T3X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N21 | sing | 1.47Å | 1.30Å | |
| N21 | C20 | sing | 1.47Å | 1.32Å | |
| N21 | C22 | sing | 1.47Å | 1.31Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.47Å | 1.31Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| N18 | C23 | sing | 1.47Å | 1.31Å | |
| N18 | C17 | sing | 1.47Å | 1.34Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.40Å | 1.49Å | |
| N10 | C08 | sing | 1.35Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.58Å | |
| C14 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C08 | sing | 1.48Å | 1.54Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | O09 | doub | 1.22Å | 1.18Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C25 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C29 | sing | 1.43Å | 1.53Å | |
| C25 | F26 | sing | 1.40Å | 1.36Å | |
| C25 | F28 | sing | 1.40Å | 1.36Å | |
| C25 | F27 | sing | 1.40Å | 1.36Å | |
| C29 | C30 | trip | 1.17Å | 1.19Å | |
| C30 | C31 | sing | 1.43Å | 1.53Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C39 | sing | 1.40Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.33Å | Aromatic |
| C39 | N38 | doub | 1.31Å | 1.38Å | Aromatic |
| C33 | C37 | sing | 1.46Å | 1.44Å | Aromatic |
| C33 | C34 | doub | 1.41Å | 1.42Å | Aromatic |
| C37 | N36 | doub | 1.30Å | 1.27Å | Aromatic |
| N38 | C34 | sing | 1.33Å | 1.33Å | Aromatic |
| C34 | N35 | sing | 1.37Å | 1.43Å | Aromatic |
| N36 | N35 | sing | 1.40Å | 1.31Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| N35 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N21 | C20 | 109.7° | 111.0° |
| C24 | N21 | C22 | 109.4° | 111.0° |
| N21 | C24 | H21 | 109.5° | 109.5° |
| N21 | C24 | H22 | 109.5° | 109.5° |
| N21 | C24 | H23 | 109.5° | 109.5° |
| C20 | N21 | C22 | 108.3° | 110.9° |
| N21 | C20 | C19 | 109.7° | 109.4° |
| N21 | C20 | H4 | 109.4° | 109.5° |
| N21 | C20 | H5 | 109.4° | 109.5° |
| N21 | C22 | C23 | 111.4° | 109.4° |
| N21 | C22 | H17 | 109.0° | 109.5° |
| N21 | C22 | H18 | 109.0° | 109.5° |
| C20 | C19 | N18 | 115.8° | 109.4° |
| C19 | C20 | H4 | 109.4° | 109.5° |
| C19 | C20 | H5 | 109.4° | 109.5° |
| C20 | C19 | H8 | 107.9° | 109.5° |
| C20 | C19 | H9 | 107.8° | 109.5° |
| C15 | C16 | C11 | 120.2° | 119.9° |
| C16 | C15 | C14 | 122.2° | 120.0° |
| C16 | C15 | H1 | 118.9° | 120.0° |
| C15 | C16 | H7 | 119.9° | 120.1° |
| C16 | C11 | N10 | 119.5° | 120.1° |
| C16 | C11 | C12 | 118.8° | 119.8° |
| C11 | C16 | H7 | 119.9° | 120.0° |
| C15 | C14 | C17 | 120.0° | 119.9° |
| C15 | C14 | C13 | 117.8° | 120.1° |
| C14 | C15 | H1 | 118.9° | 120.0° |
| C19 | N18 | C23 | 116.0° | 110.9° |
| C19 | N18 | C17 | 109.6° | 111.0° |
| N18 | C19 | H8 | 107.9° | 109.5° |
| N18 | C19 | H9 | 107.9° | 109.5° |
| C06 | C07 | C02 | 119.9° | 120.3° |
| C07 | C06 | C05 | 119.8° | 120.1° |
| C07 | C06 | H15 | 120.1° | 119.9° |
| C06 | C07 | H16 | 120.0° | 119.8° |
| C07 | C02 | C01 | 120.3° | 120.0° |
| C07 | C02 | C03 | 119.7° | 120.1° |
| C02 | C07 | H16 | 120.0° | 119.8° |
| C06 | C05 | C08 | 121.3° | 120.1° |
| C06 | C05 | C04 | 120.1° | 119.9° |
| C05 | C06 | H15 | 120.1° | 120.0° |
| C23 | N18 | C17 | 110.5° | 111.0° |
| N18 | C23 | C22 | 115.9° | 109.4° |
| N18 | C23 | H19 | 107.8° | 109.5° |
| N18 | C23 | H20 | 107.8° | 109.5° |
| N18 | C17 | C14 | 110.7° | 109.4° |
| N18 | C17 | H2 | 109.2° | 109.4° |
| N18 | C17 | H3 | 109.1° | 109.4° |
| C23 | C22 | H17 | 109.0° | 109.5° |
| C23 | C22 | H18 | 109.0° | 109.5° |
| C22 | C23 | H19 | 107.9° | 109.5° |
| C22 | C23 | H20 | 107.8° | 109.5° |
| C11 | N10 | C08 | 120.3° | 120.0° |
| N10 | C11 | C12 | 121.6° | 120.1° |
| C11 | N10 | H10 | 119.8° | 120.0° |
| N10 | C08 | C05 | 121.4° | 120.0° |
| N10 | C08 | O09 | 120.6° | 120.0° |
| C08 | N10 | H10 | 119.8° | 120.0° |
| C11 | C12 | C13 | 122.0° | 119.9° |
| C11 | C12 | H6 | 119.0° | 120.0° |
| C17 | C14 | C13 | 122.2° | 120.0° |
| C14 | C17 | H2 | 109.1° | 109.5° |
| C14 | C17 | H3 | 109.2° | 109.5° |
| C14 | C13 | C12 | 118.9° | 120.1° |
| C14 | C13 | C25 | 122.3° | 119.9° |
| C01 | C02 | C03 | 120.1° | 119.9° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.6° | 119.8° |
| C02 | C03 | C29 | 121.5° | 120.1° |
| C08 | C05 | C04 | 118.6° | 120.1° |
| C05 | C08 | O09 | 118.1° | 120.0° |
| C05 | C04 | C03 | 119.9° | 119.7° |
| C05 | C04 | H14 | 120.1° | 120.2° |
| C12 | C13 | C25 | 118.7° | 119.9° |
| C13 | C12 | H6 | 119.0° | 120.1° |
| C13 | C25 | F26 | 110.2° | 109.5° |
| C13 | C25 | F28 | 109.4° | 109.5° |
| C13 | C25 | F27 | 108.9° | 109.5° |
| C04 | C03 | C29 | 117.9° | 120.1° |
| C03 | C04 | H14 | 120.1° | 120.2° |
| C03 | C29 | C30 | 179.1° | 179.9° |
| F26 | C25 | F28 | 110.0° | 109.5° |
| F26 | C25 | F27 | 108.6° | 109.4° |
| F28 | C25 | F27 | 109.7° | 109.5° |
| C29 | C30 | C31 | 179.4° | 179.9° |
| C30 | C31 | C32 | 120.8° | 120.5° |
| C30 | C31 | C39 | 119.6° | 120.4° |
| C32 | C31 | C39 | 119.6° | 119.1° |
| C31 | C32 | C33 | 117.5° | 118.0° |
| C31 | C32 | H24 | 121.3° | 121.0° |
| C31 | C39 | N38 | 122.2° | 121.3° |
| C31 | C39 | H26 | 118.9° | 119.3° |
| C32 | C33 | C37 | 137.8° | 134.1° |
| C32 | C33 | C34 | 122.1° | 119.4° |
| C33 | C32 | H24 | 121.3° | 121.0° |
| C39 | N38 | C34 | 115.9° | 121.9° |
| N38 | C39 | H26 | 118.9° | 119.3° |
| C37 | C33 | C34 | 100.1° | 106.5° |
| C33 | C37 | N36 | 122.3° | 107.7° |
| C33 | C37 | H25 | 118.9° | 126.2° |
| C33 | C34 | N38 | 122.8° | 120.3° |
| C33 | C34 | N35 | 99.7° | 106.5° |
| C37 | N36 | N35 | 96.1° | 110.1° |
| N36 | C37 | H25 | 118.9° | 126.2° |
| N38 | C34 | N35 | 137.5° | 133.2° |
| C34 | N35 | N36 | 121.8° | 109.3° |
| C34 | N35 | H29 | 119.1° | 125.4° |
| N36 | N35 | H29 | 119.1° | 125.4° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.6° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.4° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.4° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.6° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N21 | C20 | C22 | 119.3° | 123.9° |
| C24 | N21 | C20 | C19 | 176.5° | 64.5° |
| C24 | N21 | C22 | C23 | 179.2° | 64.6° |
| C24 | N21 | C20 | H4 | 56.5° | 55.4° |
| C24 | N21 | C20 | H5 | 63.4° | 175.5° |
| C24 | N21 | C22 | H17 | 58.9° | 175.5° |
| C24 | N21 | C22 | H18 | 60.4° | 55.4° |
| N21 | C24 | H21 | H22 | 120.0° | 120.1° |
| N21 | C24 | H21 | H23 | 120.0° | 120.0° |
| N21 | C24 | H22 | H23 | 120.0° | 120.0° |
| N21 | C20 | C19 | H4 | 120.0° | 119.9° |
| N21 | C20 | C19 | H5 | 120.0° | 120.0° |
| N21 | C20 | C19 | N18 | 19.1° | 58.4° |
| C20 | N21 | C22 | C23 | 59.8° | 59.3° |
| N21 | C20 | H4 | H5 | 119.9° | 120.1° |
| N21 | C20 | C19 | H8 | 101.8° | 178.4° |
| N21 | C20 | C19 | H9 | 140.0° | 61.6° |
| C20 | N21 | C22 | H17 | 60.6° | 60.6° |
| C20 | N21 | C22 | H18 | 179.9° | 179.3° |
| C20 | N21 | C24 | H21 | 180.0° | 59.9° |
| C20 | N21 | C24 | H22 | 60.0° | 180.0° |
| C20 | N21 | C24 | H23 | 60.0° | 60.0° |
| C22 | N21 | C20 | C19 | 64.1° | 59.3° |
| N21 | C22 | C23 | N18 | 9.4° | 58.4° |
| N21 | C22 | C23 | H17 | 120.3° | 119.9° |
| N21 | C22 | C23 | H18 | 120.3° | 120.0° |
| C22 | N21 | C20 | H4 | 175.8° | 179.3° |
| C22 | N21 | C20 | H5 | 55.9° | 60.6° |
| N21 | C22 | H17 | H18 | 119.1° | 120.1° |
| N21 | C22 | C23 | H19 | 111.5° | 61.6° |
| N21 | C22 | C23 | H20 | 130.3° | 178.3° |
| C22 | N21 | C24 | H21 | 61.3° | 176.3° |
| C22 | N21 | C24 | H22 | 58.6° | 56.1° |
| C22 | N21 | C24 | H23 | 178.6° | 63.8° |
| C20 | C19 | N18 | H8 | 120.9° | 120.0° |
| C20 | C19 | N18 | H9 | 120.9° | 120.0° |
| C20 | C19 | N18 | C23 | 30.7° | 59.3° |
| C20 | C19 | N18 | C17 | 156.7° | 176.8° |
| C19 | C20 | H4 | H5 | 119.9° | 120.1° |
| C20 | C19 | H8 | H9 | 117.1° | 120.0° |
| C15 | C16 | C11 | H7 | 180.0° | 179.7° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C15 | C16 | C11 | N10 | 179.9° | 179.8° |
| C15 | C16 | C11 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | C17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C11 | C16 | C15 | C14 | 0.2° | 0.3° |
| C16 | C11 | N10 | C12 | 179.8° | 180.0° |
| C16 | C11 | N10 | C08 | 134.1° | 33.3° |
| C16 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C16 | C15 | H1 | 179.9° | 179.7° |
| C16 | C11 | C12 | H6 | 179.7° | 180.0° |
| C16 | C11 | N10 | H10 | 45.9° | 146.7° |
| C15 | C14 | C17 | N18 | 53.9° | 100.1° |
| C15 | C14 | C17 | C13 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.2° |
| C15 | C14 | C13 | C25 | 179.9° | 179.9° |
| C15 | C14 | C17 | H2 | 66.3° | 19.9° |
| C15 | C14 | C17 | H3 | 174.1° | 140.0° |
| C14 | C15 | C16 | H7 | 179.8° | 180.0° |
| C19 | N18 | C23 | C17 | 125.5° | 123.9° |
| C19 | N18 | C23 | C22 | 35.7° | 59.3° |
| C19 | N18 | C17 | C14 | 158.3° | 170.0° |
| C19 | N18 | C17 | H2 | 38.1° | 70.0° |
| C19 | N18 | C17 | H3 | 81.5° | 50.0° |
| N18 | C19 | C20 | H4 | 139.2° | 178.3° |
| N18 | C19 | C20 | H5 | 100.9° | 61.6° |
| N18 | C19 | H8 | H9 | 117.1° | 120.1° |
| C19 | N18 | C23 | H19 | 156.6° | 60.6° |
| C19 | N18 | C23 | H20 | 85.2° | 179.3° |
| C06 | C07 | C02 | H16 | 180.0° | 179.5° |
| C07 | C06 | C05 | H15 | 180.0° | 179.7° |
| C06 | C07 | C02 | C01 | 179.8° | 179.8° |
| C06 | C07 | C02 | C03 | 0.3° | 0.6° |
| C07 | C06 | C05 | C08 | 179.3° | 179.7° |
| C07 | C06 | C05 | C04 | 0.6° | 0.3° |
| C02 | C07 | C06 | C05 | 0.4° | 0.6° |
| C07 | C02 | C01 | C03 | 179.6° | 179.7° |
| C07 | C02 | C03 | C04 | 0.3° | 0.2° |
| C07 | C02 | C03 | C29 | 179.8° | 179.7° |
| C07 | C02 | C01 | H11 | 89.8° | 90.2° |
| C07 | C02 | C01 | H12 | 150.2° | 29.7° |
| C07 | C02 | C01 | H13 | 30.2° | 149.7° |
| C02 | C07 | C06 | H15 | 179.5° | 179.7° |
| C06 | C05 | C08 | N10 | 33.3° | 0.0° |
| C06 | C05 | C08 | C04 | 178.7° | 180.0° |
| C06 | C05 | C08 | O09 | 145.9° | 180.0° |
| C06 | C05 | C04 | C03 | 0.7° | 0.0° |
| C06 | C05 | C04 | H14 | 179.3° | 179.9° |
| C05 | C06 | C07 | H16 | 179.6° | 180.0° |
| N18 | C23 | C22 | H19 | 120.9° | 120.0° |
| N18 | C23 | C22 | H20 | 120.9° | 119.9° |
| C23 | N18 | C17 | C14 | 72.6° | 66.2° |
| C23 | N18 | C17 | H2 | 167.2° | 53.8° |
| C23 | N18 | C17 | H3 | 47.6° | 173.8° |
| C23 | N18 | C19 | H8 | 151.6° | 179.3° |
| C23 | N18 | C19 | H9 | 90.2° | 60.6° |
| N18 | C23 | C22 | H17 | 110.9° | 61.6° |
| N18 | C23 | C22 | H18 | 129.7° | 178.4° |
| N18 | C23 | H19 | H20 | 117.1° | 120.1° |
| C17 | N18 | C23 | C22 | 161.2° | 176.8° |
| N18 | C17 | C14 | H2 | 120.2° | 120.0° |
| N18 | C17 | C14 | H3 | 120.2° | 119.9° |
| N18 | C17 | C14 | C13 | 126.0° | 80.1° |
| N18 | C17 | H2 | H3 | 119.4° | 119.9° |
| C17 | N18 | C19 | H8 | 82.4° | 56.8° |
| C17 | N18 | C19 | H9 | 35.8° | 63.2° |
| C17 | N18 | C23 | H19 | 77.9° | 63.2° |
| C17 | N18 | C23 | H20 | 40.3° | 56.9° |
| C23 | C22 | H17 | H18 | 119.1° | 120.0° |
| C22 | C23 | H19 | H20 | 117.1° | 120.0° |
| C11 | N10 | C08 | H10 | 180.0° | 180.0° |
| C11 | N10 | C08 | C05 | 179.1° | 174.7° |
| C11 | N10 | C08 | O09 | 0.1° | 5.3° |
| N10 | C11 | C12 | C13 | 179.5° | 180.0° |
| N10 | C11 | C12 | H6 | 0.5° | 0.0° |
| N10 | C11 | C16 | H7 | 0.1° | 0.0° |
| C08 | N10 | C11 | C12 | 45.7° | 146.7° |
| N10 | C08 | C05 | O09 | 179.2° | 180.0° |
| N10 | C08 | C05 | C04 | 148.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.2° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C25 | 180.0° | 179.9° |
| C12 | C11 | C16 | H7 | 179.9° | 180.0° |
| C12 | C11 | N10 | H10 | 134.3° | 33.3° |
| C17 | C14 | C13 | C12 | 179.7° | 179.7° |
| C17 | C14 | C13 | C25 | 0.3° | 0.0° |
| C17 | C14 | C15 | H1 | 0.0° | 0.0° |
| C14 | C17 | H2 | H3 | 119.4° | 120.1° |
| C14 | C13 | C12 | C25 | 179.5° | 179.8° |
| C14 | C13 | C25 | F26 | 57.5° | 179.8° |
| C14 | C13 | C25 | F28 | 63.5° | 59.7° |
| C14 | C13 | C25 | F27 | 176.6° | 60.3° |
| C13 | C14 | C15 | H1 | 179.9° | 179.9° |
| C13 | C14 | C17 | H2 | 113.8° | 160.0° |
| C13 | C14 | C17 | H3 | 5.8° | 39.9° |
| C14 | C13 | C12 | H6 | 179.5° | 179.8° |
| C01 | C02 | C03 | C04 | 179.9° | 179.9° |
| C01 | C02 | C03 | C29 | 0.3° | 0.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.1° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C07 | H16 | 0.2° | 0.3° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C02 | C03 | C04 | C29 | 179.8° | 180.0° |
| C02 | C03 | C29 | C30 | 172.5° | 43.6° |
| C03 | C02 | C01 | H11 | 89.8° | 90.1° |
| C03 | C02 | C01 | H12 | 30.2° | 150.0° |
| C03 | C02 | C01 | H13 | 150.2° | 30.0° |
| C02 | C03 | C04 | H14 | 179.4° | 179.9° |
| C03 | C02 | C07 | H16 | 179.7° | 180.0° |
| C08 | C05 | C04 | C03 | 179.4° | 180.0° |
| C05 | C08 | N10 | H10 | 0.9° | 5.3° |
| C08 | C05 | C04 | H14 | 0.6° | 0.1° |
| C08 | C05 | C06 | H15 | 0.6° | 0.0° |
| C04 | C05 | C08 | O09 | 32.8° | 0.0° |
| C05 | C04 | C03 | H14 | 180.0° | 179.9° |
| C05 | C04 | C03 | C29 | 179.6° | 180.0° |
| C04 | C05 | C06 | H15 | 179.3° | 180.0° |
| O09 | C08 | N10 | H10 | 179.9° | 174.7° |
| C12 | C13 | C25 | F26 | 123.0° | 0.0° |
| C12 | C13 | C25 | F28 | 115.9° | 120.0° |
| C12 | C13 | C25 | F27 | 4.0° | 120.0° |
| C13 | C25 | F26 | F28 | 120.7° | 120.0° |
| C13 | C25 | F26 | F27 | 119.2° | 120.0° |
| C13 | C25 | F28 | F27 | 119.4° | 120.0° |
| C25 | C13 | C12 | H6 | 0.0° | 0.0° |
| C04 | C03 | C29 | C30 | 7.3° | 136.4° |
| C03 | C29 | C30 | C31 | 4.5° | NaN° |
| C29 | C03 | C04 | H14 | 0.4° | 0.1° |
| F26 | C25 | F28 | F27 | 119.4° | 120.0° |
| C29 | C30 | C31 | C32 | 87.5° | 43.7° |
| C29 | C30 | C31 | C39 | 92.4° | 136.6° |
| C30 | C31 | C32 | C39 | 179.9° | 179.7° |
| C30 | C31 | C32 | C33 | 179.9° | 179.9° |
| C30 | C31 | C39 | N38 | 180.0° | 179.8° |
| C30 | C31 | C32 | H24 | 0.1° | 0.0° |
| C30 | C31 | C39 | H26 | 0.0° | 0.0° |
| C31 | C32 | C33 | H24 | 180.0° | 179.9° |
| C32 | C31 | C39 | N38 | 0.0° | 0.4° |
| C31 | C32 | C33 | C37 | 179.8° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C32 | C31 | C39 | H26 | 179.9° | 179.7° |
| C39 | C31 | C32 | C33 | 0.0° | 0.2° |
| C31 | C39 | N38 | H26 | 180.0° | 179.8° |
| C31 | C39 | N38 | C34 | 0.0° | 0.4° |
| C39 | C31 | C32 | H24 | 180.0° | 179.7° |
| C32 | C33 | C37 | C34 | 179.8° | 179.9° |
| C32 | C33 | C37 | N36 | 179.8° | 179.9° |
| C32 | C33 | C34 | N38 | 0.1° | 0.1° |
| C32 | C33 | C34 | N35 | 179.8° | 179.9° |
| C32 | C33 | C37 | H25 | 0.2° | 0.1° |
| C39 | N38 | C34 | C33 | 0.1° | 0.2° |
| C39 | N38 | C34 | N35 | 179.8° | 179.8° |
| C33 | C37 | N36 | H25 | 180.0° | 180.0° |
| C37 | C33 | C34 | N38 | 180.0° | 180.0° |
| C37 | C33 | C34 | N35 | 0.0° | 0.0° |
| C33 | C37 | N36 | N35 | 0.0° | 0.0° |
| C37 | C33 | C32 | H24 | 0.2° | 0.1° |
| C34 | C33 | C37 | N36 | 0.0° | 0.0° |
| C33 | C34 | N38 | N35 | 179.9° | 180.0° |
| C33 | C34 | N35 | N36 | 0.0° | 0.0° |
| C34 | C33 | C32 | H24 | 180.0° | 180.0° |
| C34 | C33 | C37 | H25 | 180.0° | 180.0° |
| C33 | C34 | N35 | H29 | 180.0° | 180.0° |
| C37 | N36 | N35 | C34 | 0.0° | 0.0° |
| C37 | N36 | N35 | H29 | 180.0° | 180.0° |
| N38 | C34 | N35 | N36 | 179.9° | 180.0° |
| C34 | N38 | C39 | H26 | 180.0° | 179.7° |
| N38 | C34 | N35 | H29 | 0.1° | 0.0° |
| C34 | N35 | N36 | H29 | 180.0° | 180.0° |
| N35 | N36 | C37 | H25 | 180.0° | 180.0° |
| H1 | C15 | C16 | H7 | 0.1° | 0.0° |
| H4 | C20 | C19 | H8 | 18.2° | 61.7° |
| H4 | C20 | C19 | H9 | 99.9° | 58.4° |
| H5 | C20 | C19 | H8 | 138.2° | 58.4° |
| H5 | C20 | C19 | H9 | 20.0° | 178.5° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H15 | C06 | C07 | H16 | 0.5° | 0.3° |
| H17 | C22 | C23 | H19 | 128.1° | 178.5° |
| H17 | C22 | C23 | H20 | 10.0° | 58.4° |
| H18 | C22 | C23 | H19 | 8.8° | 58.4° |
| H18 | C22 | C23 | H20 | 109.4° | 61.7° |
| H21 | C24 | H22 | H23 | 120.0° | 119.9° |
