S7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O08 | C07 | doub | 1.21Å | 1.23Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C14 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C14 | C12 | sing | 1.51Å | 1.54Å | |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| C07 | N06 | sing | 1.35Å | 1.50Å | |
| C07 | C09 | sing | 1.51Å | 1.57Å | |
| N11 | C12 | sing | 1.35Å | 1.42Å | |
| N11 | C09 | sing | 1.46Å | 1.45Å | |
| N06 | C05 | sing | 1.47Å | 1.46Å | |
| C16 | N15 | sing | 1.35Å | 1.50Å | |
| C16 | O18 | sing | 1.35Å | 1.44Å | |
| C12 | O13 | doub | 1.21Å | 1.21Å | |
| O18 | C19 | sing | 1.45Å | 1.45Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C05 | C29 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C29 | O31 | doub | 1.21Å | 1.21Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C03 | S02 | sing | 1.81Å | 1.77Å | |
| C01 | S02 | sing | 1.81Å | 1.79Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N06 | H31 | sing | 0.97Å | 1.00Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N15 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C26 | C27 | 112.0° | 109.5° |
| C28 | C26 | C14 | 113.0° | 109.5° |
| C28 | C26 | H7 | 106.7° | 109.5° |
| C26 | C28 | H8 | 109.5° | 109.5° |
| C26 | C28 | H9 | 109.5° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.4° |
| C27 | C26 | C14 | 111.1° | 109.4° |
| C27 | C26 | H7 | 106.6° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.4° |
| C26 | C27 | H26 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| O08 | C07 | N06 | 116.9° | 120.0° |
| O08 | C07 | C09 | 116.0° | 119.9° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C23 | C24 | H6 | 120.2° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C24 | C25 | C20 | 119.8° | 120.0° |
| C25 | C24 | H6 | 120.1° | 119.9° |
| C24 | C25 | H24 | 120.1° | 120.1° |
| C26 | C14 | N15 | 110.0° | 109.5° |
| C26 | C14 | C12 | 108.1° | 109.5° |
| C14 | C26 | H7 | 106.9° | 109.5° |
| C26 | C14 | H20 | 109.7° | 109.5° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H5 | 120.1° | 120.0° |
| C22 | C23 | H23 | 119.7° | 119.9° |
| C25 | C20 | C21 | 120.7° | 120.0° |
| C25 | C20 | C19 | 118.7° | 120.0° |
| C20 | C25 | H24 | 120.1° | 119.9° |
| N15 | C14 | C12 | 109.5° | 109.4° |
| C14 | N15 | C16 | 122.7° | 120.0° |
| N15 | C14 | H20 | 110.2° | 109.4° |
| C14 | N15 | H33 | 118.7° | 120.0° |
| C14 | C12 | N11 | 119.4° | 120.0° |
| C14 | C12 | O13 | 119.3° | 120.0° |
| C12 | C14 | H20 | 109.2° | 109.5° |
| O17 | C16 | N15 | 120.0° | 120.0° |
| O17 | C16 | O18 | 119.0° | 120.0° |
| N06 | C07 | C09 | 127.1° | 120.0° |
| C07 | N06 | C05 | 133.5° | 120.0° |
| C07 | N06 | H31 | 113.2° | 120.0° |
| C07 | C09 | N11 | 107.7° | 109.5° |
| C07 | C09 | C10 | 109.9° | 109.4° |
| C07 | C09 | H19 | 108.8° | 109.4° |
| C12 | N11 | C09 | 122.1° | 120.0° |
| N11 | C12 | O13 | 121.4° | 120.0° |
| C12 | N11 | H32 | 118.9° | 120.0° |
| N11 | C09 | C10 | 110.6° | 109.5° |
| N11 | C09 | H19 | 110.5° | 109.5° |
| C09 | N11 | H32 | 118.9° | 120.0° |
| N06 | C05 | C29 | 108.4° | 109.5° |
| N06 | C05 | C04 | 118.3° | 109.5° |
| N06 | C05 | H18 | 107.1° | 109.5° |
| C05 | N06 | H31 | 113.2° | 120.0° |
| N15 | C16 | O18 | 120.9° | 120.0° |
| C16 | N15 | H33 | 118.6° | 120.0° |
| C16 | O18 | C19 | 113.4° | 117.0° |
| O18 | C19 | C20 | 106.8° | 109.5° |
| O18 | C19 | H21 | 110.1° | 109.4° |
| O18 | C19 | H22 | 110.1° | 109.5° |
| C22 | C21 | C20 | 119.5° | 120.0° |
| C22 | C21 | H4 | 120.2° | 120.0° |
| C21 | C22 | H5 | 120.1° | 120.0° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.4° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C10 | C09 | H19 | 109.3° | 109.4° |
| C21 | C20 | C19 | 120.7° | 120.0° |
| C20 | C21 | H4 | 120.2° | 120.0° |
| C20 | C19 | H21 | 110.2° | 109.5° |
| C20 | C19 | H22 | 110.1° | 109.5° |
| C30 | C29 | C05 | 117.6° | 120.0° |
| C30 | C29 | O31 | 120.8° | 120.0° |
| C29 | C30 | H28 | 109.5° | 109.4° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C05 | C04 | 109.8° | 109.5° |
| C05 | C29 | O31 | 121.6° | 120.0° |
| C29 | C05 | H18 | 106.3° | 109.5° |
| C05 | C04 | C03 | 109.0° | 109.5° |
| C05 | C04 | H16 | 109.6° | 109.4° |
| C05 | C04 | H17 | 109.6° | 109.5° |
| C04 | C05 | H18 | 106.3° | 109.5° |
| C04 | C03 | S02 | 108.0° | 109.5° |
| C04 | C03 | H14 | 109.8° | 109.5° |
| C04 | C03 | H15 | 109.8° | 109.4° |
| C03 | C04 | H16 | 109.6° | 109.5° |
| C03 | C04 | H17 | 109.6° | 109.5° |
| C03 | S02 | C01 | 108.5° | 103.0° |
| S02 | C03 | H14 | 109.8° | 109.5° |
| S02 | C03 | H15 | 109.8° | 109.5° |
| S02 | C01 | H11 | 109.5° | 109.5° |
| S02 | C01 | H12 | 109.5° | 109.5° |
| S02 | C01 | H13 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.4° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.4° | 109.6° |
| H8 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H25 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.4° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C26 | C27 | C14 | 127.5° | 120.0° |
| C28 | C26 | C27 | H7 | 116.3° | 120.0° |
| C28 | C26 | C14 | H7 | 117.1° | 120.0° |
| C28 | C26 | C14 | N15 | 163.8° | 60.0° |
| C28 | C26 | C14 | C12 | 76.7° | 60.0° |
| C26 | C28 | H8 | H9 | 120.0° | 120.0° |
| C26 | C28 | H8 | H10 | 120.0° | 120.0° |
| C26 | C28 | H9 | H10 | 120.0° | 120.0° |
| C28 | C26 | C14 | H20 | 42.3° | 180.0° |
| C28 | C26 | C27 | H25 | 180.0° | 60.1° |
| C28 | C26 | C27 | H26 | 60.0° | 180.0° |
| C28 | C26 | C27 | H27 | 60.0° | 60.0° |
| C27 | C26 | C14 | H7 | 115.9° | 120.0° |
| C27 | C26 | C14 | N15 | 36.8° | 60.0° |
| C27 | C26 | C14 | C12 | 156.3° | 180.0° |
| C27 | C26 | C28 | H8 | 180.0° | 179.9° |
| C27 | C26 | C28 | H9 | 60.0° | 60.0° |
| C27 | C26 | C28 | H10 | 60.0° | 60.0° |
| C27 | C26 | C14 | H20 | 84.6° | 60.0° |
| C26 | C27 | H25 | H26 | 120.0° | 119.9° |
| C26 | C27 | H25 | H27 | 120.0° | 120.0° |
| C26 | C27 | H26 | H27 | 120.0° | 120.1° |
| O08 | C07 | N06 | C09 | 178.9° | 180.0° |
| O08 | C07 | C09 | N11 | 34.2° | 0.0° |
| O08 | C07 | N06 | C05 | 179.4° | 0.0° |
| O08 | C07 | C09 | C10 | 86.3° | 120.0° |
| O08 | C07 | C09 | H19 | 154.0° | 120.0° |
| O08 | C07 | N06 | H31 | 0.6° | 180.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C24 | C23 | C22 | H23 | 180.0° | 179.7° |
| C23 | C24 | C25 | C20 | 0.2° | 0.5° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H5 | 179.8° | 180.0° |
| C23 | C24 | C25 | H24 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.3° |
| C24 | C25 | C20 | H24 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.1° | 0.5° |
| C24 | C25 | C20 | C19 | 179.9° | 179.8° |
| C25 | C24 | C23 | H23 | 179.7° | 180.0° |
| C26 | C14 | N15 | C12 | 118.7° | 120.0° |
| C26 | C14 | N15 | H20 | 121.1° | 120.0° |
| C26 | C14 | C12 | H20 | 119.4° | 120.0° |
| C26 | C14 | C12 | N11 | 77.4° | 60.0° |
| C26 | C14 | N15 | C16 | 105.3° | 85.0° |
| C26 | C14 | C12 | O13 | 101.7° | 120.0° |
| C14 | C26 | C28 | H8 | 53.5° | 60.0° |
| C14 | C26 | C28 | H9 | 66.5° | 179.9° |
| C14 | C26 | C28 | H10 | 173.5° | 60.0° |
| C14 | C26 | C27 | H25 | 52.5° | 180.0° |
| C14 | C26 | C27 | H26 | 172.5° | 60.1° |
| C14 | C26 | C27 | H27 | 67.5° | 60.0° |
| C26 | C14 | N15 | H33 | 74.7° | 95.0° |
| C23 | C22 | C21 | H5 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C23 | C22 | C21 | H4 | 179.9° | 179.9° |
| C22 | C23 | C24 | H6 | 179.7° | 180.0° |
| C25 | C20 | C19 | O18 | 17.6° | 89.7° |
| C25 | C20 | C21 | C22 | 0.0° | 0.2° |
| C25 | C20 | C21 | C19 | 179.8° | 179.8° |
| C25 | C20 | C21 | H4 | 180.0° | 179.7° |
| C20 | C25 | C24 | H6 | 179.8° | 179.8° |
| C25 | C20 | C19 | H21 | 137.2° | 30.2° |
| C25 | C20 | C19 | H22 | 102.0° | 150.2° |
| N15 | C14 | C12 | H20 | 120.8° | 119.9° |
| C14 | N15 | C16 | O17 | 98.7° | 0.0° |
| N15 | C14 | C12 | N11 | 162.8° | 180.0° |
| C14 | N15 | C16 | H33 | 180.0° | 180.0° |
| C14 | N15 | C16 | O18 | 82.1° | 180.0° |
| N15 | C14 | C12 | O13 | 18.1° | 0.0° |
| N15 | C14 | C26 | H7 | 79.1° | 180.0° |
| C14 | C12 | N11 | O13 | 179.1° | 180.0° |
| C14 | C12 | N11 | C09 | 179.2° | 180.0° |
| C12 | C14 | N15 | C16 | 136.1° | 155.0° |
| C12 | C14 | C26 | H7 | 40.4° | 60.0° |
| C14 | C12 | N11 | H32 | 0.9° | 0.0° |
| C12 | C14 | N15 | H33 | 43.9° | 25.0° |
| O17 | C16 | N15 | O18 | 179.1° | 180.0° |
| O17 | C16 | O18 | C19 | 55.4° | 0.0° |
| O17 | C16 | N15 | H33 | 81.3° | 180.0° |
| N06 | C07 | C09 | N11 | 146.8° | 180.0° |
| C07 | N06 | C05 | H31 | 180.0° | 179.9° |
| N06 | C07 | C09 | C10 | 92.6° | 60.0° |
| C07 | N06 | C05 | C29 | 142.2° | 85.0° |
| C07 | N06 | C05 | C04 | 16.5° | 155.0° |
| C07 | N06 | C05 | H18 | 103.5° | 35.0° |
| N06 | C07 | C09 | H19 | 27.0° | 59.9° |
| C07 | C09 | N11 | C12 | 173.7° | 155.0° |
| C07 | C09 | N11 | C10 | 120.1° | 120.0° |
| C07 | C09 | N11 | H19 | 118.8° | 120.0° |
| C09 | C07 | N06 | C05 | 1.7° | 180.0° |
| C07 | C09 | C10 | H19 | 119.3° | 119.9° |
| C07 | C09 | C10 | H1 | 180.0° | 60.0° |
| C07 | C09 | C10 | H2 | 60.0° | 180.0° |
| C07 | C09 | C10 | H3 | 60.0° | 59.9° |
| C09 | C07 | N06 | H31 | 178.3° | 0.1° |
| C07 | C09 | N11 | H32 | 6.3° | 25.0° |
| C12 | N11 | C09 | H32 | 180.0° | 180.0° |
| C12 | N11 | C09 | C10 | 66.2° | 85.0° |
| C12 | N11 | C09 | H19 | 54.9° | 35.0° |
| N11 | C12 | C14 | H20 | 42.0° | 60.0° |
| C09 | N11 | C12 | O13 | 0.0° | 0.0° |
| N11 | C09 | C10 | H19 | 121.9° | 120.1° |
| N11 | C09 | C10 | H1 | 61.2° | 60.0° |
| N11 | C09 | C10 | H2 | 178.8° | 60.0° |
| N11 | C09 | C10 | H3 | 58.8° | 180.0° |
| N06 | C05 | C29 | C30 | 81.9° | 160.0° |
| N06 | C05 | C29 | C04 | 130.6° | 120.0° |
| N06 | C05 | C29 | H18 | 114.8° | 120.0° |
| N06 | C05 | C04 | H18 | 120.3° | 120.0° |
| N06 | C05 | C29 | O31 | 98.0° | 20.0° |
| N06 | C05 | C04 | C03 | 104.1° | 65.0° |
| N06 | C05 | C04 | H16 | 136.0° | 55.0° |
| N06 | C05 | C04 | H17 | 15.8° | 175.0° |
| N15 | C16 | O18 | C19 | 123.7° | 180.0° |
| C16 | N15 | C14 | H20 | 15.9° | 35.1° |
| C16 | O18 | C19 | C20 | 116.2° | 180.0° |
| C16 | O18 | C19 | H21 | 124.2° | 60.0° |
| C16 | O18 | C19 | H22 | 3.4° | 60.0° |
| O18 | C16 | N15 | H33 | 97.8° | 0.0° |
| O13 | C12 | C14 | H20 | 138.9° | 120.0° |
| O13 | C12 | N11 | H32 | 180.0° | 180.0° |
| O18 | C19 | C20 | C21 | 162.6° | 90.1° |
| O18 | C19 | C20 | H21 | 119.6° | 120.0° |
| O18 | C19 | C20 | H22 | 119.6° | 120.1° |
| O18 | C19 | H21 | H22 | 121.2° | 120.0° |
| C22 | C21 | C20 | H4 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 179.8° | 179.9° |
| C21 | C22 | C23 | H23 | 179.8° | 179.7° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.1° |
| C10 | C09 | N11 | H32 | 113.8° | 95.0° |
| C20 | C21 | C22 | H5 | 179.9° | 179.9° |
| C21 | C20 | C19 | H21 | 43.0° | 150.0° |
| C21 | C20 | C19 | H22 | 77.8° | 30.0° |
| C21 | C20 | C25 | H24 | 179.9° | 180.0° |
| C19 | C20 | C21 | H4 | 0.2° | 0.1° |
| C20 | C19 | H21 | H22 | 121.3° | 120.0° |
| C19 | C20 | C25 | H24 | 0.1° | 0.3° |
| C30 | C29 | C05 | O31 | 179.9° | 180.0° |
| C30 | C29 | C05 | C04 | 147.6° | 80.0° |
| C30 | C29 | C05 | H18 | 33.0° | 40.0° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H30 | 120.0° | 119.9° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C29 | C05 | C04 | H18 | 114.6° | 120.0° |
| C29 | C05 | C04 | C03 | 130.8° | 175.0° |
| C29 | C05 | C04 | H16 | 10.9° | 65.0° |
| C29 | C05 | C04 | H17 | 109.3° | 55.0° |
| C05 | C29 | C30 | H28 | 179.9° | 0.1° |
| C05 | C29 | C30 | H29 | 60.1° | 120.0° |
| C05 | C29 | C30 | H30 | 59.9° | 120.0° |
| C29 | C05 | N06 | H31 | 37.8° | 95.0° |
| C04 | C05 | C29 | O31 | 32.5° | 100.0° |
| C05 | C04 | C03 | H16 | 119.9° | 120.0° |
| C05 | C04 | C03 | H17 | 119.9° | 120.1° |
| C05 | C04 | C03 | S02 | 171.8° | 180.0° |
| C05 | C04 | C03 | H14 | 52.0° | 60.0° |
| C05 | C04 | C03 | H15 | 68.4° | 60.0° |
| C05 | C04 | H16 | H17 | 120.3° | 120.0° |
| C04 | C05 | N06 | H31 | 163.5° | 25.1° |
| O31 | C29 | C05 | H18 | 147.1° | 140.0° |
| O31 | C29 | C30 | H28 | 0.0° | 180.0° |
| O31 | C29 | C30 | H29 | 120.0° | 60.0° |
| O31 | C29 | C30 | H30 | 120.0° | 60.0° |
| C04 | C03 | S02 | H14 | 119.8° | 120.0° |
| C04 | C03 | S02 | H15 | 119.8° | 120.0° |
| C04 | C03 | S02 | C01 | 110.8° | 180.0° |
| C04 | C03 | H14 | H15 | 120.7° | 120.0° |
| C03 | C04 | H16 | H17 | 120.2° | 120.0° |
| C03 | C04 | C05 | H18 | 16.2° | 55.0° |
| C03 | S02 | C01 | H11 | 180.0° | 180.0° |
| C03 | S02 | C01 | H12 | 60.0° | 60.0° |
| C03 | S02 | C01 | H13 | 60.0° | 60.0° |
| S02 | C03 | H14 | H15 | 120.7° | 120.0° |
| S02 | C03 | C04 | H16 | 68.3° | 60.0° |
| S02 | C03 | C04 | H17 | 51.9° | 60.0° |
| S02 | C01 | H11 | H12 | 120.0° | 120.0° |
| S02 | C01 | H11 | H13 | 120.0° | 120.0° |
| S02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | S02 | C03 | H14 | 8.9° | 60.0° |
| C01 | S02 | C03 | H15 | 129.4° | 60.0° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H1 | C10 | C09 | H19 | 60.6° | 180.0° |
| H2 | C10 | C09 | H19 | 59.3° | 60.1° |
| H3 | C10 | C09 | H19 | 179.4° | 60.0° |
| H4 | C21 | C22 | H5 | 0.1° | 0.1° |
| H5 | C22 | C23 | H23 | 0.3° | 0.3° |
| H6 | C24 | C23 | H23 | 0.3° | 0.3° |
| H6 | C24 | C25 | H24 | 0.3° | 0.3° |
| H7 | C26 | C28 | H8 | 63.7° | 60.0° |
| H7 | C26 | C28 | H9 | 176.3° | 60.1° |
| H7 | C26 | C28 | H10 | 56.3° | 180.0° |
| H7 | C26 | C14 | H20 | 159.4° | 60.0° |
| H7 | C26 | C27 | H25 | 63.7° | 60.0° |
| H7 | C26 | C27 | H26 | 56.4° | 59.9° |
| H7 | C26 | C27 | H27 | 176.3° | NaN° |
| H8 | C28 | H9 | H10 | 120.0° | 120.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | C04 | H16 | 172.0° | 60.0° |
| H14 | C03 | C04 | H17 | 67.9° | 180.0° |
| H15 | C03 | C04 | H16 | 51.5° | 180.0° |
| H15 | C03 | C04 | H17 | 171.7° | 60.1° |
| H16 | C04 | C05 | H18 | 103.7° | 175.0° |
| H17 | C04 | C05 | H18 | 136.1° | 65.0° |
| H18 | C05 | N06 | H31 | 76.5° | 145.0° |
| H19 | C09 | N11 | H32 | 125.1° | 145.0° |
| H20 | C14 | N15 | H33 | 164.1° | 145.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
