0VI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C26 | sing | 1.40Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| F34 | C29 | sing | 1.40Å | 1.37Å | |
| C26 | F31 | sing | 1.40Å | 1.36Å | |
| C26 | F32 | sing | 1.40Å | 1.36Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | N21 | sing | 1.46Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C29 | F33 | sing | 1.40Å | 1.37Å | |
| C29 | F35 | sing | 1.40Å | 1.36Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| C22 | C27 | sing | 1.53Å | 1.54Å | |
| N21 | C15 | sing | 1.37Å | 1.49Å | |
| N16 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| N16 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N13 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N18 | doub | 1.31Å | 1.34Å | Aromatic |
| N13 | N12 | sing | 1.40Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.37Å | 1.31Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| N18 | C14 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | C10 | doub | 1.39Å | 1.46Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C20 | sing | 1.51Å | 1.53Å | |
| C10 | C05 | sing | 1.48Å | 1.55Å | |
| O08 | C37 | sing | 1.43Å | 1.41Å | |
| O08 | C04 | sing | 1.36Å | 1.40Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| O07 | C06 | sing | 1.36Å | 1.40Å | |
| O07 | C36 | sing | 1.43Å | 1.40Å | |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | BR1 | sing | 1.89Å | 1.94Å | |
| C01 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H92 | sing | 1.09Å | 1.10Å | |
| C19 | H93 | sing | 1.09Å | 1.10Å | |
| C19 | H91 | sing | 1.09Å | 1.10Å | |
| C20 | H02 | sing | 1.09Å | 1.10Å | |
| C20 | H03 | sing | 1.09Å | 1.10Å | |
| C20 | H01 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H74 | sing | 1.09Å | 1.10Å | |
| C27 | H75 | sing | 1.09Å | 1.10Å | |
| C28 | H82 | sing | 1.09Å | 1.10Å | |
| C28 | H81 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C37 | H72 | sing | 1.09Å | 1.10Å | |
| C37 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C26 | C25 | 109.2° | 109.5° |
| F30 | C26 | F31 | 109.4° | 109.4° |
| F30 | C26 | F32 | 109.3° | 109.5° |
| C26 | C25 | C24 | 112.4° | 109.5° |
| C25 | C26 | F31 | 109.8° | 109.4° |
| C25 | C26 | F32 | 109.6° | 109.5° |
| C26 | C25 | H51 | 108.7° | 109.5° |
| C26 | C25 | H52 | 108.7° | 109.4° |
| C25 | C24 | C23 | 111.4° | 109.5° |
| C25 | C24 | H42 | 109.0° | 109.5° |
| C25 | C24 | H41 | 109.0° | 109.4° |
| C24 | C25 | H51 | 108.7° | 109.5° |
| C24 | C25 | H52 | 108.7° | 109.5° |
| F34 | C29 | C28 | 109.6° | 109.4° |
| F34 | C29 | F33 | 109.1° | 109.5° |
| F34 | C29 | F35 | 109.3° | 109.5° |
| F31 | C26 | F32 | 109.6° | 109.5° |
| C24 | C23 | N21 | 111.0° | 109.5° |
| C24 | C23 | H31 | 109.1° | 109.4° |
| C24 | C23 | H32 | 109.1° | 109.5° |
| C23 | C24 | H42 | 109.0° | 109.5° |
| C23 | C24 | H41 | 109.0° | 109.5° |
| C23 | N21 | C22 | 118.8° | 120.0° |
| C23 | N21 | C15 | 119.7° | 120.0° |
| N21 | C23 | H31 | 109.1° | 109.5° |
| N21 | C23 | H32 | 109.1° | 109.5° |
| C29 | C28 | C27 | 112.4° | 109.5° |
| C28 | C29 | F33 | 109.7° | 109.5° |
| C28 | C29 | F35 | 109.8° | 109.5° |
| C29 | C28 | H82 | 108.7° | 109.5° |
| C29 | C28 | H81 | 108.7° | 109.5° |
| C28 | C27 | C22 | 113.4° | 109.5° |
| C28 | C27 | H74 | 108.5° | 109.5° |
| C28 | C27 | H75 | 108.5° | 109.5° |
| C27 | C28 | H82 | 108.7° | 109.4° |
| C27 | C28 | H81 | 108.7° | 109.4° |
| F33 | C29 | F35 | 109.3° | 109.5° |
| N21 | C22 | C27 | 110.2° | 109.5° |
| C22 | N21 | C15 | 121.4° | 120.0° |
| N21 | C22 | H21 | 109.3° | 109.5° |
| N21 | C22 | H22 | 109.3° | 109.5° |
| C27 | C22 | H21 | 109.3° | 109.5° |
| C27 | C22 | H22 | 109.3° | 109.4° |
| C22 | C27 | H74 | 108.5° | 109.4° |
| C22 | C27 | H75 | 108.5° | 109.5° |
| N21 | C15 | N16 | 118.8° | 120.3° |
| N21 | C15 | N13 | 121.5° | 120.3° |
| C15 | N16 | C17 | 120.3° | 120.9° |
| N16 | C15 | N13 | 119.7° | 119.4° |
| N16 | C17 | C19 | 119.8° | 119.3° |
| N16 | C17 | N18 | 120.0° | 121.3° |
| C15 | N13 | N12 | 131.0° | 133.3° |
| C15 | N13 | C14 | 119.7° | 118.8° |
| C19 | C17 | N18 | 120.2° | 119.4° |
| C17 | C19 | H92 | 109.5° | 109.4° |
| C17 | C19 | H93 | 109.5° | 109.5° |
| C17 | C19 | H91 | 109.4° | 109.5° |
| C17 | N18 | C14 | 120.0° | 120.1° |
| N12 | N13 | C14 | 109.3° | 107.9° |
| N13 | N12 | C11 | 111.5° | 109.2° |
| N13 | C14 | N18 | 120.2° | 119.5° |
| N13 | C14 | C10 | 107.4° | 106.9° |
| N12 | C11 | C10 | 106.4° | 108.9° |
| N12 | C11 | C20 | 126.9° | 125.6° |
| N18 | C14 | C10 | 132.4° | 133.7° |
| C14 | C10 | C11 | 105.4° | 107.2° |
| C14 | C10 | C05 | 127.1° | 126.4° |
| C10 | C11 | C20 | 126.7° | 125.5° |
| C11 | C10 | C05 | 127.5° | 126.4° |
| C11 | C20 | H02 | 109.5° | 109.4° |
| C11 | C20 | H03 | 109.5° | 109.5° |
| C11 | C20 | H01 | 109.5° | 109.5° |
| C10 | C05 | C04 | 116.4° | 120.2° |
| C10 | C05 | C06 | 123.4° | 120.2° |
| C37 | O08 | C04 | 115.2° | 117.0° |
| O08 | C37 | H71 | 109.5° | 109.5° |
| O08 | C37 | H72 | 109.5° | 109.5° |
| O08 | C37 | H73 | 109.5° | 109.5° |
| O08 | C04 | C05 | 118.2° | 120.0° |
| O08 | C04 | C03 | 121.6° | 120.1° |
| C04 | C05 | C06 | 120.2° | 119.6° |
| C05 | C04 | C03 | 120.2° | 119.8° |
| C05 | C06 | O07 | 120.7° | 120.1° |
| C05 | C06 | C01 | 119.5° | 119.9° |
| C04 | C03 | C02 | 119.9° | 120.2° |
| C04 | C03 | H12 | 120.1° | 119.9° |
| C06 | O07 | C36 | 113.6° | 117.0° |
| O07 | C06 | C01 | 119.9° | 120.1° |
| O07 | C36 | H63 | 109.5° | 109.5° |
| O07 | C36 | H62 | 109.5° | 109.5° |
| O07 | C36 | H61 | 109.5° | 109.5° |
| C06 | C01 | C02 | 120.3° | 120.1° |
| C06 | C01 | H11 | 119.8° | 120.0° |
| C03 | C02 | C01 | 119.9° | 120.3° |
| C03 | C02 | BR1 | 119.8° | 119.8° |
| C02 | C03 | H12 | 120.1° | 119.9° |
| C01 | C02 | BR1 | 120.3° | 119.8° |
| C02 | C01 | H11 | 119.8° | 119.9° |
| H92 | C19 | H93 | 109.5° | 109.5° |
| H92 | C19 | H91 | 109.5° | 109.4° |
| H93 | C19 | H91 | 109.4° | 109.5° |
| H02 | C20 | H03 | 109.5° | 109.5° |
| H02 | C20 | H01 | 109.4° | 109.5° |
| H03 | C20 | H01 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H42 | C24 | H41 | 109.5° | 109.5° |
| H51 | C25 | H52 | 109.5° | 109.4° |
| H74 | C27 | H75 | 109.5° | 109.4° |
| H82 | C28 | H81 | 109.5° | 109.5° |
| H63 | C36 | H62 | 109.5° | 109.5° |
| H63 | C36 | H61 | 109.4° | 109.4° |
| H62 | C36 | H61 | 109.5° | 109.5° |
| H71 | C37 | H72 | 109.4° | 109.4° |
| H71 | C37 | H73 | 109.5° | 109.5° |
| H72 | C37 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C26 | C25 | F31 | 119.9° | 119.9° |
| F30 | C26 | C25 | F32 | 119.7° | 120.1° |
| F30 | C26 | C25 | C24 | 158.2° | 59.9° |
| F30 | C26 | F31 | F32 | 119.8° | 120.0° |
| F30 | C26 | C25 | H51 | 81.4° | 180.0° |
| F30 | C26 | C25 | H52 | 37.8° | 60.1° |
| C26 | C25 | C24 | H51 | 120.4° | 120.1° |
| C26 | C25 | C24 | H52 | 120.4° | 120.0° |
| C25 | C26 | F31 | F32 | 120.3° | 120.0° |
| C26 | C25 | C24 | C23 | 135.4° | 180.0° |
| C26 | C25 | C24 | H42 | 104.3° | 60.0° |
| C26 | C25 | C24 | H41 | 15.1° | 60.0° |
| C26 | C25 | H51 | H52 | 118.7° | 119.9° |
| C24 | C25 | C26 | F31 | 81.9° | 60.0° |
| C24 | C25 | C26 | F32 | 38.4° | 180.0° |
| C25 | C24 | C23 | H42 | 120.3° | 120.0° |
| C25 | C24 | C23 | H41 | 120.3° | 119.9° |
| C25 | C24 | C23 | N21 | 132.9° | 180.0° |
| C25 | C24 | C23 | H31 | 12.6° | 60.0° |
| C25 | C24 | C23 | H32 | 106.9° | 60.0° |
| C25 | C24 | H42 | H41 | 119.1° | 119.9° |
| C24 | C25 | H51 | H52 | 118.7° | 120.0° |
| F34 | C29 | C28 | F33 | 119.8° | 120.0° |
| F34 | C29 | C28 | F35 | 120.0° | 120.0° |
| F34 | C29 | C28 | C27 | 151.1° | 180.0° |
| F34 | C29 | F33 | F35 | 119.4° | 120.0° |
| F34 | C29 | C28 | H82 | 30.6° | 60.0° |
| F34 | C29 | C28 | H81 | 88.5° | 60.1° |
| F31 | C26 | C25 | H51 | 38.5° | 60.1° |
| F31 | C26 | C25 | H52 | 157.7° | 180.0° |
| F32 | C26 | C25 | H51 | 158.9° | 59.9° |
| F32 | C26 | C25 | H52 | 82.0° | 60.0° |
| C24 | C23 | N21 | H31 | 120.2° | 119.9° |
| C24 | C23 | N21 | H32 | 120.2° | 120.0° |
| C24 | C23 | N21 | C22 | 123.6° | 90.0° |
| C24 | C23 | N21 | C15 | 57.9° | 90.0° |
| C24 | C23 | H31 | H32 | 119.3° | 120.0° |
| C23 | C24 | H42 | H41 | 119.1° | 120.0° |
| C23 | C24 | C25 | H51 | 15.0° | 59.9° |
| C23 | C24 | C25 | H52 | 104.2° | 60.0° |
| C23 | N21 | C22 | C15 | 178.5° | 180.0° |
| C23 | N21 | C22 | C27 | 124.2° | 90.0° |
| C23 | N21 | C15 | N16 | 20.4° | 180.0° |
| C23 | N21 | C15 | N13 | 160.7° | 0.0° |
| C23 | N21 | C22 | H21 | 115.6° | 30.0° |
| C23 | N21 | C22 | H22 | 4.1° | 150.0° |
| N21 | C23 | H31 | H32 | 119.3° | 120.0° |
| N21 | C23 | C24 | H42 | 106.9° | 60.0° |
| N21 | C23 | C24 | H41 | 12.6° | 60.1° |
| C29 | C28 | C27 | H82 | 120.4° | 120.0° |
| C29 | C28 | C27 | H81 | 120.4° | 120.0° |
| C28 | C29 | F33 | F35 | 120.5° | 120.0° |
| C29 | C28 | C27 | C22 | 169.0° | 180.0° |
| C29 | C28 | C27 | H74 | 48.5° | 60.0° |
| C29 | C28 | C27 | H75 | 70.4° | 60.0° |
| C29 | C28 | H82 | H81 | 118.6° | 120.1° |
| C27 | C28 | C29 | F33 | 89.1° | 60.0° |
| C27 | C28 | C29 | F35 | 31.0° | 60.0° |
| C28 | C27 | C22 | N21 | 102.2° | 180.0° |
| C28 | C27 | C22 | H74 | 120.6° | 120.0° |
| C28 | C27 | C22 | H75 | 120.6° | 120.1° |
| C28 | C27 | C22 | H21 | 137.7° | 59.9° |
| C28 | C27 | C22 | H22 | 17.9° | 60.0° |
| C28 | C27 | H74 | H75 | 118.2° | 120.0° |
| C27 | C28 | H82 | H81 | 118.7° | 119.9° |
| F33 | C29 | C28 | H82 | 150.4° | 60.0° |
| F33 | C29 | C28 | H81 | 31.3° | 179.9° |
| F35 | C29 | C28 | H82 | 89.4° | 180.0° |
| F35 | C29 | C28 | H81 | 151.5° | 59.9° |
| N21 | C22 | C27 | H21 | 120.1° | 120.0° |
| N21 | C22 | C27 | H22 | 120.1° | 120.1° |
| C22 | N21 | C15 | N16 | 158.1° | 0.0° |
| C22 | N21 | C15 | N13 | 20.8° | 180.0° |
| N21 | C22 | H21 | H22 | 119.7° | 120.0° |
| C22 | N21 | C23 | H31 | 3.3° | 30.0° |
| C22 | N21 | C23 | H32 | 116.2° | 150.0° |
| N21 | C22 | C27 | H74 | 137.2° | 59.9° |
| N21 | C22 | C27 | H75 | 18.4° | 60.0° |
| C27 | C22 | N21 | C15 | 54.3° | 90.0° |
| C27 | C22 | H21 | H22 | 119.7° | 119.9° |
| C22 | C27 | H74 | H75 | 118.2° | 119.9° |
| C22 | C27 | C28 | H82 | 70.5° | 60.0° |
| C22 | C27 | C28 | H81 | 48.6° | 60.0° |
| N21 | C15 | N16 | N13 | 178.9° | 180.0° |
| N21 | C15 | N16 | C17 | 179.6° | 179.9° |
| N21 | C15 | N13 | N12 | 0.9° | 0.1° |
| N21 | C15 | N13 | C14 | 179.5° | 180.0° |
| C15 | N21 | C22 | H21 | 65.8° | 150.0° |
| C15 | N21 | C22 | H22 | 174.4° | 30.0° |
| C15 | N21 | C23 | H31 | 178.1° | 150.0° |
| C15 | N21 | C23 | H32 | 62.3° | 30.0° |
| C15 | N16 | C17 | C19 | 179.7° | 179.8° |
| C15 | N16 | C17 | N18 | 0.4° | 0.0° |
| N16 | C15 | N13 | N12 | 179.9° | 179.9° |
| N16 | C15 | N13 | C14 | 0.6° | 0.0° |
| C17 | N16 | C15 | N13 | 0.6° | 0.1° |
| N16 | C17 | C19 | N18 | 179.9° | 179.9° |
| N16 | C17 | N18 | C14 | 0.1° | 0.2° |
| N16 | C17 | C19 | H92 | 0.0° | 179.9° |
| N16 | C17 | C19 | H93 | 120.0° | 60.2° |
| N16 | C17 | C19 | H91 | 120.0° | 59.9° |
| C15 | N13 | N12 | C14 | 179.6° | 179.9° |
| C15 | N13 | N12 | C11 | 179.7° | 180.0° |
| C15 | N13 | C14 | N18 | 0.3° | 0.2° |
| C15 | N13 | C14 | C10 | 179.2° | 180.0° |
| C19 | C17 | N18 | C14 | 180.0° | 180.0° |
| C17 | C19 | H92 | H93 | 120.0° | 120.0° |
| C17 | C19 | H92 | H91 | 120.0° | 120.0° |
| C17 | C19 | H93 | H91 | 120.0° | 120.1° |
| C17 | N18 | C14 | N13 | 0.1° | 0.3° |
| C17 | N18 | C14 | C10 | 179.3° | 180.0° |
| N18 | C17 | C19 | H92 | 179.9° | 0.0° |
| N18 | C17 | C19 | H93 | 60.1° | 120.0° |
| N18 | C17 | C19 | H91 | 59.9° | 120.0° |
| N12 | N13 | C14 | N18 | 180.0° | 179.7° |
| N12 | N13 | C14 | C10 | 0.4° | 0.1° |
| N13 | N12 | C11 | C10 | 0.6° | 0.0° |
| N13 | N12 | C11 | C20 | 180.0° | 180.0° |
| C14 | N13 | N12 | C11 | 0.1° | 0.1° |
| N13 | C14 | N18 | C10 | 179.4° | 179.7° |
| N13 | C14 | C10 | C11 | 0.8° | 0.0° |
| N13 | C14 | C10 | C05 | 178.8° | 180.0° |
| N12 | C11 | C10 | C14 | 0.9° | 0.0° |
| N12 | C11 | C10 | C20 | 179.3° | 180.0° |
| N12 | C11 | C10 | C05 | 178.9° | 180.0° |
| N12 | C11 | C20 | H02 | 0.0° | 89.9° |
| N12 | C11 | C20 | H03 | 120.0° | 30.0° |
| N12 | C11 | C20 | H01 | 120.0° | 150.1° |
| N18 | C14 | C10 | C11 | 179.7° | 179.7° |
| N18 | C14 | C10 | C05 | 1.7° | 0.3° |
| C14 | C10 | C11 | C05 | 178.0° | 180.0° |
| C14 | C10 | C11 | C20 | 179.8° | 180.0° |
| C14 | C10 | C05 | C04 | 77.4° | 90.0° |
| C14 | C10 | C05 | C06 | 102.9° | 89.8° |
| C11 | C10 | C05 | C04 | 100.2° | 90.0° |
| C11 | C10 | C05 | C06 | 79.5° | 90.2° |
| C10 | C11 | C20 | H02 | 179.2° | 90.0° |
| C10 | C11 | C20 | H03 | 60.8° | 150.0° |
| C10 | C11 | C20 | H01 | 59.2° | 29.9° |
| C20 | C11 | C10 | C05 | 1.8° | 0.0° |
| C11 | C20 | H02 | H03 | 120.0° | 120.0° |
| C11 | C20 | H02 | H01 | 120.0° | 120.0° |
| C11 | C20 | H03 | H01 | 120.0° | 120.0° |
| C10 | C05 | C04 | O08 | 0.3° | 0.0° |
| C10 | C05 | C04 | C06 | 179.7° | 179.8° |
| C10 | C05 | C04 | C03 | 180.0° | 179.9° |
| C10 | C05 | C06 | O07 | 0.2° | 0.2° |
| C10 | C05 | C06 | C01 | 179.9° | 179.7° |
| C37 | O08 | C04 | C05 | 168.6° | 179.9° |
| C37 | O08 | C04 | C03 | 11.7° | 0.0° |
| O08 | C37 | H71 | H72 | 120.0° | 120.0° |
| O08 | C37 | H71 | H73 | 120.1° | 120.1° |
| O08 | C37 | H72 | H73 | 120.0° | 120.0° |
| O08 | C04 | C05 | C03 | 179.7° | 180.0° |
| O08 | C04 | C05 | C06 | 180.0° | 179.8° |
| O08 | C04 | C03 | C02 | 179.9° | 179.9° |
| O08 | C04 | C03 | H12 | 0.0° | 0.1° |
| C04 | O08 | C37 | H71 | 180.0° | 59.9° |
| C04 | O08 | C37 | H72 | 60.0° | 60.0° |
| C04 | O08 | C37 | H73 | 60.0° | 180.0° |
| C04 | C05 | C06 | O07 | 179.9° | 180.0° |
| C04 | C05 | C06 | C01 | 0.2° | 0.5° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H12 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.3° | 0.3° |
| C05 | C06 | O07 | C01 | 179.9° | 179.5° |
| C05 | C06 | O07 | C36 | 138.2° | 180.0° |
| C05 | C06 | C01 | C02 | 0.0° | 0.5° |
| C05 | C06 | C01 | H11 | 180.0° | 179.8° |
| C04 | C03 | C02 | H12 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | BR1 | 179.9° | 180.0° |
| O07 | C06 | C01 | C02 | 179.9° | 180.0° |
| O07 | C06 | C01 | H11 | 0.1° | 0.3° |
| C06 | O07 | C36 | H63 | 180.0° | 180.0° |
| C06 | O07 | C36 | H62 | 60.0° | 60.0° |
| C06 | O07 | C36 | H61 | 60.0° | 60.0° |
| C36 | O07 | C06 | C01 | 41.7° | 0.5° |
| O07 | C36 | H63 | H62 | 120.0° | 120.0° |
| O07 | C36 | H63 | H61 | 120.0° | 120.0° |
| O07 | C36 | H62 | H61 | 120.0° | 120.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.2° |
| C06 | C01 | C02 | H11 | 180.0° | 179.7° |
| C06 | C01 | C02 | BR1 | 180.0° | 179.8° |
| C03 | C02 | C01 | BR1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C01 | C02 | C03 | H12 | 179.9° | 180.0° |
| BR1 | C02 | C01 | H11 | 0.0° | 0.0° |
| BR1 | C02 | C03 | H12 | 0.1° | 0.0° |
| H92 | C19 | H93 | H91 | 120.0° | 120.0° |
| H02 | C20 | H03 | H01 | 120.0° | 120.0° |
| H21 | C22 | C27 | H74 | 17.1° | 60.1° |
| H21 | C22 | C27 | H75 | 101.7° | NaN° |
| H22 | C22 | C27 | H74 | 102.6° | 180.0° |
| H22 | C22 | C27 | H75 | 138.5° | 60.1° |
| H31 | C23 | C24 | H42 | 132.9° | 60.0° |
| H31 | C23 | C24 | H41 | 107.7° | 180.0° |
| H32 | C23 | C24 | H42 | 13.3° | 180.0° |
| H32 | C23 | C24 | H41 | 132.8° | 60.0° |
| H42 | C24 | C25 | H51 | 135.3° | 180.0° |
| H42 | C24 | C25 | H52 | 16.1° | 60.0° |
| H41 | C24 | C25 | H51 | 105.3° | 60.1° |
| H41 | C24 | C25 | H52 | 135.5° | 180.0° |
| H74 | C27 | C28 | H82 | 168.9° | 180.0° |
| H74 | C27 | C28 | H81 | 72.0° | 60.0° |
| H75 | C27 | C28 | H82 | 50.1° | 60.0° |
| H75 | C27 | C28 | H81 | 169.2° | 180.0° |
| H63 | C36 | H62 | H61 | 120.0° | 120.0° |
| H71 | C37 | H72 | H73 | 120.0° | 120.0° |
