XZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
| N06 | C05 | sing | 1.32Å | 1.32Å | Aromatic |
| C07 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| N08 | C05 | sing | 1.39Å | 1.46Å | |
| N08 | C09 | sing | 1.40Å | 1.46Å | |
| C05 | N04 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| F12 | C11 | sing | 1.35Å | 1.37Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| N04 | C03 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | N24 | sing | 1.39Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C17 | sing | 1.53Å | 1.41Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.55Å | |
| C14 | F15 | sing | 1.35Å | 1.36Å | |
| C21 | N20 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.41Å | |
| N24 | C25 | sing | 1.40Å | 1.45Å | |
| C25 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C38 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| N20 | C23 | sing | 1.47Å | 1.21Å | |
| N20 | C19 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.40Å | 1.45Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| N30 | S31 | sing | 1.66Å | 1.71Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | F39 | sing | 1.35Å | 1.36Å | |
| O37 | S31 | doub | 1.42Å | 1.47Å | |
| S31 | O36 | doub | 1.42Å | 1.46Å | |
| S31 | C32 | sing | 1.81Å | 1.82Å | |
| C34 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C35 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| N08 | H31 | sing | 0.97Å | 1.00Å | |
| N24 | H33 | sing | 0.97Å | 1.00Å | |
| N30 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N06 | C05 | 122.3° | 120.9° |
| N06 | C07 | C02 | 118.0° | 119.3° |
| N06 | C07 | H11 | 121.0° | 120.3° |
| N06 | C05 | N08 | 116.4° | 119.2° |
| N06 | C05 | N04 | 120.8° | 121.7° |
| C07 | C02 | C01 | 119.8° | 120.7° |
| C07 | C02 | C03 | 119.3° | 118.5° |
| C02 | C07 | H11 | 121.0° | 120.4° |
| C05 | N08 | C09 | 127.3° | 120.0° |
| N08 | C05 | N04 | 122.8° | 119.2° |
| C05 | N08 | H31 | 116.4° | 120.0° |
| N08 | C09 | C10 | 117.8° | 120.0° |
| N08 | C09 | C16 | 122.8° | 120.0° |
| C09 | N08 | H31 | 116.3° | 120.0° |
| C05 | N04 | C03 | 121.2° | 120.6° |
| C09 | C10 | C11 | 121.0° | 120.0° |
| C10 | C09 | C16 | 119.4° | 119.9° |
| C09 | C10 | H1 | 119.5° | 120.1° |
| C10 | C11 | F12 | 118.2° | 120.0° |
| C10 | C11 | C13 | 119.7° | 120.0° |
| C11 | C10 | H1 | 119.5° | 119.9° |
| C09 | C16 | C14 | 120.0° | 119.9° |
| C09 | C16 | H12 | 120.0° | 120.0° |
| F12 | C11 | C13 | 122.1° | 120.0° |
| C01 | C02 | C03 | 120.9° | 120.7° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C03 | N04 | 118.4° | 119.0° |
| C02 | C03 | N24 | 119.4° | 120.5° |
| C11 | C13 | C14 | 119.3° | 120.1° |
| C11 | C13 | C17 | 122.0° | 119.9° |
| N04 | C03 | N24 | 122.2° | 120.5° |
| C16 | C14 | C13 | 120.6° | 120.1° |
| C16 | C14 | F15 | 119.7° | 120.0° |
| C14 | C16 | H12 | 120.0° | 120.0° |
| C03 | N24 | C25 | 124.0° | 120.0° |
| C03 | N24 | H33 | 118.0° | 120.0° |
| C21 | C22 | C17 | 113.2° | 109.3° |
| C22 | C21 | N20 | 115.0° | 109.5° |
| C22 | C21 | H3 | 108.1° | 109.4° |
| C22 | C21 | H4 | 108.1° | 109.5° |
| C21 | C22 | H5 | 108.5° | 109.6° |
| C21 | C22 | H6 | 108.5° | 109.5° |
| C22 | C17 | C13 | 113.8° | 109.5° |
| C22 | C17 | C18 | 108.0° | 109.2° |
| C22 | C17 | H2 | 109.0° | 109.6° |
| C17 | C22 | H5 | 108.6° | 109.5° |
| C17 | C22 | H6 | 108.5° | 109.5° |
| C14 | C13 | C17 | 118.7° | 120.0° |
| C13 | C14 | F15 | 119.7° | 120.0° |
| C13 | C17 | C18 | 109.8° | 109.5° |
| C13 | C17 | H2 | 107.2° | 109.5° |
| C21 | N20 | C23 | 108.9° | 111.0° |
| C21 | N20 | C19 | 119.2° | 111.2° |
| N20 | C21 | H3 | 108.1° | 109.4° |
| N20 | C21 | H4 | 108.1° | 109.5° |
| C17 | C18 | C19 | 113.3° | 109.3° |
| C18 | C17 | H2 | 109.0° | 109.5° |
| C17 | C18 | H13 | 108.5° | 109.5° |
| C17 | C18 | H14 | 108.5° | 109.5° |
| N24 | C25 | C38 | 119.0° | 120.0° |
| N24 | C25 | C26 | 121.0° | 120.0° |
| C25 | N24 | H33 | 118.0° | 120.0° |
| C38 | C25 | C26 | 119.9° | 119.9° |
| C25 | C38 | C29 | 120.1° | 119.9° |
| C25 | C38 | H30 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.1° |
| C25 | C26 | H7 | 120.0° | 119.9° |
| C18 | C19 | N20 | 115.1° | 109.5° |
| C19 | C18 | H13 | 108.5° | 109.5° |
| C19 | C18 | H14 | 108.5° | 109.5° |
| C18 | C19 | H15 | 108.0° | 109.5° |
| C18 | C19 | H16 | 108.0° | 109.5° |
| C38 | C29 | N30 | 119.6° | 120.0° |
| C38 | C29 | C28 | 120.0° | 120.0° |
| C29 | C38 | H30 | 119.9° | 120.1° |
| C23 | N20 | C19 | 109.0° | 111.0° |
| N20 | C23 | H17 | 109.5° | 109.5° |
| N20 | C23 | H18 | 109.4° | 109.5° |
| N20 | C23 | H19 | 109.4° | 109.5° |
| N20 | C19 | H15 | 108.1° | 109.4° |
| N20 | C19 | H16 | 108.1° | 109.4° |
| C26 | C27 | C28 | 119.9° | 120.1° |
| C27 | C26 | H7 | 120.0° | 120.0° |
| C26 | C27 | H20 | 120.0° | 120.0° |
| N30 | C29 | C28 | 120.4° | 120.0° |
| C29 | N30 | S31 | 121.0° | 120.0° |
| C29 | N30 | H34 | 106.5° | 120.0° |
| C29 | C28 | C27 | 120.0° | 120.0° |
| C29 | C28 | F39 | 120.0° | 120.1° |
| N30 | S31 | O37 | 110.9° | 104.3° |
| N30 | S31 | O36 | 110.7° | 104.3° |
| N30 | S31 | C32 | 113.1° | 104.4° |
| S31 | N30 | H34 | 106.6° | 120.0° |
| C27 | C28 | F39 | 120.0° | 119.9° |
| C28 | C27 | H20 | 120.1° | 119.9° |
| O37 | S31 | O36 | 100.9° | 121.0° |
| O37 | S31 | C32 | 110.2° | 110.6° |
| O36 | S31 | C32 | 110.4° | 110.5° |
| S31 | C32 | C34 | 110.8° | 109.5° |
| S31 | C32 | C35 | 109.7° | 109.5° |
| S31 | C32 | C33 | 108.6° | 109.5° |
| C34 | C32 | C35 | 109.7° | 109.4° |
| C34 | C32 | C33 | 108.5° | 109.5° |
| C32 | C34 | H24 | 109.5° | 109.5° |
| C32 | C34 | H25 | 109.5° | 109.4° |
| C32 | C34 | H26 | 109.5° | 109.5° |
| C35 | C32 | C33 | 109.5° | 109.5° |
| C32 | C35 | H27 | 109.5° | 109.5° |
| C32 | C35 | H28 | 109.5° | 109.5° |
| C32 | C35 | H29 | 109.5° | 109.5° |
| C32 | C33 | H21 | 109.5° | 109.5° |
| C32 | C33 | H22 | 109.5° | 109.4° |
| C32 | C33 | H23 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.4° | 109.4° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.6° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.5° | 109.5° |
| H21 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H24 | C34 | H26 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.4° |
| H27 | C35 | H28 | 109.5° | 109.4° |
| H27 | C35 | H29 | 109.4° | 109.4° |
| H28 | C35 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | C02 | H11 | 180.0° | 179.9° |
| C07 | N06 | C05 | N08 | 179.8° | 180.0° |
| C07 | N06 | C05 | N04 | 0.1° | 0.3° |
| N06 | C07 | C02 | C01 | 179.9° | 180.0° |
| N06 | C07 | C02 | C03 | 0.2° | 0.2° |
| C05 | N06 | C07 | C02 | 0.0° | 0.0° |
| N06 | C05 | N08 | N04 | 179.9° | 179.7° |
| N06 | C05 | N08 | C09 | 178.1° | 5.9° |
| N06 | C05 | N04 | C03 | 0.3° | 0.3° |
| C05 | N06 | C07 | H11 | 180.0° | 180.0° |
| N06 | C05 | N08 | H31 | 1.9° | 174.0° |
| C07 | C02 | C01 | C03 | 179.8° | 179.8° |
| C07 | C02 | C03 | N04 | 0.3° | 0.2° |
| C07 | C02 | C03 | N24 | 179.5° | 179.7° |
| C07 | C02 | C01 | H8 | 90.1° | 90.3° |
| C07 | C02 | C01 | H9 | 149.9° | 29.7° |
| C07 | C02 | C01 | H10 | 29.9° | 149.7° |
| C05 | N08 | C09 | H31 | 180.0° | 179.9° |
| C05 | N08 | C09 | C10 | 155.2° | 146.7° |
| C05 | N08 | C09 | C16 | 25.4° | 33.3° |
| N08 | C05 | N04 | C03 | 179.6° | 179.9° |
| C09 | N08 | C05 | N04 | 2.0° | 174.3° |
| N08 | C09 | C10 | C16 | 179.4° | 180.0° |
| N08 | C09 | C10 | C11 | 179.8° | 180.0° |
| N08 | C09 | C16 | C14 | 179.8° | 180.0° |
| N08 | C09 | C10 | H1 | 0.2° | 0.3° |
| N08 | C09 | C16 | H12 | 0.2° | 0.0° |
| C05 | N04 | C03 | C02 | 0.4° | 0.1° |
| C05 | N04 | C03 | N24 | 179.5° | 180.0° |
| N04 | C05 | N08 | H31 | 178.0° | 5.7° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | F12 | 179.9° | 180.0° |
| C09 | C10 | C11 | C13 | 0.3° | 0.0° |
| C10 | C09 | C16 | C14 | 0.5° | 0.0° |
| C10 | C09 | C16 | H12 | 179.5° | 179.9° |
| C10 | C09 | N08 | H31 | 24.8° | 33.3° |
| C11 | C10 | C09 | C16 | 0.4° | 0.0° |
| C10 | C11 | F12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C13 | C14 | 0.2° | 0.0° |
| C10 | C11 | C13 | C17 | 179.9° | 179.9° |
| C09 | C16 | C14 | H12 | 180.0° | 179.9° |
| C09 | C16 | C14 | C13 | 0.4° | 0.0° |
| C09 | C16 | C14 | F15 | 179.8° | 180.0° |
| C16 | C09 | C10 | H1 | 179.6° | 179.7° |
| C16 | C09 | N08 | H31 | 154.5° | 146.8° |
| F12 | C11 | C13 | C14 | 180.0° | 180.0° |
| F12 | C11 | C13 | C17 | 0.3° | 0.1° |
| F12 | C11 | C10 | H1 | 0.1° | 0.3° |
| C01 | C02 | C03 | N04 | 179.9° | 180.0° |
| C01 | C02 | C03 | N24 | 0.8° | 0.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C01 | C02 | C07 | H11 | 0.1° | 0.0° |
| C02 | C03 | N04 | N24 | 179.1° | 179.9° |
| C02 | C03 | N24 | C25 | 155.0° | 174.4° |
| C03 | C02 | C01 | H8 | 90.1° | 89.9° |
| C03 | C02 | C01 | H9 | 29.9° | 150.0° |
| C03 | C02 | C01 | H10 | 149.9° | 30.1° |
| C03 | C02 | C07 | H11 | 179.8° | 179.7° |
| C02 | C03 | N24 | H33 | 25.0° | 5.5° |
| C11 | C13 | C14 | C16 | 0.3° | 0.0° |
| C11 | C13 | C17 | C22 | 59.8° | 59.7° |
| C11 | C13 | C14 | C17 | 179.7° | 179.9° |
| C11 | C13 | C14 | F15 | 179.9° | 180.0° |
| C11 | C13 | C17 | C18 | 61.4° | 60.0° |
| C13 | C11 | C10 | H1 | 179.7° | 179.7° |
| C11 | C13 | C17 | H2 | 179.6° | 179.9° |
| N04 | C03 | N24 | C25 | 25.9° | 5.7° |
| N04 | C03 | N24 | H33 | 154.1° | 174.4° |
| C16 | C14 | C13 | F15 | 179.8° | 180.0° |
| C16 | C14 | C13 | C17 | 179.9° | 179.9° |
| C03 | N24 | C25 | H33 | 180.0° | 179.9° |
| C03 | N24 | C25 | C38 | 123.7° | 144.2° |
| C03 | N24 | C25 | C26 | 57.7° | 35.8° |
| C21 | C22 | C17 | H5 | 120.5° | 120.0° |
| C21 | C22 | C17 | H6 | 120.5° | 119.9° |
| C21 | C22 | C17 | C13 | 172.5° | 177.6° |
| C22 | C21 | N20 | H3 | 120.8° | 120.0° |
| C22 | C21 | N20 | H4 | 120.8° | 120.1° |
| C21 | C22 | C17 | C18 | 65.4° | 57.7° |
| C22 | C21 | N20 | C23 | 129.0° | 62.3° |
| C22 | C21 | N20 | C19 | 3.1° | 61.8° |
| C21 | C22 | C17 | H2 | 52.9° | 62.3° |
| C22 | C21 | H3 | H4 | 117.5° | 120.0° |
| C21 | C22 | H5 | H6 | 118.3° | 120.1° |
| C22 | C17 | C13 | C14 | 120.5° | 120.3° |
| C22 | C17 | C13 | C18 | 121.2° | 119.7° |
| C22 | C17 | C13 | H2 | 120.6° | 120.2° |
| C17 | C22 | C21 | N20 | 31.0° | 59.2° |
| C22 | C17 | C18 | H2 | 118.3° | 120.0° |
| C22 | C17 | C18 | C19 | 65.1° | 57.7° |
| C17 | C22 | C21 | H3 | 151.8° | 179.2° |
| C17 | C22 | C21 | H4 | 89.8° | 60.9° |
| C17 | C22 | H5 | H6 | 118.3° | 120.1° |
| C22 | C17 | C18 | H13 | 174.4° | 177.6° |
| C22 | C17 | C18 | H14 | 55.5° | 62.2° |
| C14 | C13 | C17 | C18 | 118.3° | 120.0° |
| C14 | C13 | C17 | H2 | 0.0° | 0.2° |
| C13 | C14 | C16 | H12 | 179.6° | 180.0° |
| C17 | C13 | C14 | F15 | 0.3° | 0.1° |
| C13 | C17 | C18 | H2 | 117.1° | 120.1° |
| C13 | C17 | C18 | C19 | 170.3° | 177.6° |
| C13 | C17 | C22 | H5 | 52.0° | 57.6° |
| C13 | C17 | C22 | H6 | 67.0° | 62.5° |
| C13 | C17 | C18 | H13 | 49.8° | 62.5° |
| C13 | C17 | C18 | H14 | 69.1° | 57.6° |
| F15 | C14 | C16 | H12 | 0.2° | 0.1° |
| C21 | N20 | C19 | C18 | 3.4° | 61.8° |
| C21 | N20 | C23 | C19 | 131.5° | 124.2° |
| N20 | C21 | H3 | H4 | 117.5° | 120.0° |
| N20 | C21 | C22 | H5 | 151.6° | 60.8° |
| N20 | C21 | C22 | H6 | 89.5° | 179.1° |
| C21 | N20 | C19 | H15 | 124.2° | 58.3° |
| C21 | N20 | C19 | H16 | 117.5° | 178.2° |
| C21 | N20 | C23 | H17 | 180.0° | 60.0° |
| C21 | N20 | C23 | H18 | 60.0° | 180.0° |
| C21 | N20 | C23 | H19 | 60.0° | 60.0° |
| C17 | C18 | C19 | H13 | 120.6° | 119.9° |
| C17 | C18 | C19 | H14 | 120.5° | 119.9° |
| C17 | C18 | C19 | N20 | 30.5° | 59.2° |
| C18 | C17 | C22 | H5 | 174.1° | 62.3° |
| C18 | C17 | C22 | H6 | 55.2° | 177.6° |
| C17 | C18 | H13 | H14 | 118.3° | 120.1° |
| C17 | C18 | C19 | H15 | 90.4° | 60.8° |
| C17 | C18 | C19 | H16 | 151.3° | 179.2° |
| N24 | C25 | C38 | C26 | 178.6° | 179.9° |
| N24 | C25 | C38 | C29 | 179.4° | 180.0° |
| N24 | C25 | C26 | C27 | 179.5° | 180.0° |
| N24 | C25 | C26 | H7 | 0.5° | 0.3° |
| N24 | C25 | C38 | H30 | 0.6° | 0.0° |
| C25 | C38 | C29 | H30 | 180.0° | 180.0° |
| C38 | C25 | C26 | C27 | 1.0° | 0.1° |
| C25 | C38 | C29 | N30 | 179.7° | 179.7° |
| C25 | C38 | C29 | C28 | 0.3° | 0.3° |
| C38 | C25 | C26 | H7 | 179.0° | 179.8° |
| C38 | C25 | N24 | H33 | 56.3° | 35.8° |
| C26 | C25 | C38 | C29 | 0.8° | 0.0° |
| C25 | C26 | C27 | H7 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.6° | 0.3° |
| C25 | C26 | C27 | H20 | 179.4° | 179.7° |
| C26 | C25 | C38 | H30 | 179.1° | 179.9° |
| C26 | C25 | N24 | H33 | 122.2° | 144.1° |
| C18 | C19 | N20 | C23 | 129.1° | 62.4° |
| C18 | C19 | N20 | H15 | 120.8° | 120.1° |
| C18 | C19 | N20 | H16 | 120.8° | 120.0° |
| C19 | C18 | C17 | H2 | 53.2° | 62.3° |
| C19 | C18 | H13 | H14 | 118.3° | 120.1° |
| C18 | C19 | H15 | H16 | 117.4° | 120.0° |
| C38 | C29 | N30 | C28 | 180.0° | 180.0° |
| C38 | C29 | N30 | S31 | 115.7° | 35.7° |
| C38 | C29 | C28 | C27 | 0.1° | 0.5° |
| C38 | C29 | C28 | F39 | 179.9° | 180.0° |
| C38 | C29 | N30 | H34 | 122.7° | 144.3° |
| C23 | N20 | C21 | H3 | 8.1° | 57.6° |
| C23 | N20 | C21 | H4 | 110.2° | 177.6° |
| C23 | N20 | C19 | H15 | 110.0° | 177.6° |
| C23 | N20 | C19 | H16 | 8.3° | 57.7° |
| N20 | C23 | H17 | H18 | 120.0° | 120.0° |
| N20 | C23 | H17 | H19 | 120.0° | 120.0° |
| N20 | C23 | H18 | H19 | 119.9° | 120.0° |
| C19 | N20 | C21 | H3 | 117.7° | 178.3° |
| C19 | N20 | C21 | H4 | 124.0° | 58.3° |
| N20 | C19 | C18 | H13 | 151.0° | 179.1° |
| N20 | C19 | C18 | H14 | 90.1° | 60.8° |
| N20 | C19 | H15 | H16 | 117.5° | 119.9° |
| C19 | N20 | C23 | H17 | 48.4° | 175.8° |
| C19 | N20 | C23 | H18 | 71.6° | 55.8° |
| C19 | N20 | C23 | H19 | 168.5° | 64.2° |
| C26 | C27 | C28 | C29 | 0.1° | 0.6° |
| C26 | C27 | C28 | H20 | 180.0° | 179.9° |
| C26 | C27 | C28 | F39 | 180.0° | 180.0° |
| C29 | N30 | S31 | H34 | 121.6° | 180.0° |
| N30 | C29 | C28 | C27 | 179.9° | 179.4° |
| N30 | C29 | C28 | F39 | 0.2° | 0.0° |
| C29 | N30 | S31 | O37 | 168.6° | 178.5° |
| C29 | N30 | S31 | O36 | 80.3° | 50.7° |
| C29 | N30 | S31 | C32 | 44.2° | 65.4° |
| N30 | C29 | C38 | H30 | 0.3° | 0.3° |
| C28 | C29 | N30 | S31 | 64.3° | 144.2° |
| C29 | C28 | C27 | F39 | 179.9° | 179.4° |
| C29 | C28 | C27 | H20 | 179.9° | 179.5° |
| C28 | C29 | C38 | H30 | 179.7° | 179.7° |
| C28 | C29 | N30 | H34 | 57.4° | 35.7° |
| N30 | S31 | O37 | O36 | 117.3° | 116.8° |
| N30 | S31 | O37 | C32 | 126.0° | 111.7° |
| N30 | S31 | O36 | C32 | 126.0° | 111.7° |
| N30 | S31 | C32 | C34 | 40.7° | 180.0° |
| N30 | S31 | C32 | C35 | 80.6° | 60.0° |
| N30 | S31 | C32 | C33 | 159.7° | 60.0° |
| C28 | C27 | C26 | H7 | 179.4° | 180.0° |
| F39 | C28 | C27 | H20 | 0.0° | 0.1° |
| O37 | S31 | O36 | C32 | 116.6° | 131.5° |
| O37 | S31 | C32 | C34 | 84.1° | 68.4° |
| O37 | S31 | C32 | C35 | 154.7° | 51.6° |
| O37 | S31 | C32 | C33 | 35.0° | 171.6° |
| O37 | S31 | N30 | H34 | 69.8° | 1.5° |
| O36 | S31 | C32 | C34 | 165.3° | 68.4° |
| O36 | S31 | C32 | C35 | 44.1° | 171.7° |
| O36 | S31 | C32 | C33 | 75.6° | 51.6° |
| O36 | S31 | N30 | H34 | 41.4° | 129.3° |
| S31 | C32 | C34 | C35 | 121.3° | 120.0° |
| S31 | C32 | C34 | C33 | 119.1° | 120.0° |
| S31 | C32 | C35 | C33 | 119.1° | 120.0° |
| S31 | C32 | C33 | H21 | 180.0° | 180.0° |
| S31 | C32 | C33 | H22 | 60.0° | 60.0° |
| S31 | C32 | C33 | H23 | 60.0° | 60.0° |
| S31 | C32 | C34 | H24 | 180.0° | 60.0° |
| S31 | C32 | C34 | H25 | 60.0° | 60.0° |
| S31 | C32 | C34 | H26 | 60.0° | 180.0° |
| S31 | C32 | C35 | H27 | 180.0° | 60.0° |
| S31 | C32 | C35 | H28 | 60.0° | 59.9° |
| S31 | C32 | C35 | H29 | 60.0° | 180.0° |
| C32 | S31 | N30 | H34 | 165.8° | 114.6° |
| C34 | C32 | C35 | C33 | 118.9° | 120.0° |
| C34 | C32 | C33 | H21 | 59.5° | 59.9° |
| C34 | C32 | C33 | H22 | 179.5° | 60.0° |
| C34 | C32 | C33 | H23 | 60.6° | 180.0° |
| C32 | C34 | H24 | H25 | 120.0° | 120.0° |
| C32 | C34 | H24 | H26 | 120.0° | 120.1° |
| C32 | C34 | H25 | H26 | 120.0° | 120.0° |
| C34 | C32 | C35 | H27 | 58.0° | 180.0° |
| C34 | C32 | C35 | H28 | 62.0° | 60.0° |
| C34 | C32 | C35 | H29 | 178.0° | 60.0° |
| C35 | C32 | C33 | H21 | 60.2° | 60.0° |
| C35 | C32 | C33 | H22 | 59.8° | 180.0° |
| C35 | C32 | C33 | H23 | 179.8° | 60.1° |
| C35 | C32 | C34 | H24 | 58.7° | 60.0° |
| C35 | C32 | C34 | H25 | 178.7° | 180.0° |
| C35 | C32 | C34 | H26 | 61.3° | 60.1° |
| C32 | C35 | H27 | H28 | 120.0° | 120.0° |
| C32 | C35 | H27 | H29 | 120.0° | 120.0° |
| C32 | C35 | H28 | H29 | 120.0° | 120.1° |
| C32 | C33 | H21 | H22 | 120.0° | 120.0° |
| C32 | C33 | H21 | H23 | 120.0° | 120.0° |
| C32 | C33 | H22 | H23 | 120.0° | 119.9° |
| C33 | C32 | C34 | H24 | 60.9° | 180.0° |
| C33 | C32 | C34 | H25 | 59.1° | 60.0° |
| C33 | C32 | C34 | H26 | 179.1° | 59.9° |
| C33 | C32 | C35 | H27 | 60.9° | 60.0° |
| C33 | C32 | C35 | H28 | 179.1° | 180.0° |
| C33 | C32 | C35 | H29 | 59.1° | 60.0° |
| H2 | C17 | C22 | H5 | 67.6° | 177.7° |
| H2 | C17 | C22 | H6 | 173.4° | 57.7° |
| H2 | C17 | C18 | H13 | 67.3° | 57.6° |
| H2 | C17 | C18 | H14 | 173.8° | 177.8° |
| H3 | C21 | C22 | H5 | 87.6° | 59.2° |
| H3 | C21 | C22 | H6 | 31.3° | 60.9° |
| H4 | C21 | C22 | H5 | 30.7° | 179.1° |
| H4 | C21 | C22 | H6 | 149.6° | 59.1° |
| H7 | C26 | C27 | H20 | 0.6° | 0.1° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H13 | C18 | C19 | H15 | 30.2° | 59.1° |
| H13 | C18 | C19 | H16 | 88.1° | 60.9° |
| H14 | C18 | C19 | H15 | 149.1° | 179.3° |
| H14 | C18 | C19 | H16 | 30.8° | 59.2° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H21 | C33 | H22 | H23 | 120.0° | 120.1° |
| H24 | C34 | H25 | H26 | 120.0° | 120.0° |
| H27 | C35 | H28 | H29 | 120.0° | 119.9° |
