QN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | S8 | doub | 1.42Å | 1.46Å | |
| C29 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| C13 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C26 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C7 | sing | 1.51Å | 1.55Å | |
| C12 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| S8 | C26 | sing | 1.76Å | 1.80Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| S8 | N28 | sing | 1.66Å | 1.74Å | |
| C7 | N28 | sing | 1.46Å | 1.49Å | |
| C26 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| N28 | C23 | sing | 1.46Å | 1.50Å | |
| CL3 | C20 | sing | 1.74Å | 1.72Å | |
| O11 | S9 | doub | 1.42Å | 1.46Å | |
| C23 | C24 | sing | 1.55Å | 1.58Å | |
| C23 | C21 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | sing | 1.54Å | 1.56Å | |
| C24 | N32 | sing | 1.47Å | 1.50Å | |
| C21 | N22 | sing | 1.49Å | 1.48Å | |
| N22 | C25 | sing | 1.48Å | 1.48Å | |
| C20 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| S9 | N32 | sing | 1.66Å | 1.78Å | |
| S9 | C27 | sing | 1.76Å | 1.82Å | |
| S9 | O40 | doub | 1.42Å | 1.46Å | |
| N32 | C33 | sing | 1.46Å | 1.48Å | |
| C36 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C37 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.53Å | |
| C34 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | S8 | C26 | 104.5° | 106.4° |
| O41 | S8 | O10 | 116.5° | 123.2° |
| O41 | S8 | N28 | 107.6° | 106.4° |
| C13 | C29 | C31 | 120.1° | 120.0° |
| C29 | C13 | C12 | 120.7° | 120.0° |
| C29 | C13 | H13 | 119.7° | 120.0° |
| C13 | C29 | H29 | 120.0° | 120.0° |
| C29 | C31 | C30 | 119.8° | 120.0° |
| C31 | C29 | H29 | 120.0° | 120.0° |
| C29 | C31 | H31 | 120.1° | 120.0° |
| CL1 | C17 | C1 | 117.9° | 120.0° |
| CL1 | C17 | C26 | 122.1° | 120.0° |
| C13 | C12 | C7 | 120.4° | 120.0° |
| C13 | C12 | C14 | 118.7° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C31 | C30 | C14 | 119.9° | 120.0° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C1 | C17 | C26 | 120.1° | 120.0° |
| C17 | C1 | C4 | 120.4° | 119.9° |
| C17 | C1 | H1 | 119.8° | 120.0° |
| C17 | C26 | S8 | 123.2° | 120.0° |
| C17 | C26 | C19 | 118.7° | 120.0° |
| C7 | C12 | C14 | 120.9° | 120.0° |
| C12 | C7 | N28 | 114.9° | 109.5° |
| C12 | C7 | H71 | 107.7° | 109.5° |
| C12 | C7 | H72 | 106.4° | 109.5° |
| C12 | C14 | C30 | 120.9° | 120.0° |
| C12 | C14 | H14 | 119.6° | 120.0° |
| C14 | C30 | H30 | 120.0° | 120.0° |
| C30 | C14 | H14 | 119.6° | 120.0° |
| C1 | C4 | C3 | 119.8° | 120.0° |
| C1 | C4 | H4 | 120.1° | 120.0° |
| C4 | C1 | H1 | 119.8° | 120.0° |
| C26 | S8 | O10 | 109.3° | 106.4° |
| C26 | S8 | N28 | 111.8° | 107.2° |
| S8 | C26 | C19 | 118.1° | 120.0° |
| O10 | S8 | N28 | 107.1° | 106.4° |
| S8 | N28 | C7 | 118.1° | 120.0° |
| S8 | N28 | C23 | 118.3° | 120.0° |
| C7 | N28 | C23 | 123.6° | 120.0° |
| N28 | C7 | H71 | 107.7° | 109.4° |
| N28 | C7 | H72 | 106.4° | 109.5° |
| C26 | C19 | C3 | 121.2° | 120.0° |
| C26 | C19 | H19 | 119.4° | 120.0° |
| C4 | C3 | C19 | 119.9° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C3 | C19 | H19 | 119.4° | 120.0° |
| C19 | C3 | H3 | 120.0° | 120.0° |
| N28 | C23 | C24 | 112.7° | 110.7° |
| N28 | C23 | C21 | 116.5° | 110.7° |
| N28 | C23 | H23 | 100.1° | 110.8° |
| CL3 | C20 | C5 | 117.3° | 120.0° |
| CL3 | C20 | C27 | 122.4° | 120.1° |
| O11 | S9 | N32 | 105.2° | 106.4° |
| O11 | S9 | C27 | 112.8° | 106.4° |
| O11 | S9 | O40 | 124.7° | 123.2° |
| C24 | C23 | C21 | 102.6° | 103.0° |
| C23 | C24 | C25 | 105.8° | 105.1° |
| C23 | C24 | N32 | 115.7° | 110.3° |
| C23 | C24 | H24 | 109.1° | 110.4° |
| C24 | C23 | H23 | 114.7° | 110.7° |
| C23 | C21 | N22 | 105.9° | 103.2° |
| C21 | C23 | H23 | 110.8° | 110.7° |
| C23 | C21 | H211 | 110.7° | 110.7° |
| C23 | C21 | H212 | 111.4° | 110.6° |
| C25 | C24 | N32 | 113.2° | 110.3° |
| C24 | C25 | N22 | 107.1° | 107.0° |
| C25 | C24 | H24 | 111.9° | 110.2° |
| C24 | C25 | H251 | 110.3° | 109.9° |
| C24 | C25 | H252 | 110.8° | 109.9° |
| C24 | N32 | S9 | 115.5° | 120.0° |
| C24 | N32 | C33 | 124.1° | 120.0° |
| N32 | C24 | H24 | 101.1° | 110.3° |
| C21 | N22 | C25 | 107.7° | 105.9° |
| N22 | C21 | H211 | 110.7° | 110.7° |
| N22 | C21 | H212 | 111.4° | 110.7° |
| C21 | N22 | HN22 | 110.1° | 111.0° |
| C25 | N22 | HN22 | 110.0° | 111.1° |
| N22 | C25 | H251 | 110.3° | 110.0° |
| N22 | C25 | H252 | 110.8° | 109.9° |
| C5 | C20 | C27 | 120.3° | 119.9° |
| C20 | C5 | C6 | 120.9° | 120.0° |
| C20 | C5 | H5 | 119.6° | 120.0° |
| C20 | C27 | S9 | 126.9° | 120.0° |
| C20 | C27 | C18 | 117.7° | 120.0° |
| N32 | S9 | C27 | 96.7° | 107.2° |
| N32 | S9 | O40 | 112.6° | 106.4° |
| S9 | N32 | C33 | 120.4° | 120.0° |
| C27 | S9 | O40 | 101.4° | 106.4° |
| S9 | C27 | C18 | 115.4° | 120.0° |
| N32 | C33 | C34 | 119.5° | 109.5° |
| N32 | C33 | H331 | 106.3° | 109.5° |
| N32 | C33 | H332 | 103.9° | 109.5° |
| C35 | C36 | C37 | 120.5° | 120.0° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
| C36 | C37 | C39 | 119.6° | 120.0° |
| C37 | C36 | H36 | 119.8° | 120.1° |
| C36 | C37 | H37 | 120.2° | 119.9° |
| C5 | C6 | C2 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C35 | C34 | C33 | 121.7° | 120.0° |
| C35 | C34 | C38 | 119.4° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C27 | C18 | C2 | 121.6° | 120.0° |
| C27 | C18 | H18 | 119.2° | 120.0° |
| C37 | C39 | C38 | 119.7° | 120.0° |
| C39 | C37 | H37 | 120.2° | 120.0° |
| C37 | C39 | H39 | 120.1° | 120.0° |
| C33 | C34 | C38 | 119.0° | 120.0° |
| C34 | C33 | H331 | 106.2° | 109.4° |
| C34 | C33 | H332 | 103.9° | 109.4° |
| C34 | C38 | C39 | 120.8° | 120.0° |
| C34 | C38 | H38 | 119.6° | 120.0° |
| C6 | C2 | C18 | 119.8° | 120.1° |
| C6 | C2 | H2 | 120.1° | 120.0° |
| C2 | C6 | H6 | 120.2° | 120.0° |
| C18 | C2 | H2 | 120.1° | 120.0° |
| C2 | C18 | H18 | 119.2° | 120.0° |
| C38 | C39 | H39 | 120.2° | 120.0° |
| C39 | C38 | H38 | 119.6° | 120.0° |
| H71 | C7 | H72 | 113.9° | 109.4° |
| H211 | C21 | H212 | 106.8° | 110.7° |
| H251 | C25 | H252 | 107.6° | 110.1° |
| H331 | C33 | H332 | 117.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | S8 | C26 | C17 | 50.8° | 43.6° |
| O41 | S8 | C26 | O10 | 125.5° | 132.9° |
| O41 | S8 | C26 | N28 | 116.1° | 113.5° |
| O41 | S8 | O10 | N28 | 120.5° | 123.0° |
| O41 | S8 | N28 | C7 | 3.5° | 167.6° |
| O41 | S8 | C26 | C19 | 128.4° | 136.2° |
| O41 | S8 | N28 | C23 | 177.9° | 12.4° |
| C13 | C29 | C31 | H29 | 180.0° | 180.0° |
| C29 | C13 | C12 | H13 | 180.0° | 179.9° |
| C13 | C29 | C31 | C30 | 0.0° | 0.0° |
| C29 | C13 | C12 | C7 | 179.5° | 180.0° |
| C29 | C13 | C12 | C14 | 0.2° | 0.3° |
| C13 | C29 | C31 | H31 | 180.0° | 180.0° |
| C31 | C29 | C13 | C12 | 0.1° | 0.0° |
| C29 | C31 | C30 | H31 | 180.0° | 180.0° |
| C29 | C31 | C30 | C14 | 0.1° | 0.2° |
| C31 | C29 | C13 | H13 | 179.9° | 180.0° |
| C29 | C31 | C30 | H30 | 179.9° | 180.0° |
| CL1 | C17 | C1 | C26 | 179.6° | 179.4° |
| CL1 | C17 | C1 | C4 | 179.6° | 180.0° |
| CL1 | C17 | C26 | S8 | 0.4° | 0.3° |
| CL1 | C17 | C26 | C19 | 179.5° | 180.0° |
| CL1 | C17 | C1 | H1 | 0.4° | 0.3° |
| C13 | C12 | C7 | C14 | 179.6° | 179.7° |
| C13 | C12 | C14 | C30 | 0.1° | 0.6° |
| C13 | C12 | C7 | N28 | 57.3° | 85.7° |
| C13 | C12 | C7 | H71 | 62.7° | 154.4° |
| C13 | C12 | C7 | H72 | 174.9° | 34.4° |
| C12 | C13 | C29 | H29 | 179.9° | 179.9° |
| C13 | C12 | C14 | H14 | 179.9° | 179.7° |
| C31 | C30 | C14 | C12 | 0.0° | 0.5° |
| C31 | C30 | C14 | H30 | 180.0° | 179.8° |
| C30 | C31 | C29 | H29 | 180.0° | 180.0° |
| C31 | C30 | C14 | H14 | 180.0° | 179.8° |
| C17 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C17 | C26 | S8 | 179.2° | 179.7° |
| C1 | C17 | C26 | C19 | 0.1° | 0.5° |
| C17 | C1 | C4 | C3 | 0.0° | 0.3° |
| C17 | C1 | C4 | H4 | 180.0° | 179.7° |
| C26 | C17 | C1 | C4 | 0.0° | 0.6° |
| C17 | C26 | S8 | C19 | 179.2° | 179.7° |
| C17 | C26 | S8 | O10 | 176.3° | 176.5° |
| C17 | C26 | S8 | N28 | 65.4° | 69.9° |
| C17 | C26 | C19 | C3 | 0.1° | 0.2° |
| C17 | C26 | C19 | H19 | 179.9° | 179.8° |
| C26 | C17 | C1 | H1 | 180.0° | 179.7° |
| C7 | C12 | C14 | C30 | 179.5° | 179.7° |
| C12 | C7 | N28 | S8 | 92.8° | 95.5° |
| C12 | C7 | N28 | H71 | 120.0° | 120.0° |
| C12 | C7 | N28 | H72 | 117.5° | 120.0° |
| C12 | C7 | N28 | C23 | 88.7° | 84.4° |
| C12 | C7 | H71 | H72 | 117.8° | 120.0° |
| C7 | C12 | C13 | H13 | 0.5° | 0.1° |
| C7 | C12 | C14 | H14 | 0.5° | 0.1° |
| C12 | C14 | C30 | H14 | 180.0° | 179.7° |
| C14 | C12 | C7 | N28 | 123.0° | 94.0° |
| C14 | C12 | C7 | H71 | 117.0° | 26.0° |
| C14 | C12 | C7 | H72 | 5.5° | 145.9° |
| C14 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C14 | C30 | H30 | 180.0° | 179.7° |
| C14 | C30 | C31 | H31 | 179.9° | 179.8° |
| C1 | C4 | C3 | H4 | 180.0° | 180.0° |
| C1 | C4 | C3 | C19 | 0.0° | 0.0° |
| C1 | C4 | C3 | H3 | 180.0° | 179.9° |
| C26 | S8 | O10 | N28 | 121.3° | 114.1° |
| C26 | S8 | N28 | C7 | 110.7° | 78.9° |
| S8 | C26 | C19 | C3 | 179.3° | 179.9° |
| C26 | S8 | N28 | C23 | 67.9° | 101.2° |
| S8 | C26 | C19 | H19 | 0.7° | 0.0° |
| O10 | S8 | N28 | C7 | 129.5° | 34.6° |
| O10 | S8 | C26 | C19 | 2.9° | 3.2° |
| O10 | S8 | N28 | C23 | 51.9° | 145.3° |
| S8 | N28 | C7 | C23 | 178.5° | 179.9° |
| N28 | S8 | C26 | C19 | 115.5° | 110.3° |
| S8 | N28 | C23 | C24 | 104.0° | 164.9° |
| S8 | N28 | C23 | C21 | 137.8° | 81.5° |
| S8 | N28 | C23 | H23 | 18.4° | 41.7° |
| S8 | N28 | C7 | H71 | 27.2° | 24.5° |
| S8 | N28 | C7 | H72 | 149.7° | 144.4° |
| C7 | N28 | C23 | C24 | 77.5° | 15.1° |
| C7 | N28 | C23 | C21 | 40.7° | 98.4° |
| C7 | N28 | C23 | H23 | 160.2° | 138.4° |
| N28 | C7 | H71 | H72 | 117.8° | 120.0° |
| C26 | C19 | C3 | C4 | 0.1° | 0.1° |
| C26 | C19 | C3 | H19 | 180.0° | 180.0° |
| C26 | C19 | C3 | H3 | 179.9° | 179.9° |
| C4 | C3 | C19 | H3 | 180.0° | 179.9° |
| C4 | C3 | C19 | H19 | 179.9° | 180.0° |
| C3 | C4 | C1 | H1 | 180.0° | 180.0° |
| C19 | C3 | C4 | H4 | 180.0° | 179.9° |
| N28 | C23 | C24 | C21 | 126.1° | 118.4° |
| N28 | C23 | C24 | H23 | 113.8° | 123.2° |
| N28 | C23 | C21 | H23 | 113.6° | 123.3° |
| N28 | C23 | C24 | C25 | 107.2° | 140.3° |
| N28 | C23 | C24 | N32 | 126.5° | 100.7° |
| N28 | C23 | C21 | N22 | 92.1° | 155.8° |
| N28 | C23 | C24 | H24 | 13.4° | 21.4° |
| C23 | N28 | C7 | H71 | 151.3° | 155.6° |
| C23 | N28 | C7 | H72 | 28.8° | 35.6° |
| N28 | C23 | C21 | H211 | 147.9° | 85.8° |
| N28 | C23 | C21 | H212 | 29.3° | 37.4° |
| CL3 | C20 | C5 | C27 | 179.8° | 180.0° |
| CL3 | C20 | C27 | S9 | 0.8° | 0.0° |
| CL3 | C20 | C5 | C6 | 179.9° | 180.0° |
| CL3 | C20 | C27 | C18 | 179.7° | 179.7° |
| CL3 | C20 | C5 | H5 | 0.1° | 0.0° |
| O11 | S9 | N32 | C24 | 37.1° | 165.4° |
| O11 | S9 | C27 | C20 | 1.8° | 46.7° |
| O11 | S9 | N32 | C27 | 115.9° | 113.5° |
| O11 | S9 | N32 | O40 | 138.8° | 133.0° |
| O11 | S9 | C27 | O40 | 135.7° | 133.0° |
| O11 | S9 | N32 | C33 | 142.7° | 14.6° |
| O11 | S9 | C27 | C18 | 177.7° | 133.0° |
| C24 | C23 | C21 | H23 | 122.8° | 118.4° |
| C23 | C24 | C25 | N32 | 127.8° | 119.0° |
| C23 | C24 | C25 | H24 | 118.8° | 119.0° |
| C23 | C24 | N32 | H24 | 117.7° | 122.2° |
| C24 | C23 | C21 | N22 | 31.5° | 37.4° |
| C23 | C24 | C25 | N22 | 0.0° | 1.3° |
| C23 | C24 | N32 | S9 | 125.6° | 72.8° |
| C23 | C24 | N32 | C33 | 54.1° | 107.2° |
| C24 | C23 | C21 | H211 | 88.5° | 155.8° |
| C24 | C23 | C21 | H212 | 152.9° | 81.0° |
| C23 | C24 | C25 | H251 | 120.0° | 118.1° |
| C23 | C24 | C25 | H252 | 121.0° | 120.6° |
| C21 | C23 | C24 | C25 | 18.9° | 21.9° |
| C21 | C23 | C24 | N32 | 107.4° | 140.9° |
| C23 | C21 | N22 | H211 | 120.0° | 118.4° |
| C23 | C21 | N22 | H212 | 121.3° | 118.4° |
| C23 | C21 | N22 | C25 | 33.1° | 39.2° |
| C21 | C23 | C24 | H24 | 139.5° | 97.0° |
| C23 | C21 | H211 | H212 | 121.4° | 123.1° |
| C23 | C21 | N22 | HN22 | 153.1° | 81.4° |
| C25 | C24 | N32 | H24 | 119.8° | 122.0° |
| C24 | C25 | N22 | C21 | 20.3° | 25.4° |
| C24 | C25 | N22 | H251 | 120.0° | 119.4° |
| C24 | C25 | N22 | H252 | 121.0° | 119.3° |
| C25 | C24 | N32 | S9 | 112.0° | 171.5° |
| C25 | C24 | N32 | C33 | 68.3° | 8.5° |
| C25 | C24 | C23 | H23 | 139.1° | 96.4° |
| C24 | C25 | N22 | HN22 | 140.3° | 95.2° |
| C24 | C25 | H251 | H252 | 121.0° | 121.2° |
| N32 | C24 | C25 | N22 | 127.8° | 117.7° |
| C24 | N32 | S9 | C33 | 179.7° | 180.0° |
| C24 | N32 | S9 | C27 | 78.8° | 81.1° |
| C24 | N32 | S9 | O40 | 175.8° | 32.4° |
| C24 | N32 | C33 | C34 | 90.1° | 77.6° |
| N32 | C24 | C23 | H23 | 12.8° | 22.5° |
| N32 | C24 | C25 | H251 | 112.2° | 122.9° |
| N32 | C24 | C25 | H252 | 6.8° | 1.6° |
| C24 | N32 | C33 | H331 | 29.9° | 42.4° |
| C24 | N32 | C33 | H332 | 154.7° | 162.4° |
| C21 | N22 | C25 | HN22 | 120.0° | 120.6° |
| N22 | C21 | C23 | H23 | 154.4° | 81.0° |
| N22 | C21 | H211 | H212 | 121.4° | 123.1° |
| C21 | N22 | C25 | H251 | 140.3° | 94.0° |
| C21 | N22 | C25 | H252 | 100.6° | 144.6° |
| N22 | C25 | C24 | H24 | 118.8° | 120.3° |
| C25 | N22 | C21 | H211 | 86.9° | 157.6° |
| C25 | N22 | C21 | H212 | 154.4° | 79.2° |
| N22 | C25 | H251 | H252 | 121.0° | 121.2° |
| C5 | C20 | C27 | S9 | 179.5° | 179.9° |
| C20 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C20 | C27 | C18 | 0.0° | 0.2° |
| C20 | C5 | C6 | C2 | 0.2° | 0.0° |
| C20 | C5 | C6 | H6 | 179.7° | 179.9° |
| C20 | C27 | S9 | N32 | 107.8° | 66.8° |
| C20 | C27 | S9 | C18 | 179.5° | 179.7° |
| C20 | C27 | S9 | O40 | 137.5° | 179.7° |
| C27 | C20 | C5 | C6 | 0.2° | 0.1° |
| C20 | C27 | C18 | C2 | 0.1° | 0.5° |
| C27 | C20 | C5 | H5 | 179.8° | 180.0° |
| C20 | C27 | C18 | H18 | 179.9° | 180.0° |
| N32 | S9 | C27 | O40 | 114.7° | 113.5° |
| N32 | S9 | C27 | C18 | 72.7° | 113.5° |
| S9 | N32 | C33 | C34 | 89.5° | 102.4° |
| S9 | N32 | C24 | H24 | 7.8° | 49.5° |
| S9 | N32 | C33 | H331 | 150.5° | 137.7° |
| S9 | N32 | C33 | H332 | 25.6° | 17.6° |
| C27 | S9 | N32 | C33 | 101.5° | 98.9° |
| S9 | C27 | C18 | C2 | 179.4° | 179.8° |
| S9 | C27 | C18 | H18 | 0.5° | 0.2° |
| O40 | S9 | N32 | C33 | 3.9° | 147.6° |
| O40 | S9 | C27 | C18 | 42.0° | 0.0° |
| N32 | C33 | C34 | C35 | 32.1° | 80.5° |
| N32 | C33 | C34 | H331 | 120.0° | 120.0° |
| N32 | C33 | C34 | H332 | 115.1° | 120.0° |
| N32 | C33 | C34 | C38 | 148.4° | 99.2° |
| C33 | N32 | C24 | H24 | 171.9° | 130.5° |
| N32 | C33 | H331 | H332 | 115.9° | 120.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C35 | C36 | C37 | C39 | 0.0° | 0.1° |
| C36 | C35 | C34 | C33 | 179.5° | 180.0° |
| C36 | C35 | C34 | C38 | 0.0° | 0.3° |
| C35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C36 | C37 | C39 | H37 | 180.0° | 180.0° |
| C36 | C37 | C39 | C38 | 0.0° | 0.2° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C36 | C37 | C39 | H39 | 179.9° | 179.9° |
| C5 | C6 | C2 | H6 | 180.0° | 180.0° |
| C5 | C6 | C2 | C18 | 0.1° | 0.2° |
| C5 | C6 | C2 | H2 | 179.9° | 180.0° |
| C35 | C34 | C33 | C38 | 179.5° | 179.7° |
| C35 | C34 | C38 | C39 | 0.1° | 0.5° |
| C35 | C34 | C33 | H331 | 152.1° | 159.4° |
| C35 | C34 | C33 | H332 | 83.0° | 39.5° |
| C34 | C35 | C36 | H36 | 180.0° | 179.9° |
| C35 | C34 | C38 | H38 | 180.0° | 179.7° |
| C27 | C18 | C2 | C6 | 0.0° | 0.5° |
| C27 | C18 | C2 | H18 | 180.0° | 179.5° |
| C27 | C18 | C2 | H2 | 180.0° | 179.7° |
| C37 | C39 | C38 | C34 | 0.1° | 0.5° |
| C37 | C39 | C38 | H39 | 180.0° | 179.9° |
| C39 | C37 | C36 | H36 | 180.0° | 180.0° |
| C37 | C39 | C38 | H38 | 179.9° | 179.8° |
| C33 | C34 | C38 | C39 | 179.6° | 179.8° |
| C34 | C33 | H331 | H332 | 115.9° | 119.9° |
| C33 | C34 | C35 | H35 | 0.5° | 0.0° |
| C33 | C34 | C38 | H38 | 0.4° | 0.0° |
| C34 | C38 | C39 | H38 | 180.0° | 179.7° |
| C38 | C34 | C33 | H331 | 28.4° | 20.9° |
| C38 | C34 | C33 | H332 | 96.5° | 140.8° |
| C38 | C34 | C35 | H35 | 180.0° | 179.7° |
| C34 | C38 | C39 | H39 | 179.9° | 179.6° |
| C6 | C2 | C18 | H2 | 180.0° | 179.7° |
| C2 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C2 | C18 | H18 | 180.0° | 180.0° |
| C18 | C2 | C6 | H6 | 179.8° | 179.8° |
| C38 | C39 | C37 | H37 | 180.0° | 179.8° |
| H2 | C2 | C6 | H6 | 0.2° | 0.0° |
| H2 | C2 | C18 | H18 | 0.0° | 0.2° |
| H6 | C6 | C5 | H5 | 0.3° | 0.0° |
| H24 | C24 | C23 | H23 | 100.4° | 144.7° |
| H24 | C24 | C25 | H251 | 1.3° | 0.9° |
| H24 | C24 | C25 | H252 | 120.3° | 120.5° |
| H23 | C23 | C21 | H211 | 34.3° | 37.5° |
| H23 | C23 | C21 | H212 | 84.3° | 160.6° |
| H19 | C19 | C3 | H3 | 0.1° | 0.1° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| H4 | C4 | C1 | H1 | 0.0° | 0.0° |
| H13 | C13 | C29 | H29 | 0.1° | 0.0° |
| H29 | C29 | C31 | H31 | 0.0° | 0.0° |
| H31 | C31 | C30 | H30 | 0.1° | 0.0° |
| H30 | C30 | C14 | H14 | 0.0° | 0.0° |
| H211 | C21 | N22 | HN22 | 33.0° | 37.0° |
| H212 | C21 | N22 | HN22 | 85.6° | 160.2° |
| HN22 | N22 | C25 | H251 | 99.7° | 145.5° |
| HN22 | N22 | C25 | H252 | 19.4° | 24.1° |
| H35 | C35 | C36 | H36 | 0.0° | 0.1° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| H37 | C37 | C39 | H39 | 0.1° | 0.1° |
| H39 | C39 | C38 | H38 | 0.1° | 0.1° |
