QN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | S9 | doub | 1.42Å | 1.47Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| I1 | C37 | sing | 2.09Å | 2.07Å | |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.55Å | |
| C34 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | S9 | sing | 1.76Å | 1.75Å | |
| C27 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| S9 | O11 | doub | 1.42Å | 1.47Å | |
| S9 | N32 | sing | 1.66Å | 1.69Å | |
| C39 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | N32 | sing | 1.46Å | 1.48Å | |
| C2 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| N32 | C24 | sing | 1.46Å | 1.46Å | |
| O10 | S8 | doub | 1.42Å | 1.43Å | |
| C24 | C23 | sing | 1.55Å | 1.56Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C23 | C21 | sing | 1.54Å | 1.57Å | |
| C23 | N28 | sing | 1.46Å | 1.46Å | |
| C25 | N22 | sing | 1.49Å | 1.48Å | |
| S8 | N28 | sing | 1.66Å | 1.73Å | |
| S8 | O41 | doub | 1.42Å | 1.45Å | |
| S8 | C26 | sing | 1.76Å | 1.78Å | |
| N22 | C21 | sing | 1.48Å | 1.46Å | |
| C19 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| N28 | C7 | sing | 1.47Å | 1.45Å | |
| C13 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | I2 | sing | 2.10Å | 2.05Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | S9 | C27 | 104.4° | 106.4° |
| O40 | S9 | O11 | 115.1° | 123.1° |
| O40 | S9 | N32 | 109.0° | 106.4° |
| C35 | C36 | C37 | 121.3° | 120.0° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C35 | C36 | H36 | 119.3° | 119.9° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C36 | C37 | I1 | 118.3° | 120.0° |
| C36 | C37 | C39 | 119.6° | 120.0° |
| C37 | C36 | H36 | 119.4° | 120.1° |
| I1 | C37 | C39 | 121.7° | 120.0° |
| C35 | C34 | C33 | 122.2° | 120.0° |
| C35 | C34 | C38 | 118.0° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C37 | C39 | C38 | 118.5° | 120.0° |
| C37 | C39 | H39 | 120.7° | 120.0° |
| C20 | C5 | C6 | 118.3° | 120.1° |
| C5 | C20 | C27 | 122.2° | 120.0° |
| C20 | C5 | H5 | 120.9° | 120.0° |
| C5 | C20 | H20 | 118.9° | 120.0° |
| C5 | C6 | C2 | 120.4° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | H5 | 120.9° | 120.0° |
| C20 | C27 | S9 | 124.1° | 120.0° |
| C20 | C27 | C18 | 119.1° | 120.0° |
| C27 | C20 | H20 | 118.9° | 120.0° |
| C33 | C34 | C38 | 119.8° | 120.0° |
| C34 | C33 | N32 | 113.8° | 109.4° |
| C34 | C33 | H331 | 108.1° | 109.4° |
| C34 | C33 | H332 | 107.1° | 109.5° |
| C34 | C38 | C39 | 122.3° | 120.0° |
| C34 | C38 | H38 | 118.8° | 120.0° |
| C6 | C2 | C18 | 120.5° | 119.9° |
| C6 | C2 | H2 | 119.7° | 120.0° |
| C2 | C6 | H6 | 119.8° | 120.0° |
| S9 | C27 | C18 | 116.8° | 120.0° |
| C27 | S9 | O11 | 108.2° | 106.4° |
| C27 | S9 | N32 | 114.6° | 107.2° |
| C27 | C18 | C2 | 119.4° | 120.0° |
| C27 | C18 | H18 | 120.3° | 120.0° |
| O11 | S9 | N32 | 105.8° | 106.4° |
| S9 | N32 | C33 | 119.4° | 120.0° |
| S9 | N32 | C24 | 118.1° | 120.0° |
| C39 | C38 | H38 | 118.9° | 120.0° |
| C38 | C39 | H39 | 120.8° | 120.0° |
| C33 | N32 | C24 | 122.3° | 120.0° |
| N32 | C33 | H331 | 108.1° | 109.5° |
| N32 | C33 | H332 | 107.1° | 109.5° |
| C2 | C18 | H18 | 120.3° | 120.0° |
| C18 | C2 | H2 | 119.7° | 120.1° |
| N32 | C24 | C23 | 109.8° | 110.7° |
| N32 | C24 | C25 | 120.3° | 110.7° |
| N32 | C24 | H24 | 99.5° | 110.8° |
| O10 | S8 | N28 | 110.1° | 106.4° |
| O10 | S8 | O41 | 122.9° | 123.1° |
| O10 | S8 | C26 | 108.7° | 106.4° |
| C23 | C24 | C25 | 102.2° | 102.9° |
| C24 | C23 | C21 | 105.9° | 105.1° |
| C24 | C23 | N28 | 116.9° | 110.3° |
| C24 | C23 | H23 | 106.5° | 110.4° |
| C23 | C24 | H24 | 118.5° | 110.7° |
| C24 | C25 | N22 | 106.0° | 103.2° |
| C25 | C24 | H24 | 107.5° | 110.7° |
| C24 | C25 | H251 | 110.7° | 110.7° |
| C24 | C25 | H252 | 111.4° | 110.7° |
| C21 | C23 | N28 | 107.9° | 110.3° |
| C23 | C21 | N22 | 106.6° | 107.0° |
| C21 | C23 | H23 | 115.7° | 110.3° |
| C23 | C21 | H211 | 110.5° | 109.9° |
| C23 | C21 | H212 | 111.1° | 109.9° |
| C23 | N28 | S8 | 119.2° | 120.0° |
| C23 | N28 | C7 | 121.2° | 120.0° |
| N28 | C23 | H23 | 104.5° | 110.3° |
| C25 | N22 | C21 | 107.0° | 105.8° |
| N22 | C25 | H251 | 110.6° | 110.7° |
| N22 | C25 | H252 | 111.4° | 110.7° |
| C25 | N22 | HN22 | 110.3° | 111.0° |
| N28 | S8 | O41 | 108.6° | 106.4° |
| N28 | S8 | C26 | 98.3° | 107.3° |
| S8 | N28 | C7 | 119.4° | 120.0° |
| O41 | S8 | C26 | 105.3° | 106.4° |
| S8 | C26 | C19 | 118.1° | 120.0° |
| S8 | C26 | C17 | 118.5° | 120.0° |
| C21 | N22 | HN22 | 110.3° | 111.0° |
| N22 | C21 | H211 | 110.4° | 109.9° |
| N22 | C21 | H212 | 111.0° | 109.9° |
| C26 | C19 | C3 | 115.3° | 120.0° |
| C19 | C26 | C17 | 123.4° | 120.0° |
| C26 | C19 | H19 | 122.4° | 120.0° |
| C19 | C3 | C4 | 121.4° | 120.0° |
| C3 | C19 | H19 | 122.3° | 120.0° |
| C19 | C3 | H3 | 119.3° | 119.9° |
| N28 | C7 | C12 | 119.9° | 109.5° |
| N28 | C7 | H71 | 106.1° | 109.5° |
| N28 | C7 | H72 | 103.7° | 109.5° |
| C29 | C13 | C12 | 119.9° | 120.0° |
| C13 | C29 | C31 | 119.5° | 119.9° |
| C13 | C29 | H29 | 120.3° | 120.0° |
| C29 | C13 | H13 | 120.1° | 120.0° |
| C13 | C12 | C7 | 124.8° | 120.0° |
| C13 | C12 | C14 | 119.1° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C29 | C31 | I2 | 119.1° | 120.0° |
| C29 | C31 | C30 | 121.8° | 120.0° |
| C31 | C29 | H29 | 120.2° | 120.0° |
| C26 | C17 | C1 | 120.8° | 120.0° |
| C26 | C17 | H17 | 119.6° | 120.0° |
| C3 | C4 | C1 | 122.4° | 120.0° |
| C4 | C3 | H3 | 119.3° | 120.1° |
| C3 | C4 | H4 | 118.8° | 120.0° |
| C7 | C12 | C14 | 115.9° | 120.0° |
| C12 | C7 | H71 | 106.2° | 109.4° |
| C12 | C7 | H72 | 103.7° | 109.5° |
| C12 | C14 | C30 | 121.2° | 120.0° |
| C12 | C14 | H14 | 119.4° | 120.0° |
| I2 | C31 | C30 | 118.7° | 120.0° |
| C31 | C30 | C14 | 117.7° | 120.0° |
| C31 | C30 | H30 | 121.1° | 120.0° |
| C17 | C1 | C4 | 116.5° | 120.0° |
| C17 | C1 | H1 | 121.8° | 120.0° |
| C1 | C17 | H17 | 119.6° | 120.0° |
| C4 | C1 | H1 | 121.7° | 120.0° |
| C1 | C4 | H4 | 118.8° | 120.0° |
| C30 | C14 | H14 | 119.4° | 120.0° |
| C14 | C30 | H30 | 121.1° | 120.0° |
| H71 | C7 | H72 | 118.0° | 109.5° |
| H331 | C33 | H332 | 112.9° | 109.5° |
| H251 | C25 | H252 | 106.8° | 110.7° |
| H211 | C21 | H212 | 107.3° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | S9 | C27 | C20 | 62.0° | 147.2° |
| O40 | S9 | C27 | O11 | 123.1° | 132.9° |
| O40 | S9 | C27 | N32 | 119.1° | 113.6° |
| O40 | S9 | C27 | C18 | 115.7° | 32.5° |
| O40 | S9 | O11 | N32 | 120.4° | 123.0° |
| O40 | S9 | N32 | C33 | 15.6° | 150.2° |
| O40 | S9 | N32 | C24 | 160.4° | 29.7° |
| C35 | C36 | C37 | H36 | 180.0° | 179.5° |
| C35 | C36 | C37 | I1 | 179.8° | 179.7° |
| C36 | C35 | C34 | H35 | 180.0° | 179.5° |
| C35 | C36 | C37 | C39 | 6.7° | 0.3° |
| C36 | C35 | C34 | C33 | 178.7° | 179.7° |
| C36 | C35 | C34 | C38 | 0.3° | 0.6° |
| C36 | C37 | I1 | C39 | 173.4° | 180.0° |
| C37 | C36 | C35 | C34 | 4.6° | 0.5° |
| C36 | C37 | C39 | C38 | 4.5° | 0.0° |
| C36 | C37 | C39 | H39 | 175.5° | 180.0° |
| C37 | C36 | C35 | H35 | 175.5° | 180.0° |
| I1 | C37 | C39 | C38 | 177.8° | 180.0° |
| I1 | C37 | C39 | H39 | 2.2° | 0.0° |
| I1 | C37 | C36 | H36 | 0.2° | 0.2° |
| C35 | C34 | C33 | C38 | 179.0° | 179.7° |
| C35 | C34 | C38 | C39 | 1.8° | 0.3° |
| C35 | C34 | C33 | N32 | 56.0° | 100.5° |
| C35 | C34 | C33 | H331 | 64.0° | 139.5° |
| C35 | C34 | C33 | H332 | 174.1° | 19.5° |
| C35 | C34 | C38 | H38 | 178.2° | 179.7° |
| C34 | C35 | C36 | H36 | 175.4° | 180.0° |
| C37 | C39 | C38 | C34 | 0.3° | 0.1° |
| C37 | C39 | C38 | H39 | 180.0° | 180.0° |
| C37 | C39 | C38 | H38 | 179.7° | 180.0° |
| C39 | C37 | C36 | H36 | 173.3° | 179.7° |
| C20 | C5 | C6 | H5 | 180.0° | 179.3° |
| C5 | C20 | C27 | H20 | 180.0° | 179.4° |
| C20 | C5 | C6 | C2 | 0.7° | 0.3° |
| C5 | C20 | C27 | S9 | 178.6° | 179.7° |
| C5 | C20 | C27 | C18 | 3.7° | 0.6° |
| C20 | C5 | C6 | H6 | 179.3° | 179.7° |
| C6 | C5 | C20 | C27 | 3.2° | 0.6° |
| C5 | C6 | C2 | H6 | 180.0° | 180.0° |
| C5 | C6 | C2 | C18 | 1.3° | 0.0° |
| C5 | C6 | C2 | H2 | 178.7° | 179.9° |
| C6 | C5 | C20 | H20 | 176.8° | 180.0° |
| C20 | C27 | S9 | C18 | 177.8° | 179.7° |
| C20 | C27 | S9 | O11 | 174.9° | 14.3° |
| C20 | C27 | S9 | N32 | 57.1° | 99.3° |
| C20 | C27 | C18 | C2 | 1.7° | 0.3° |
| C20 | C27 | C18 | H18 | 178.4° | 179.7° |
| C27 | C20 | C5 | H5 | 176.8° | 180.0° |
| C34 | C33 | N32 | S9 | 93.4° | 91.3° |
| C33 | C34 | C38 | C39 | 179.2° | 180.0° |
| C34 | C33 | N32 | H331 | 120.0° | 120.0° |
| C34 | C33 | N32 | H332 | 118.1° | 120.0° |
| C34 | C33 | N32 | C24 | 82.4° | 88.8° |
| C34 | C33 | H331 | H332 | 118.2° | 120.0° |
| C33 | C34 | C38 | H38 | 0.8° | 0.0° |
| C33 | C34 | C35 | H35 | 1.3° | 0.2° |
| C34 | C38 | C39 | H38 | 180.0° | 179.9° |
| C38 | C34 | C33 | N32 | 123.0° | 79.8° |
| C38 | C34 | C33 | H331 | 117.0° | 40.2° |
| C38 | C34 | C33 | H332 | 4.9° | 160.2° |
| C34 | C38 | C39 | H39 | 179.7° | 179.9° |
| C38 | C34 | C35 | H35 | 179.7° | 179.9° |
| C6 | C2 | C18 | C27 | 0.8° | 0.0° |
| C6 | C2 | C18 | H2 | 180.0° | 179.9° |
| C6 | C2 | C18 | H18 | 179.2° | 180.0° |
| C2 | C6 | C5 | H5 | 179.3° | 179.6° |
| C27 | S9 | O11 | N32 | 123.2° | 114.1° |
| C27 | S9 | N32 | C33 | 101.0° | 96.2° |
| S9 | C27 | C18 | C2 | 179.5° | 180.0° |
| C27 | S9 | N32 | C24 | 83.1° | 83.8° |
| S9 | C27 | C18 | H18 | 0.5° | 0.0° |
| S9 | C27 | C20 | H20 | 1.4° | 0.3° |
| C18 | C27 | S9 | O11 | 7.3° | 165.4° |
| C18 | C27 | S9 | N32 | 125.1° | 81.0° |
| C27 | C18 | C2 | H18 | 180.0° | 179.9° |
| C27 | C18 | C2 | H2 | 179.2° | 179.9° |
| C18 | C27 | C20 | H20 | 176.3° | 180.0° |
| O11 | S9 | N32 | C33 | 139.9° | 17.3° |
| O11 | S9 | N32 | C24 | 36.1° | 162.7° |
| S9 | N32 | C33 | C24 | 175.8° | 179.9° |
| S9 | N32 | C24 | C23 | 103.3° | 123.1° |
| S9 | N32 | C24 | C25 | 138.6° | 123.4° |
| S9 | N32 | C24 | H24 | 21.7° | 0.2° |
| S9 | N32 | C33 | H331 | 26.6° | 28.7° |
| S9 | N32 | C33 | H332 | 148.5° | 148.8° |
| C33 | N32 | C24 | C23 | 72.5° | 56.8° |
| C33 | N32 | C24 | C25 | 45.6° | 56.6° |
| C33 | N32 | C24 | H24 | 162.5° | 179.9° |
| N32 | C33 | H331 | H332 | 118.2° | 120.1° |
| C18 | C2 | C6 | H6 | 178.7° | 180.0° |
| N32 | C24 | C23 | C25 | 128.8° | 118.3° |
| N32 | C24 | C23 | H24 | 113.3° | 123.3° |
| N32 | C24 | C25 | H24 | 112.7° | 123.3° |
| N32 | C24 | C23 | C21 | 108.8° | 140.3° |
| N32 | C24 | C23 | N28 | 131.0° | 100.8° |
| N32 | C24 | C25 | N22 | 88.4° | 155.8° |
| N32 | C24 | C23 | H23 | 14.8° | 21.3° |
| C24 | N32 | C33 | H331 | 157.6° | 151.2° |
| C24 | N32 | C33 | H332 | 35.7° | 31.2° |
| N32 | C24 | C25 | H251 | 151.6° | 85.8° |
| N32 | C24 | C25 | H252 | 32.9° | 37.3° |
| O10 | S8 | N28 | C23 | 18.7° | 162.9° |
| O10 | S8 | N28 | O41 | 137.3° | 132.9° |
| O10 | S8 | N28 | C26 | 113.4° | 113.6° |
| O10 | S8 | O41 | C26 | 125.0° | 123.0° |
| O10 | S8 | C26 | C19 | 22.9° | 156.5° |
| O10 | S8 | N28 | C7 | 166.1° | 17.1° |
| O10 | S8 | C26 | C17 | 157.0° | 23.6° |
| C23 | C24 | C25 | H24 | 125.4° | 118.4° |
| C24 | C23 | C21 | N28 | 125.8° | 118.9° |
| C24 | C23 | C21 | H23 | 117.7° | 119.0° |
| C24 | C23 | N28 | H23 | 117.3° | 122.2° |
| C23 | C24 | C25 | N22 | 33.4° | 37.4° |
| C24 | C23 | N28 | S8 | 133.3° | 130.4° |
| C24 | C23 | C21 | N22 | 0.2° | 1.2° |
| C24 | C23 | N28 | C7 | 51.6° | 49.6° |
| C23 | C24 | C25 | H251 | 86.6° | 155.9° |
| C23 | C24 | C25 | H252 | 154.8° | 81.1° |
| C24 | C23 | C21 | H211 | 120.2° | 118.1° |
| C24 | C23 | C21 | H212 | 120.9° | 120.5° |
| C25 | C24 | C23 | C21 | 20.0° | 22.0° |
| C25 | C24 | C23 | N28 | 100.2° | 140.9° |
| C24 | C25 | N22 | H251 | 120.0° | 118.4° |
| C24 | C25 | N22 | H252 | 121.3° | 118.5° |
| C24 | C25 | N22 | C21 | 35.2° | 39.2° |
| C25 | C24 | C23 | H23 | 143.6° | 97.0° |
| C24 | C25 | H251 | H252 | 121.4° | 123.1° |
| C24 | C25 | N22 | HN22 | 155.1° | 81.3° |
| C21 | C23 | N28 | H23 | 123.6° | 122.1° |
| C23 | C21 | N22 | C25 | 21.5° | 25.3° |
| C21 | C23 | N28 | S8 | 107.6° | 113.9° |
| C23 | C21 | N22 | H211 | 120.0° | 119.3° |
| C23 | C21 | N22 | H212 | 121.1° | 119.4° |
| C21 | C23 | N28 | C7 | 67.5° | 66.2° |
| C21 | C23 | C24 | H24 | 137.8° | 96.4° |
| C23 | C21 | N22 | HN22 | 141.5° | 95.2° |
| C23 | C21 | H211 | H212 | 121.2° | 121.3° |
| C23 | N28 | S8 | C7 | 175.2° | 180.0° |
| C23 | N28 | S8 | O41 | 156.0° | 30.1° |
| C23 | N28 | S8 | C26 | 94.7° | 83.5° |
| N28 | C23 | C21 | N22 | 126.0° | 117.7° |
| C23 | N28 | C7 | C12 | 93.5° | 88.8° |
| C23 | N28 | C7 | H71 | 26.6° | 151.3° |
| C23 | N28 | C7 | H72 | 151.6° | 31.3° |
| N28 | C23 | C24 | H24 | 17.7° | 22.5° |
| N28 | C23 | C21 | H211 | 114.0° | 123.0° |
| N28 | C23 | C21 | H212 | 4.9° | 1.6° |
| C25 | N22 | C21 | HN22 | 120.0° | 120.6° |
| N22 | C25 | C24 | H24 | 158.9° | 80.9° |
| N22 | C25 | H251 | H252 | 121.4° | 123.1° |
| C25 | N22 | C21 | H211 | 141.5° | 94.0° |
| C25 | N22 | C21 | H212 | 99.7° | 144.7° |
| N28 | S8 | O41 | C26 | 104.4° | 114.1° |
| N28 | S8 | C26 | C19 | 91.7° | 90.0° |
| N28 | S8 | C26 | C17 | 88.4° | 90.0° |
| S8 | N28 | C7 | C12 | 91.4° | 91.3° |
| S8 | N28 | C7 | H71 | 148.5° | 28.7° |
| S8 | N28 | C7 | H72 | 23.5° | 148.7° |
| S8 | N28 | C23 | H23 | 16.0° | 8.2° |
| O41 | S8 | C26 | C19 | 156.3° | 23.6° |
| O41 | S8 | N28 | C7 | 28.8° | 150.0° |
| O41 | S8 | C26 | C17 | 23.6° | 156.5° |
| S8 | C26 | C19 | C17 | 179.9° | 179.9° |
| S8 | C26 | C19 | C3 | 179.9° | 180.0° |
| C26 | S8 | N28 | C7 | 80.5° | 96.4° |
| S8 | C26 | C17 | C1 | 177.0° | 179.9° |
| S8 | C26 | C17 | H17 | 3.0° | 0.1° |
| S8 | C26 | C19 | H19 | 0.1° | 0.1° |
| N22 | C21 | C23 | H23 | 117.5° | 120.2° |
| C21 | N22 | C25 | H251 | 84.8° | 157.7° |
| C21 | N22 | C25 | H252 | 156.5° | 79.2° |
| N22 | C21 | H211 | H212 | 121.1° | 121.2° |
| C26 | C19 | C3 | H19 | 180.0° | 179.9° |
| C26 | C19 | C3 | C4 | 1.8° | 0.3° |
| C19 | C26 | C17 | C1 | 3.1° | 0.1° |
| C19 | C26 | C17 | H17 | 176.9° | 180.0° |
| C26 | C19 | C3 | H3 | 178.2° | 179.9° |
| C3 | C19 | C26 | C17 | 0.0° | 0.1° |
| C19 | C3 | C4 | H3 | 180.0° | 179.8° |
| C19 | C3 | C4 | C1 | 0.6° | 0.5° |
| C19 | C3 | C4 | H4 | 179.4° | 180.0° |
| N28 | C7 | C12 | C13 | 21.8° | 102.7° |
| N28 | C7 | C12 | H71 | 120.0° | 120.0° |
| N28 | C7 | C12 | H72 | 114.9° | 120.0° |
| N28 | C7 | C12 | C14 | 153.6° | 77.6° |
| N28 | C7 | H71 | H72 | 115.7° | 120.0° |
| C7 | N28 | C23 | H23 | 168.9° | 171.7° |
| C29 | C13 | C12 | H13 | 180.0° | 179.5° |
| C13 | C29 | C31 | H29 | 180.0° | 179.7° |
| C29 | C13 | C12 | C7 | 178.2° | 179.7° |
| C29 | C13 | C12 | C14 | 2.9° | 0.6° |
| C13 | C29 | C31 | I2 | 172.2° | 179.7° |
| C13 | C29 | C31 | C30 | 0.9° | 0.2° |
| C12 | C13 | C29 | C31 | 1.9° | 0.6° |
| C13 | C12 | C7 | C14 | 175.4° | 179.7° |
| C13 | C12 | C14 | C30 | 9.0° | 0.3° |
| C13 | C12 | C7 | H71 | 141.8° | 137.3° |
| C13 | C12 | C7 | H72 | 93.1° | 17.3° |
| C13 | C12 | C14 | H14 | 171.0° | 179.7° |
| C12 | C13 | C29 | H29 | 178.1° | 179.7° |
| C29 | C31 | I2 | C30 | 173.4° | 179.9° |
| C29 | C31 | C30 | C14 | 4.9° | 0.0° |
| C29 | C31 | C30 | H30 | 175.1° | 180.0° |
| C31 | C29 | C13 | H13 | 178.1° | 180.0° |
| C26 | C17 | C1 | H17 | 180.0° | 179.9° |
| C26 | C17 | C1 | C4 | 4.1° | 0.4° |
| C26 | C17 | C1 | H1 | 175.9° | 180.0° |
| C17 | C26 | C19 | H19 | 180.0° | 180.0° |
| C3 | C4 | C1 | C17 | 2.4° | 0.6° |
| C3 | C4 | C1 | H4 | 180.0° | 179.5° |
| C3 | C4 | C1 | H1 | 177.6° | 179.8° |
| C4 | C3 | C19 | H19 | 178.2° | 179.8° |
| C7 | C12 | C14 | C30 | 175.3° | 180.0° |
| C12 | C7 | H71 | H72 | 115.7° | 120.0° |
| C7 | C12 | C14 | H14 | 4.7° | 0.0° |
| C7 | C12 | C13 | H13 | 1.8° | 0.3° |
| C12 | C14 | C30 | C31 | 9.8° | 0.0° |
| C12 | C14 | C30 | H14 | 180.0° | 180.0° |
| C14 | C12 | C7 | H71 | 33.6° | 42.4° |
| C14 | C12 | C7 | H72 | 91.5° | 162.4° |
| C12 | C14 | C30 | H30 | 170.1° | 179.9° |
| C14 | C12 | C13 | H13 | 177.1° | 179.9° |
| I2 | C31 | C30 | C14 | 178.1° | 180.0° |
| I2 | C31 | C30 | H30 | 1.9° | 0.1° |
| I2 | C31 | C29 | H29 | 7.8° | 0.0° |
| C31 | C30 | C14 | H30 | 180.0° | 179.9° |
| C31 | C30 | C14 | H14 | 170.2° | 180.0° |
| C30 | C31 | C29 | H29 | 179.1° | 180.0° |
| C17 | C1 | C4 | H1 | 180.0° | 179.7° |
| C17 | C1 | C4 | H4 | 177.6° | 179.9° |
| C4 | C1 | C17 | H17 | 175.9° | 179.7° |
| C1 | C4 | C3 | H3 | 179.4° | 179.7° |
| H1 | C1 | C17 | H17 | 4.1° | 0.1° |
| H1 | C1 | C4 | H4 | 2.3° | 0.3° |
| H19 | C19 | C3 | H3 | 1.8° | 0.0° |
| H3 | C3 | C4 | H4 | 0.6° | 0.2° |
| H14 | C14 | C30 | H30 | 9.9° | 0.1° |
| H29 | C29 | C13 | H13 | 1.9° | 0.2° |
| H23 | C23 | C24 | H24 | 98.5° | 144.6° |
| H23 | C23 | C21 | H211 | 2.5° | 0.9° |
| H23 | C23 | C21 | H212 | 121.4° | 120.5° |
| H24 | C24 | C25 | H251 | 38.9° | 37.5° |
| H24 | C24 | C25 | H252 | 79.8° | 160.6° |
| H18 | C18 | C2 | H2 | 0.8° | 0.0° |
| H2 | C2 | C6 | H6 | 1.3° | 0.0° |
| H6 | C6 | C5 | H5 | 0.7° | 0.4° |
| H5 | C5 | C20 | H20 | 3.2° | 0.6° |
| H38 | C38 | C39 | H39 | 0.3° | 0.0° |
| H36 | C36 | C35 | H35 | 4.5° | 0.5° |
| H251 | C25 | N22 | HN22 | 35.1° | 37.1° |
| H252 | C25 | N22 | HN22 | 83.5° | 160.2° |
| HN22 | N22 | C21 | H211 | 98.5° | 145.5° |
| HN22 | N22 | C21 | H212 | 20.3° | 24.1° |
