16 | 120.4° | 120.1° |
| C16 | C29 | C18 | 115.9° | 120.1° |
| C16 | C29 | C08 | 121.3° | 119.7° |
| C29 | C16 | H16 | 120.3° | 120.1° |
| C29 | C18 | O22 | 121.2° | 120.0° |
| C29 | C18 | N20 | 115.7° | 120.0° |
| C18 | C29 | C08 | 122.7° | 120.1° |
| O22 | C18 | N20 | 122.7° | 120.0° |
| C18 | N20 | C27 | 123.4° | 120.0° |
| C18 | N20 | HN20 | 118.3° | 120.0° |
| N21 | C26 | C11 | 126.8° | 119.9° |
| N21 | C26 | C17 | 111.5° | 119.9° |
| C26 | N21 | C31 | 138.1° | 120.1° |
| C26 | N21 | HN21 | 111.0° | 120.0° |
| C11 | C26 | C17 | 121.7° | 120.3° |
| C26 | C11 | H11 | 121.1° | 119.6° |
| C26 | C17 | C35 | 120.0° | 119.5° |
| C26 | C17 | H17 | 120.0° | 120.2° |
| N20 | C27 | C15 | 121.4° | 120.0° |
| C27 | N20 | HN20 | 118.3° | 120.0° |
| C27 | C15 | C33 | 119.5° | 120.0° |
| C27 | C15 | H15 | 120.3° | 120.0° |
| C28 | C31 | C10 | 121.7° | 119.8° |
| C28 | C31 | N21 | 121.8° | 120.1° |
| C31 | C28 | F38 | 120.5° | 120.0° |
| C31 | C28 | C07 | 118.9° | 119.8° |
| C10 | C31 | N21 | 115.8° | 120.1° |
| C31 | C10 | C05 | 119.0° | 120.0° |
| C31 | C10 | H10 | 120.5° | 120.0° |
| C31 | N21 | HN21 | 110.9° | 119.9° |
| C36 | C35 | C17 | 119.0° | 119.7° |
| C35 | C36 | N37 | 106.9° | 106.7° |
| C35 | C17 | H17 | 120.0° | 120.3° |
| C36 | N37 | N19 | 109.1° | 109.0° |
| C36 | N37 | C30 | 124.0° | 125.5° |
| F38 | C28 | C07 | 120.6° | 120.1° |
| C28 | C07 | C04 | 119.5° | 120.1° |
| C28 | C07 | H07 | 120.2° | 119.9° |
| C07 | C04 | C05 | 121.8° | 120.2° |
| C04 | C07 | H07 | 120.3° | 120.0° |
| C07 | C04 | H04 | 119.1° | 119.9° |
| C04 | C05 | C10 | 119.1° | 120.1° |
| C05 | C04 | H04 | 119.1° | 119.9° |
| C04 | C05 | H05 | 120.5° | 119.9° |
| C05 | C10 | H10 | 120.5° | 120.0° |
| C10 | C05 | H05 | 120.4° | 120.0° |
| N19 | N37 | C30 | 126.8° | 125.5° |
| N37 | C30 | C09 | 119.7° | 120.0° |
| C30 | C09 | C06 | 120.0° | 120.2° |
| C30 | C09 | H09 | 120.0° | 119.9° |
| C09 | C06 | C08 | 120.4° | 120.2° |
| C06 | C09 | H09 | 120.0° | 119.9° |
| C09 | C06 | H06 | 119.8° | 119.9° |
| C06 | C08 | C29 | 118.9° | 120.0° |
| C08 | C06 | H06 | 119.8° | 119.9° |
| C06 | C08 | H08 | 120.5° | 119.9° |
| C29 | C08 | H08 | 120.6° | 120.0° |
| C15 | C33 | O24 | 119.5° | 120.0° |
| C15 | C33 | C34 | 120.2° | 120.0° |
| C33 | C15 | H15 | 120.3° | 120.0° |
| O24 | C33 | C34 | 120.2° | 120.0° |
| C33 | O24 | C02 | 117.6° | 117.0° |
| C33 | C34 | O25 | 120.2° | 120.0° |
| C33 | C34 | C32 | 120.0° | 119.9° |
| O24 | C02 | H02 | 109.5° | 109.5° |
| O24 | C02 | H02A | 109.5° | 109.5° |
| O24 | C02 | H02B | 109.5° | 109.4° |
| O25 | C34 | C32 | 119.7° | 120.1° |
| C34 | O25 | C03 | 118.1° | 117.0° |
| C34 | C32 | O23 | 120.2° | 120.0° |
| O25 | C03 | H03 | 109.5° | 109.4° |
| O25 | C03 | H03A | 109.5° | 109.5° |
| O25 | C03 | H03B | 109.4° | 109.4° |
| C32 | O23 | C01 | 119.1° | 117.0° |
| O23 | C01 | H01 | 109.5° | 109.4° |
| O23 | C01 | H01A | 109.5° | 109.4° |
| O23 | C01 | H01B | 109.4° | 109.5° |
| H02 | C02 | H02A | 109.5° | 109.5° |
| H02 | C02 | H02B | 109.4° | 109.5° |
| H02A | C02 | H02B | 109.5° | 109.4° |
| H03 | C03 | H03A | 109.5° | 109.5° |
| H03 | C03 | H03B | 109.4° | 109.5° |
| H03A | C03 | H03B | 109.5° | 109.5° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C36 | C35 | C13 | 179.9° | 179.9° |
| C36 | C12 | C11 | C26 | 1.0° | 0.0° |
| C12 | C36 | C35 | N37 | 179.8° | 180.0° |
| C12 | C36 | C35 | C17 | 0.3° | 0.0° |
| C12 | C36 | N37 | N19 | 180.0° | 180.0° |
| C12 | C36 | N37 | C30 | 1.9° | 0.0° |
| C36 | C12 | C11 | H11 | 179.0° | 180.0° |
| C12 | C11 | C26 | N21 | 178.4° | 179.9° |
| C12 | C11 | C26 | H11 | 180.0° | 180.0° |
| C12 | C11 | C26 | C17 | 1.0° | 0.1° |
| C11 | C12 | C36 | C35 | 0.4° | 0.0° |
| C11 | C12 | C36 | N37 | 179.4° | 180.0° |
| C35 | C13 | N19 | H13 | 180.0° | 179.9° |
| C13 | C35 | C17 | C26 | 179.9° | 179.9° |
| C13 | C35 | C36 | C17 | 179.8° | 180.0° |
| C13 | C35 | C36 | N37 | 0.1° | 0.0° |
| C35 | C13 | N19 | N37 | 0.2° | 0.0° |
| C13 | C35 | C17 | H17 | 0.1° | 0.0° |
| N19 | C13 | C35 | C36 | 0.1° | 0.0° |
| N19 | C13 | C35 | C17 | 179.7° | 180.0° |
| C13 | N19 | N37 | C36 | 0.3° | 0.0° |
| C13 | N19 | N37 | C30 | 177.8° | 179.9° |
| C27 | C14 | C32 | H14 | 180.0° | 179.8° |
| C14 | C27 | N20 | C18 | 27.8° | 145.7° |
| C14 | C27 | N20 | C15 | 170.8° | 179.9° |
| C14 | C27 | C15 | C33 | 3.0° | 0.0° |
| C27 | C14 | C32 | C34 | 0.6° | 0.0° |
| C27 | C14 | C32 | O23 | 178.7° | 180.0° |
| C14 | C27 | N20 | HN20 | 152.2° | 34.4° |
| C14 | C27 | C15 | H15 | 177.0° | 179.9° |
| C32 | C14 | C27 | N20 | 173.3° | 180.0° |
| C32 | C14 | C27 | C15 | 2.3° | 0.1° |
| C14 | C32 | C34 | C33 | 0.3° | 0.0° |
| C14 | C32 | C34 | O25 | 178.6° | 180.0° |
| C14 | C32 | C34 | O23 | 179.3° | 179.9° |
| C14 | C32 | O23 | C01 | 117.6° | 0.1° |
| C30 | C16 | C29 | H16 | 180.0° | 179.8° |
| C30 | C16 | C29 | C18 | 178.7° | 179.9° |
| C16 | C30 | N37 | C36 | 130.1° | 145.0° |
| C16 | C30 | N37 | N19 | 47.7° | 35.1° |
| C16 | C30 | N37 | C09 | 176.1° | 179.9° |
| C16 | C30 | C09 | C06 | 2.0° | 0.1° |
| C30 | C16 | C29 | C08 | 1.9° | 0.0° |
| C16 | C30 | C09 | H09 | 178.1° | 180.0° |
| C16 | C29 | C18 | C08 | 176.7° | 179.9° |
| C16 | C29 | C18 | O22 | 131.4° | 0.1° |
| C16 | C29 | C18 | N20 | 41.7° | 180.0° |
| C29 | C16 | C30 | N37 | 178.7° | 180.0° |
| C29 | C16 | C30 | C09 | 2.6° | 0.1° |
| C16 | C29 | C08 | C06 | 0.7° | 0.0° |
| C16 | C29 | C08 | H08 | 179.3° | 180.0° |
| C29 | C18 | O22 | N20 | 172.6° | 179.9° |
| C29 | C18 | N20 | C27 | 162.5° | 176.8° |
| C18 | C29 | C08 | C06 | 177.2° | 180.0° |
| C18 | C29 | C16 | H16 | 1.3° | 0.3° |
| C18 | C29 | C08 | H08 | 2.8° | 0.1° |
| C29 | C18 | N20 | HN20 | 17.5° | 3.3° |
| O22 | C18 | N20 | C27 | 10.5° | 3.1° |
| O22 | C18 | C29 | C08 | 45.3° | 180.0° |
| O22 | C18 | N20 | HN20 | 169.5° | 176.8° |
| C18 | N20 | C27 | HN20 | 180.0° | 180.0° |
| C18 | N20 | C27 | C15 | 161.4° | 34.4° |
| N20 | C18 | C29 | C08 | 141.6° | 0.1° |
| N21 | C26 | C11 | C17 | 177.4° | 179.9° |
| C26 | N21 | C31 | C28 | 134.3° | 172.1° |
| C26 | N21 | C31 | C10 | 36.6° | 7.6° |
| C26 | N21 | C31 | HN21 | 180.0° | 179.9° |
| N21 | C26 | C17 | C35 | 178.1° | 180.0° |
| N21 | C26 | C11 | H11 | 1.6° | 0.1° |
| N21 | C26 | C17 | H17 | 1.9° | 0.1° |
| C11 | C26 | N21 | C31 | 161.9° | 140.1° |
| C11 | C26 | C17 | C35 | 0.3° | 0.1° |
| C26 | C11 | C12 | H12 | 179.0° | 179.7° |
| C11 | C26 | N21 | HN21 | 18.1° | 40.0° |
| C11 | C26 | C17 | H17 | 179.7° | 180.0° |
| C17 | C26 | N21 | C31 | 15.7° | 39.7° |
| C26 | C17 | C35 | C36 | 0.3° | 0.1° |
| C26 | C17 | C35 | H17 | 180.0° | 179.9° |
| C17 | C26 | N21 | HN21 | 164.3° | 140.2° |
| C17 | C26 | C11 | H11 | 179.0° | 179.9° |
| N20 | C27 | C15 | C33 | 173.6° | 180.0° |
| N20 | C27 | C14 | H14 | 6.7° | 0.2° |
| N20 | C27 | C15 | H15 | 6.4° | 0.0° |
| C27 | C15 | C33 | H15 | 180.0° | 180.0° |
| C27 | C15 | C33 | O24 | 179.3° | 180.0° |
| C27 | C15 | C33 | C34 | 2.1° | 0.0° |
| C15 | C27 | C14 | H14 | 177.7° | 179.7° |
| C15 | C27 | N20 | HN20 | 18.6° | 145.6° |
| C28 | C31 | C10 | N21 | 170.9° | 179.7° |
| C31 | C28 | F38 | C07 | 178.9° | 180.0° |
| C31 | C28 | C07 | C04 | 1.1° | 0.0° |
| C28 | C31 | C10 | C05 | 1.9° | 0.1° |
| C31 | C28 | C07 | H07 | 178.9° | 180.0° |
| C28 | C31 | C10 | H10 | 178.1° | 179.9° |
| C28 | C31 | N21 | HN21 | 45.7° | 7.8° |
| C10 | C31 | C28 | F38 | 178.7° | 180.0° |
| C10 | C31 | C28 | C07 | 2.4° | 0.0° |
| C31 | C10 | C05 | C04 | 0.3° | 0.1° |
| C31 | C10 | C05 | H10 | 180.0° | 179.9° |
| C31 | C10 | C05 | H05 | 179.7° | 179.9° |
| C10 | C31 | N21 | HN21 | 143.4° | 172.4° |
| N21 | C31 | C28 | F38 | 8.3° | 0.2° |
| N21 | C31 | C28 | C07 | 172.8° | 179.8° |
| N21 | C31 | C10 | C05 | 172.9° | 179.8° |
| N21 | C31 | C10 | H10 | 7.1° | 0.3° |
| C35 | C36 | N37 | N19 | 0.2° | 0.0° |
| C35 | C36 | N37 | C30 | 177.9° | 180.0° |
| C35 | C36 | C12 | H12 | 179.6° | 179.7° |
| C36 | C35 | C13 | H13 | 179.9° | 180.0° |
| C36 | C35 | C17 | H17 | 179.7° | 180.0° |
| C17 | C35 | C36 | N37 | 179.9° | 180.0° |
| C17 | C35 | C13 | H13 | 0.3° | 0.0° |
| C36 | N37 | N19 | C30 | 178.1° | 179.9° |
| C36 | N37 | C30 | C09 | 46.1° | 34.9° |
| N37 | C36 | C12 | H12 | 0.6° | 0.3° |
| F38 | C28 | C07 | C04 | 180.0° | 180.0° |
| F38 | C28 | C07 | H07 | 0.0° | 0.0° |
| C28 | C07 | C04 | H07 | 180.0° | 180.0° |
| C28 | C07 | C04 | C05 | 0.5° | 0.0° |
| C28 | C07 | C04 | H04 | 179.5° | 180.0° |
| C07 | C04 | C05 | H04 | 180.0° | 180.0° |
| C07 | C04 | C05 | C10 | 1.0° | 0.0° |
| C07 | C04 | C05 | H05 | 179.0° | 179.9° |
| C04 | C05 | C10 | H05 | 180.0° | 180.0° |
| C05 | C04 | C07 | H07 | 179.5° | 180.0° |
| C04 | C05 | C10 | H10 | 179.7° | 179.9° |
| C10 | C05 | C04 | H04 | 179.0° | 180.0° |
| N19 | N37 | C30 | C09 | 136.1° | 145.0° |
| N37 | N19 | C13 | H13 | 179.7° | 179.9° |
| N37 | C30 | C09 | C06 | 178.1° | 180.0° |
| N37 | C30 | C16 | H16 | 1.3° | 0.2° |
| N37 | C30 | C09 | H09 | 1.9° | 0.1° |
| C30 | C09 | C06 | H09 | 180.0° | 179.9° |
| C30 | C09 | C06 | C08 | 0.7° | 0.0° |
| C09 | C30 | C16 | H16 | 177.4° | 179.7° |
| C30 | C09 | C06 | H06 | 179.2° | 180.0° |
| C09 | C06 | C08 | H06 | 180.0° | 180.0° |
| C09 | C06 | C08 | C29 | 0.0° | 0.0° |
| C09 | C06 | C08 | H08 | 180.0° | 180.0° |
| C06 | C08 | C29 | H08 | 180.0° | 179.9° |
| C08 | C06 | C09 | H09 | 179.3° | 180.0° |
| C08 | C29 | C16 | H16 | 178.1° | 179.8° |
| C29 | C08 | C06 | H06 | 179.9° | 179.9° |
| C15 | C33 | O24 | C34 | 178.6° | 179.9° |
| C15 | C33 | O24 | C02 | 25.9° | 0.1° |
| C15 | C33 | C34 | O25 | 177.9° | 180.0° |
| C15 | C33 | C34 | C32 | 0.4° | 0.1° |
| O24 | C33 | C34 | O25 | 0.6° | 0.1° |
| O24 | C33 | C34 | C32 | 179.0° | 180.0° |
| O24 | C33 | C15 | H15 | 0.6° | 0.1° |
| C33 | O24 | C02 | H02 | 107.0° | 60.0° |
| C33 | O24 | C02 | H02A | 13.0° | 180.0° |
| C33 | O24 | C02 | H02B | 133.0° | 60.1° |
| C34 | C33 | O24 | C02 | 152.7° | 180.0° |
| C33 | C34 | O25 | C32 | 178.4° | 179.9° |
| C33 | C34 | O25 | C03 | 86.3° | 90.0° |
| C33 | C34 | C32 | O23 | 179.6° | 179.9° |
| C34 | C33 | C15 | H15 | 177.9° | 180.0° |
| O24 | C02 | H02 | H02A | 120.0° | 120.0° |
| O24 | C02 | H02 | H02B | 120.0° | 120.0° |
| O24 | C02 | H02A | H02B | 120.0° | 119.9° |
| O25 | C34 | C32 | O23 | 2.0° | 0.0° |
| C34 | O25 | C03 | H03 | 127.3° | 60.0° |
| C34 | O25 | C03 | H03A | 7.3° | 60.0° |
| C34 | O25 | C03 | H03B | 112.7° | 180.0° |
| C32 | C34 | O25 | C03 | 92.1° | 89.9° |
| C34 | C32 | O23 | C01 | 61.7° | 180.0° |
| C34 | C32 | C14 | H14 | 179.4° | 179.7° |
| O25 | C03 | H03 | H03A | 120.0° | 120.0° |
| O25 | C03 | H03 | H03B | 120.0° | 120.0° |
| O25 | C03 | H03A | H03B | 120.0° | 120.0° |
| O23 | C32 | C14 | H14 | 1.3° | 0.2° |
| C32 | O23 | C01 | H01 | 42.6° | 180.0° |
| C32 | O23 | C01 | H01A | 77.4° | 60.1° |
| C32 | O23 | C01 | H01B | 162.5° | 59.9° |
| O23 | C01 | H01 | H01A | 120.0° | 119.9° |
| O23 | C01 | H01 | H01B | 119.9° | 120.0° |
| O23 | C01 | H01A | H01B | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 1.0° | 0.3° |
| H07 | C07 | C04 | H04 | 0.5° | 0.0° |
| H04 | C04 | C05 | H05 | 1.0° | 0.0° |
| H10 | C10 | C05 | H05 | 0.3° | 0.0° |
| H09 | C09 | C06 | H06 | 0.7° | 0.0° |
| H06 | C06 | C08 | H08 | 0.1° | 0.0° |
| H02 | C02 | H02A | H02B | 120.0° | 120.0° |
| H03 | C03 | H03A | H03B | 120.0° | 120.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.1° |
