W7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | S2 | sing | 1.81Å | 1.82Å | |
| O1 | S2 | doub | 1.42Å | 1.41Å | |
| S2 | O3 | doub | 1.42Å | 1.42Å | |
| S2 | N7 | sing | 1.66Å | 1.66Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| N7 | N11 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| N11 | C10 | doub | 1.31Å | 1.30Å | Aromatic |
| C25 | C22 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | doub | 1.37Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.48Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| C12 | N13 | doub | 1.33Å | 1.33Å | Aromatic |
| C12 | N38 | sing | 1.33Å | 1.34Å | Aromatic |
| N21 | C20 | sing | 1.38Å | 1.41Å | |
| N13 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| N38 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C27 | sing | 1.41Å | 1.45Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| O31 | C30 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.40Å | |
| C30 | C27 | sing | 1.47Å | 1.50Å | |
| C30 | N32 | sing | 1.35Å | 1.37Å | |
| C27 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C33 | N32 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C18 | N17 | sing | 1.39Å | 1.41Å | |
| C18 | N29 | doub | 1.33Å | 1.34Å | Aromatic |
| C28 | N29 | sing | 1.32Å | 1.33Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | F36 | sing | 1.40Å | 1.40Å | |
| C35 | F37 | sing | 1.40Å | 1.40Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| N17 | H26 | sing | 0.97Å | 1.00Å | |
| N21 | H27 | sing | 0.97Å | 1.00Å | |
| N32 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C4 | 60.1° | 60.0° |
| C6 | C5 | C4 | 60.1° | 60.0° |
| C6 | C5 | H2 | 120.0° | 117.5° |
| C6 | C5 | H3 | 120.0° | 117.5° |
| C5 | C6 | H4 | 120.0° | 117.5° |
| C5 | C6 | H5 | 120.0° | 117.5° |
| C6 | C4 | C5 | 59.8° | 60.1° |
| C6 | C4 | S2 | 116.1° | 117.5° |
| C6 | C4 | H1 | 118.4° | 117.5° |
| C4 | C6 | H4 | 120.0° | 117.5° |
| C4 | C6 | H5 | 120.0° | 117.5° |
| C5 | C4 | S2 | 120.3° | 117.5° |
| C5 | C4 | H1 | 118.4° | 117.5° |
| C4 | C5 | H2 | 120.0° | 117.5° |
| C4 | C5 | H3 | 120.0° | 117.6° |
| C4 | S2 | O1 | 108.5° | 110.6° |
| C4 | S2 | O3 | 111.8° | 110.5° |
| C4 | S2 | N7 | 106.2° | 104.5° |
| S2 | C4 | H1 | 113.6° | 115.5° |
| O1 | S2 | O3 | 121.2° | 121.0° |
| O1 | S2 | N7 | 102.1° | 104.3° |
| O3 | S2 | N7 | 105.5° | 104.2° |
| S2 | N7 | N11 | 126.0° | 125.8° |
| S2 | N7 | C8 | 126.0° | 125.8° |
| C26 | C25 | C22 | 114.4° | 109.5° |
| C26 | C25 | H20 | 108.3° | 109.4° |
| C26 | C25 | H21 | 108.2° | 109.5° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.4° |
| N11 | N7 | C8 | 108.1° | 108.3° |
| N7 | N11 | C10 | 108.9° | 108.5° |
| N7 | C8 | C9 | 107.5° | 107.6° |
| N7 | C8 | H6 | 126.3° | 126.3° |
| N11 | C10 | C9 | 107.5° | 108.1° |
| N11 | C10 | H17 | 126.2° | 126.0° |
| C25 | C22 | C24 | 114.2° | 109.5° |
| C25 | C22 | N21 | 105.8° | 109.5° |
| C25 | C22 | H19 | 108.4° | 109.5° |
| C22 | C25 | H20 | 108.2° | 109.5° |
| C22 | C25 | H21 | 108.2° | 109.5° |
| C8 | C9 | C10 | 108.0° | 107.5° |
| C8 | C9 | C12 | 125.6° | 126.2° |
| C9 | C8 | H6 | 126.3° | 126.2° |
| C10 | C9 | C12 | 126.3° | 126.3° |
| C9 | C10 | H17 | 126.2° | 126.0° |
| C9 | C12 | N13 | 118.3° | 119.2° |
| C9 | C12 | N38 | 120.5° | 119.2° |
| C24 | C22 | N21 | 110.8° | 109.5° |
| C22 | C24 | H9 | 109.5° | 109.5° |
| C22 | C24 | H10 | 109.5° | 109.5° |
| C22 | C24 | H11 | 109.4° | 109.5° |
| C24 | C22 | H19 | 108.4° | 109.5° |
| C22 | N21 | C20 | 125.7° | 120.0° |
| N21 | C22 | H19 | 109.2° | 109.5° |
| C22 | N21 | H27 | 105.3° | 120.0° |
| N13 | C12 | N38 | 121.2° | 121.6° |
| C12 | N13 | C14 | 119.9° | 120.9° |
| C12 | N38 | C16 | 122.6° | 120.6° |
| N21 | C20 | C19 | 122.1° | 120.9° |
| N21 | C20 | C27 | 120.3° | 120.9° |
| C20 | N21 | H27 | 105.2° | 120.0° |
| N13 | C14 | C15 | 120.7° | 119.3° |
| N13 | C14 | H18 | 119.7° | 120.3° |
| N38 | C16 | C15 | 116.6° | 119.1° |
| N38 | C16 | N17 | 124.0° | 120.5° |
| C14 | C15 | C16 | 119.0° | 118.5° |
| C14 | C15 | H7 | 120.5° | 120.7° |
| C15 | C14 | H18 | 119.7° | 120.4° |
| C19 | C20 | C27 | 117.6° | 118.2° |
| C20 | C19 | C18 | 121.9° | 119.1° |
| C20 | C19 | H8 | 119.0° | 120.4° |
| C20 | C27 | C30 | 123.6° | 120.5° |
| C20 | C27 | C28 | 116.4° | 118.9° |
| C19 | C18 | N17 | 126.2° | 119.4° |
| C19 | C18 | N29 | 117.6° | 121.1° |
| C18 | C19 | H8 | 119.1° | 120.5° |
| O31 | C30 | C27 | 116.5° | 120.0° |
| O31 | C30 | N32 | 119.9° | 120.0° |
| C15 | C16 | N17 | 119.4° | 120.5° |
| C16 | C15 | H7 | 120.5° | 120.7° |
| C16 | N17 | C18 | 128.7° | 120.0° |
| C16 | N17 | H26 | 115.7° | 120.0° |
| C27 | C30 | N32 | 123.5° | 120.0° |
| C30 | C27 | C28 | 120.0° | 120.6° |
| C30 | N32 | C33 | 124.3° | 120.0° |
| C30 | N32 | H28 | 117.8° | 120.0° |
| C27 | C28 | N29 | 122.8° | 120.7° |
| C27 | C28 | H25 | 118.6° | 119.6° |
| N32 | C33 | C34 | 115.0° | 109.5° |
| N32 | C33 | H12 | 108.1° | 109.4° |
| N32 | C33 | H13 | 108.1° | 109.5° |
| C33 | N32 | H28 | 117.8° | 119.9° |
| C33 | C34 | C35 | 116.7° | 109.5° |
| C34 | C33 | H12 | 108.1° | 109.5° |
| C34 | C33 | H13 | 108.1° | 109.5° |
| C33 | C34 | H14 | 107.6° | 109.5° |
| C33 | C34 | H15 | 107.6° | 109.5° |
| N17 | C18 | N29 | 116.2° | 119.5° |
| C18 | N17 | H26 | 115.7° | 120.0° |
| C18 | N29 | C28 | 123.7° | 122.0° |
| N29 | C28 | H25 | 118.6° | 119.7° |
| C34 | C35 | F36 | 111.3° | 109.5° |
| C34 | C35 | F37 | 108.7° | 109.5° |
| C35 | C34 | H14 | 107.6° | 109.5° |
| C35 | C34 | H15 | 107.6° | 109.5° |
| C34 | C35 | H16 | 107.9° | 109.5° |
| F36 | C35 | F37 | 109.3° | 109.4° |
| F36 | C35 | H16 | 109.8° | 109.4° |
| F37 | C35 | H16 | 109.7° | 109.5° |
| H2 | C5 | H3 | 109.5° | 115.5° |
| H4 | C6 | H5 | 109.4° | 115.5° |
| H9 | C24 | H10 | 109.4° | 109.4° |
| H9 | C24 | H11 | 109.5° | 109.4° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.4° |
| H14 | C34 | H15 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C4 | H4 | 109.5° | 107.5° |
| C5 | C6 | C4 | H5 | 109.5° | 107.5° |
| C6 | C5 | C4 | H2 | 109.5° | 107.5° |
| C6 | C5 | C4 | H3 | 109.5° | 107.5° |
| C5 | C6 | C4 | S2 | 111.4° | 107.5° |
| C5 | C6 | C4 | H1 | 108.1° | 107.5° |
| C6 | C5 | H2 | H3 | 144.7° | 145.7° |
| C5 | C6 | H4 | H5 | 144.7° | 145.6° |
| C6 | C4 | S2 | H1 | 142.3° | 145.7° |
| C6 | C4 | S2 | O1 | 58.6° | 137.1° |
| C6 | C4 | S2 | O3 | 77.6° | 0.4° |
| C6 | C4 | S2 | N7 | 167.7° | 111.2° |
| C4 | C6 | H4 | H5 | 144.7° | 145.7° |
| C5 | C4 | S2 | H1 | 148.9° | 145.6° |
| C5 | C4 | S2 | O1 | 127.4° | 68.4° |
| C5 | C4 | S2 | O3 | 8.8° | 68.4° |
| C5 | C4 | S2 | N7 | 123.5° | 179.9° |
| C4 | C5 | H2 | H3 | 144.7° | 145.8° |
| C4 | S2 | O1 | O3 | 131.3° | 131.6° |
| C4 | S2 | O1 | N7 | 111.9° | 111.8° |
| C4 | S2 | O3 | N7 | 115.1° | 111.7° |
| C4 | S2 | N7 | N11 | 98.3° | 90.0° |
| C4 | S2 | N7 | C8 | 81.7° | 89.6° |
| S2 | C4 | C5 | H2 | 146.1° | 0.1° |
| S2 | C4 | C5 | H3 | 5.0° | 145.0° |
| S2 | C4 | C6 | H4 | 1.9° | 145.0° |
| S2 | C4 | C6 | H5 | 139.1° | 0.0° |
| O1 | S2 | O3 | N7 | 115.0° | 116.7° |
| O1 | S2 | N7 | N11 | 15.2° | 26.2° |
| O1 | S2 | N7 | C8 | 164.8° | 154.2° |
| O1 | S2 | C4 | H1 | 83.7° | 77.2° |
| O3 | S2 | N7 | N11 | 142.8° | 154.0° |
| O3 | S2 | N7 | C8 | 37.2° | 26.4° |
| O3 | S2 | C4 | H1 | 140.0° | 146.0° |
| S2 | N7 | N11 | C8 | 180.0° | 179.6° |
| S2 | N7 | N11 | C10 | 179.9° | 180.0° |
| S2 | N7 | C8 | C9 | 179.7° | 179.7° |
| N7 | S2 | C4 | H1 | 25.4° | 34.4° |
| S2 | N7 | C8 | H6 | 0.3° | 0.1° |
| C26 | C25 | C22 | H20 | 120.7° | 119.9° |
| C26 | C25 | C22 | H21 | 120.7° | 120.0° |
| C26 | C25 | C22 | C24 | 55.6° | 174.9° |
| C26 | C25 | C22 | N21 | 66.5° | 65.0° |
| C26 | C25 | C22 | H19 | 176.5° | 55.0° |
| C26 | C25 | H20 | H21 | 117.8° | 120.0° |
| C25 | C26 | H22 | H23 | 120.0° | 120.1° |
| C25 | C26 | H22 | H24 | 120.0° | 119.9° |
| C25 | C26 | H23 | H24 | 120.0° | 120.0° |
| N11 | N7 | C8 | C9 | 0.3° | 0.0° |
| N7 | N11 | C10 | C9 | 0.4° | 0.5° |
| N11 | N7 | C8 | H6 | 179.7° | 179.8° |
| N7 | N11 | C10 | H17 | 179.6° | 180.0° |
| C8 | N7 | N11 | C10 | 0.1° | 0.3° |
| N7 | C8 | C9 | H6 | 180.0° | 179.8° |
| N7 | C8 | C9 | C10 | 0.5° | 0.2° |
| N7 | C8 | C9 | C12 | 178.8° | 179.7° |
| N11 | C10 | C9 | C8 | 0.6° | 0.4° |
| N11 | C10 | C9 | H17 | 180.0° | 179.5° |
| N11 | C10 | C9 | C12 | 178.8° | 179.5° |
| C25 | C22 | C24 | N21 | 119.3° | 120.0° |
| C25 | C22 | C24 | H19 | 120.9° | 120.0° |
| C25 | C22 | N21 | H19 | 116.4° | 120.0° |
| C25 | C22 | N21 | C20 | 93.1° | 155.0° |
| C25 | C22 | C24 | H9 | 180.0° | 180.0° |
| C25 | C22 | C24 | H10 | 60.0° | 60.0° |
| C25 | C22 | C24 | H11 | 60.0° | 60.0° |
| C22 | C25 | H20 | H21 | 117.7° | 120.0° |
| C22 | C25 | C26 | H22 | 180.0° | 60.0° |
| C22 | C25 | C26 | H23 | 60.0° | 180.0° |
| C22 | C25 | C26 | H24 | 60.0° | 60.0° |
| C25 | C22 | N21 | H27 | 29.1° | 25.0° |
| C8 | C9 | C10 | C12 | 178.3° | 180.0° |
| C8 | C9 | C12 | N13 | 153.6° | 0.0° |
| C8 | C9 | C12 | N38 | 25.5° | 179.8° |
| C8 | C9 | C10 | H17 | 179.4° | 180.0° |
| C10 | C9 | C12 | N13 | 24.4° | 180.0° |
| C10 | C9 | C12 | N38 | 156.6° | 0.3° |
| C10 | C9 | C8 | H6 | 179.5° | 180.0° |
| C9 | C12 | N13 | N38 | 179.1° | 179.8° |
| C9 | C12 | N13 | C14 | 179.4° | 179.7° |
| C9 | C12 | N38 | C16 | 178.5° | 179.7° |
| C12 | C9 | C8 | H6 | 1.2° | 0.1° |
| C12 | C9 | C10 | H17 | 1.2° | 0.0° |
| C24 | C22 | N21 | H19 | 119.3° | 120.0° |
| C24 | C22 | N21 | C20 | 142.6° | 85.0° |
| C22 | C24 | H9 | H10 | 120.0° | 120.0° |
| C22 | C24 | H9 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C22 | C25 | H20 | 65.1° | 55.0° |
| C24 | C22 | C25 | H21 | 176.3° | 65.0° |
| C24 | C22 | N21 | H27 | 95.2° | 95.0° |
| C22 | N21 | C20 | H27 | 122.2° | 180.0° |
| C22 | N21 | C20 | C19 | 10.9° | 5.4° |
| C22 | N21 | C20 | C27 | 169.4° | 174.5° |
| N21 | C22 | C24 | H9 | 60.6° | 60.0° |
| N21 | C22 | C24 | H10 | 59.4° | 60.0° |
| N21 | C22 | C24 | H11 | 179.3° | 180.0° |
| N21 | C22 | C25 | H20 | 172.7° | 175.0° |
| N21 | C22 | C25 | H21 | 54.2° | 55.0° |
| N13 | C12 | N38 | C16 | 0.5° | 0.0° |
| C12 | N13 | C14 | C15 | 0.5° | 0.0° |
| C12 | N13 | C14 | H18 | 179.6° | 180.0° |
| N38 | C12 | N13 | C14 | 0.3° | 0.0° |
| C12 | N38 | C16 | C15 | 1.1° | 0.0° |
| C12 | N38 | C16 | N17 | 179.8° | 180.0° |
| N21 | C20 | C19 | C27 | 179.7° | 179.9° |
| N21 | C20 | C19 | C18 | 179.9° | 180.0° |
| N21 | C20 | C27 | C30 | 0.3° | 0.0° |
| N21 | C20 | C27 | C28 | 179.0° | 179.7° |
| N21 | C20 | C19 | H8 | 0.1° | 0.0° |
| C20 | N21 | C22 | H19 | 23.4° | 35.0° |
| N13 | C14 | C15 | H18 | 180.0° | 180.0° |
| N13 | C14 | C15 | C16 | 0.2° | 0.0° |
| N13 | C14 | C15 | H7 | 179.8° | 180.0° |
| N38 | C16 | C15 | C14 | 0.9° | 0.0° |
| N38 | C16 | C15 | N17 | 178.7° | 180.0° |
| N38 | C16 | N17 | C18 | 33.3° | 5.2° |
| N38 | C16 | C15 | H7 | 179.0° | 180.0° |
| N38 | C16 | N17 | H26 | 146.7° | 174.9° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | N17 | 179.7° | 180.0° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C19 | C20 | C27 | C30 | 180.0° | 179.9° |
| C19 | C20 | C27 | C28 | 1.3° | 0.2° |
| C20 | C19 | C18 | N17 | 179.6° | 180.0° |
| C20 | C19 | C18 | N29 | 0.3° | 0.3° |
| C19 | C20 | N21 | H27 | 111.3° | 174.5° |
| C27 | C20 | C19 | C18 | 0.4° | 0.1° |
| C20 | C27 | C30 | O31 | 27.1° | 6.1° |
| C20 | C27 | C30 | C28 | 178.7° | 179.7° |
| C20 | C27 | C30 | N32 | 151.2° | 173.9° |
| C20 | C27 | C28 | N29 | 1.8° | 0.3° |
| C27 | C20 | C19 | H8 | 179.7° | 180.0° |
| C20 | C27 | C28 | H25 | 178.2° | 179.7° |
| C27 | C20 | N21 | H27 | 68.4° | 5.5° |
| C19 | C18 | N17 | C16 | 22.2° | 174.9° |
| C19 | C18 | N17 | N29 | 179.3° | 179.7° |
| C19 | C18 | N29 | C28 | 0.1° | 0.2° |
| C19 | C18 | N17 | H26 | 157.8° | 5.1° |
| O31 | C30 | C27 | N32 | 178.2° | 180.0° |
| O31 | C30 | C27 | C28 | 151.6° | 174.2° |
| O31 | C30 | N32 | C33 | 1.1° | 0.1° |
| O31 | C30 | N32 | H28 | 178.9° | 180.0° |
| C15 | C16 | N17 | C18 | 148.1° | 174.8° |
| C16 | C15 | C14 | H18 | 179.8° | 180.0° |
| C15 | C16 | N17 | H26 | 31.9° | 5.1° |
| C16 | N17 | C18 | H26 | 180.0° | 180.0° |
| C16 | N17 | C18 | N29 | 158.6° | 5.5° |
| N17 | C16 | C15 | H7 | 0.3° | 0.0° |
| C27 | C30 | N32 | C33 | 179.3° | 180.0° |
| C30 | C27 | C28 | N29 | 179.5° | 180.0° |
| C30 | C27 | C28 | H25 | 0.5° | 0.1° |
| C27 | C30 | N32 | H28 | 0.7° | 0.0° |
| N32 | C30 | C27 | C28 | 30.2° | 5.8° |
| C30 | N32 | C33 | H28 | 180.0° | 180.0° |
| C30 | N32 | C33 | C34 | 101.2° | 180.0° |
| C30 | N32 | C33 | H12 | 138.0° | 60.0° |
| C30 | N32 | C33 | H13 | 19.6° | 59.9° |
| C27 | C28 | N29 | C18 | 1.2° | 0.1° |
| C27 | C28 | N29 | H25 | 180.0° | 180.0° |
| N32 | C33 | C34 | H12 | 120.8° | 120.0° |
| N32 | C33 | C34 | H13 | 120.8° | 120.1° |
| N32 | C33 | C34 | C35 | 30.0° | 180.0° |
| N32 | C33 | H12 | H13 | 117.5° | 119.9° |
| N32 | C33 | C34 | H14 | 151.1° | 60.0° |
| N32 | C33 | C34 | H15 | 91.0° | 60.0° |
| C33 | C34 | C35 | H14 | 121.0° | 120.0° |
| C33 | C34 | C35 | H15 | 121.1° | 120.0° |
| C33 | C34 | C35 | F36 | 53.8° | 175.0° |
| C33 | C34 | C35 | F37 | 174.3° | 65.0° |
| C34 | C33 | H12 | H13 | 117.5° | 120.0° |
| C33 | C34 | H14 | H15 | 116.7° | 120.0° |
| C33 | C34 | C35 | H16 | 66.7° | 55.0° |
| C34 | C33 | N32 | H28 | 78.8° | 0.0° |
| N17 | C18 | N29 | C28 | 179.3° | 179.9° |
| N17 | C18 | C19 | H8 | 0.4° | 0.1° |
| N29 | C18 | C19 | H8 | 179.7° | 179.7° |
| C18 | N29 | C28 | H25 | 178.8° | 180.0° |
| N29 | C18 | N17 | H26 | 21.4° | 174.6° |
| C34 | C35 | F36 | F37 | 120.1° | 120.0° |
| C34 | C35 | F36 | H16 | 119.4° | 120.0° |
| C34 | C35 | F37 | H16 | 117.8° | 120.0° |
| C35 | C34 | C33 | H12 | 90.8° | 60.0° |
| C35 | C34 | C33 | H13 | 150.8° | 60.0° |
| C35 | C34 | H14 | H15 | 116.7° | 120.0° |
| F36 | C35 | F37 | H16 | 120.5° | 119.9° |
| F36 | C35 | C34 | H14 | 174.9° | 55.0° |
| F36 | C35 | C34 | H15 | 67.2° | 65.0° |
| F37 | C35 | C34 | H14 | 64.6° | 175.0° |
| F37 | C35 | C34 | H15 | 53.3° | 55.0° |
| H1 | C4 | C5 | H2 | 1.4° | 145.0° |
| H1 | C4 | C5 | H3 | 142.4° | 0.1° |
| H1 | C4 | C6 | H4 | 142.4° | 0.0° |
| H1 | C4 | C6 | H5 | 1.4° | 145.0° |
| H2 | C5 | C6 | H4 | 141.0° | 145.0° |
| H2 | C5 | C6 | H5 | 0.0° | 0.0° |
| H3 | C5 | C6 | H4 | 0.0° | 0.0° |
| H3 | C5 | C6 | H5 | 141.0° | 145.0° |
| H7 | C15 | C14 | H18 | 0.2° | 0.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H9 | C24 | C22 | H19 | 59.1° | 60.0° |
| H10 | C24 | C22 | H19 | 179.1° | NaN° |
| H11 | C24 | C22 | H19 | 60.9° | 59.9° |
| H12 | C33 | C34 | H14 | 30.3° | 60.0° |
| H12 | C33 | C34 | H15 | 148.2° | 180.0° |
| H12 | C33 | N32 | H28 | 42.0° | 120.1° |
| H13 | C33 | C34 | H14 | 88.1° | 180.0° |
| H13 | C33 | C34 | H15 | 29.8° | 60.0° |
| H13 | C33 | N32 | H28 | 160.4° | 120.0° |
| H14 | C34 | C35 | H16 | 54.3° | 65.0° |
| H15 | C34 | C35 | H16 | 172.2° | 175.0° |
| H19 | C22 | C25 | H20 | 55.7° | 65.0° |
| H19 | C22 | C25 | H21 | 62.8° | 175.0° |
| H19 | C22 | N21 | H27 | 145.5° | 145.0° |
| H20 | C25 | C26 | H22 | 59.3° | 60.0° |
| H20 | C25 | C26 | H23 | 60.7° | 60.0° |
| H20 | C25 | C26 | H24 | 179.3° | NaN° |
| H21 | C25 | C26 | H22 | 59.3° | 180.0° |
| H21 | C25 | C26 | H23 | 179.3° | 60.0° |
| H21 | C25 | C26 | H24 | 60.7° | 60.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
