XMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.33Å | 1.35Å | |
| C1 | C5 | sing | 1.48Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | S4 | sing | 1.76Å | 1.73Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C3 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| S4 | O7 | doub | 1.42Å | 1.54Å | |
| S4 | N11 | sing | 1.66Å | 1.75Å | |
| S4 | O19 | doub | 1.42Å | 1.54Å | |
| C5 | C12 | sing | 1.40Å | 1.47Å | Aromatic |
| CL6 | C18 | sing | 1.74Å | 1.72Å | |
| C8 | O9 | doub | 1.21Å | 1.24Å | |
| C8 | C10 | sing | 1.50Å | 1.59Å | |
| C8 | N16 | sing | 1.33Å | 1.44Å | |
| C10 | N11 | sing | 1.47Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N11 | C14 | sing | 1.47Å | 1.49Å | |
| C12 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | N16 | sing | 1.46Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N16 | C20 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.38Å | 1.46Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C28 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C24 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | N30 | sing | 1.32Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N22 | C23 | sing | 1.39Å | 1.47Å | |
| N22 | C25 | sing | 1.47Å | 1.54Å | |
| N22 | C27 | sing | 1.47Å | 1.54Å | |
| C23 | C24 | sing | 1.39Å | 1.48Å | Aromatic |
| C23 | C26 | doub | 1.39Å | 1.48Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C29 | sing | 1.53Å | 1.57Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C31 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C32 | sing | 1.53Å | 1.58Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| C28 | C32 | sing | 1.53Å | 1.57Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N30 | C31 | doub | 1.32Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 123.1° | 120.1° |
| C2 | C1 | H1 | 118.4° | 120.0° |
| C1 | C2 | S4 | 121.5° | 120.0° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C5 | C1 | H1 | 118.4° | 120.0° |
| C1 | C5 | C3 | 122.3° | 120.2° |
| C1 | C5 | C12 | 119.9° | 120.1° |
| S4 | C2 | H2 | 119.2° | 120.0° |
| C2 | S4 | O7 | 109.3° | 105.7° |
| C2 | S4 | N11 | 112.2° | 107.4° |
| C2 | S4 | O19 | 106.9° | 105.8° |
| C5 | C3 | C15 | 120.9° | 119.9° |
| C5 | C3 | H3 | 119.6° | 120.1° |
| C3 | C5 | C12 | 117.9° | 119.7° |
| C15 | C3 | H3 | 119.6° | 120.0° |
| C3 | C15 | C18 | 120.6° | 120.1° |
| C3 | C15 | H15 | 119.7° | 119.9° |
| O7 | S4 | N11 | 109.7° | 105.8° |
| O7 | S4 | O19 | 110.9° | 125.3° |
| N11 | S4 | O19 | 107.8° | 105.8° |
| S4 | N11 | C10 | 119.5° | 121.4° |
| S4 | N11 | C14 | 119.1° | 121.3° |
| C5 | C12 | C17 | 120.5° | 119.9° |
| C5 | C12 | H12 | 119.7° | 120.1° |
| CL6 | C18 | C15 | 119.5° | 119.9° |
| CL6 | C18 | C17 | 120.8° | 119.9° |
| O9 | C8 | C10 | 118.2° | 118.5° |
| O9 | C8 | N16 | 124.7° | 118.4° |
| C10 | C8 | N16 | 117.2° | 123.0° |
| C8 | C10 | N11 | 118.4° | 109.1° |
| C8 | C10 | H101 | 104.5° | 109.5° |
| C8 | C10 | H102 | 106.6° | 109.6° |
| C8 | N16 | C13 | 121.6° | 124.6° |
| C8 | N16 | C20 | 121.2° | 117.7° |
| N11 | C10 | H101 | 104.5° | 109.7° |
| N11 | C10 | H102 | 106.6° | 109.3° |
| C10 | N11 | C14 | 115.3° | 117.3° |
| H101 | C10 | H102 | 116.8° | 109.7° |
| N11 | C14 | C13 | 111.3° | 108.2° |
| N11 | C14 | H141 | 108.5° | 109.7° |
| N11 | C14 | H142 | 108.9° | 109.7° |
| C17 | C12 | H12 | 119.8° | 120.1° |
| C12 | C17 | C18 | 120.4° | 120.2° |
| C12 | C17 | H17 | 119.8° | 120.0° |
| C14 | C13 | N16 | 114.1° | 110.8° |
| C14 | C13 | H131 | 106.9° | 109.2° |
| C14 | C13 | H132 | 107.9° | 109.2° |
| C13 | C14 | H141 | 108.5° | 109.7° |
| C13 | C14 | H142 | 108.9° | 109.8° |
| N16 | C13 | H131 | 106.9° | 109.2° |
| N16 | C13 | H132 | 108.0° | 109.2° |
| C13 | N16 | C20 | 117.2° | 117.7° |
| H131 | C13 | H132 | 113.2° | 109.2° |
| H141 | C14 | H142 | 110.9° | 109.7° |
| C18 | C15 | H15 | 119.7° | 119.9° |
| C15 | C18 | C17 | 119.7° | 120.2° |
| N16 | C20 | C28 | 116.8° | 109.5° |
| N16 | C20 | H201 | 105.4° | 109.4° |
| N16 | C20 | H202 | 107.1° | 109.5° |
| C18 | C17 | H17 | 119.8° | 119.9° |
| C28 | C20 | H201 | 105.4° | 109.6° |
| C28 | C20 | H202 | 107.1° | 109.5° |
| C20 | C28 | C29 | 113.1° | 109.5° |
| C20 | C28 | C32 | 112.0° | 109.6° |
| C20 | C28 | H28 | 105.6° | 109.6° |
| H201 | C20 | H202 | 115.4° | 109.5° |
| C24 | C21 | N30 | 122.5° | 120.8° |
| C24 | C21 | H21 | 118.7° | 119.6° |
| C21 | C24 | C23 | 118.8° | 119.1° |
| C21 | C24 | H24 | 120.6° | 120.4° |
| N30 | C21 | H21 | 118.7° | 119.6° |
| C21 | N30 | C31 | 119.7° | 121.9° |
| C23 | N22 | C25 | 119.6° | 106.7° |
| C23 | N22 | C27 | 120.9° | 106.7° |
| N22 | C23 | C24 | 121.0° | 120.9° |
| N22 | C23 | C26 | 121.6° | 120.9° |
| C25 | N22 | C27 | 119.4° | 107.3° |
| N22 | C25 | C29 | 118.6° | 109.8° |
| N22 | C25 | H251 | 104.4° | 109.4° |
| N22 | C25 | H252 | 106.6° | 109.4° |
| N22 | C27 | C32 | 118.0° | 109.8° |
| N22 | C27 | H271 | 104.7° | 109.4° |
| N22 | C27 | H272 | 106.7° | 109.4° |
| C24 | C23 | C26 | 117.4° | 118.3° |
| C23 | C24 | H24 | 120.6° | 120.5° |
| C23 | C26 | C31 | 118.9° | 119.1° |
| C23 | C26 | H26 | 120.6° | 120.5° |
| C29 | C25 | H251 | 104.4° | 109.4° |
| C29 | C25 | H252 | 106.5° | 109.4° |
| C25 | C29 | C28 | 113.7° | 109.2° |
| C25 | C29 | H291 | 107.1° | 109.5° |
| C25 | C29 | H292 | 108.1° | 109.5° |
| H251 | C25 | H252 | 116.9° | 109.4° |
| C31 | C26 | H26 | 120.5° | 120.5° |
| C26 | C31 | N30 | 122.6° | 120.9° |
| C26 | C31 | H31 | 118.7° | 119.6° |
| C32 | C27 | H271 | 104.7° | 109.5° |
| C32 | C27 | H272 | 106.7° | 109.4° |
| C27 | C32 | C28 | 114.0° | 109.2° |
| C27 | C32 | H321 | 106.9° | 109.5° |
| C27 | C32 | H322 | 108.0° | 109.6° |
| H271 | C27 | H272 | 116.4° | 109.4° |
| C29 | C28 | C32 | 110.8° | 108.9° |
| C29 | C28 | H28 | 106.9° | 109.5° |
| C28 | C29 | H291 | 107.1° | 109.5° |
| C28 | C29 | H292 | 108.1° | 109.5° |
| C32 | C28 | H28 | 108.1° | 109.6° |
| C28 | C32 | H321 | 106.9° | 109.5° |
| C28 | C32 | H322 | 108.0° | 109.5° |
| H291 | C29 | H292 | 112.8° | 109.6° |
| N30 | C31 | H31 | 118.7° | 119.5° |
| H321 | C32 | H322 | 113.1° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 180.0° | 180.0° |
| C1 | C2 | S4 | H2 | 180.0° | 180.0° |
| C2 | C1 | C5 | C3 | 56.8° | 180.0° |
| C1 | C2 | S4 | O7 | 71.5° | 127.4° |
| C1 | C2 | S4 | N11 | 50.3° | 120.1° |
| C1 | C2 | S4 | O19 | 168.3° | 7.4° |
| C2 | C1 | C5 | C12 | 122.8° | 0.0° |
| C5 | C1 | C2 | S4 | 173.8° | 180.0° |
| C5 | C1 | C2 | H2 | 6.2° | 0.0° |
| C1 | C5 | C3 | C12 | 179.6° | 180.0° |
| C1 | C5 | C3 | C15 | 179.9° | 180.0° |
| C1 | C5 | C3 | H3 | 0.1° | 0.0° |
| C1 | C5 | C12 | C17 | 179.9° | 179.8° |
| C1 | C5 | C12 | H12 | 0.1° | 0.1° |
| H1 | C1 | C2 | S4 | 6.2° | 0.0° |
| H1 | C1 | C2 | H2 | 173.8° | 180.0° |
| H1 | C1 | C5 | C3 | 123.2° | 0.0° |
| H1 | C1 | C5 | C12 | 57.2° | 180.0° |
| C2 | S4 | O7 | N11 | 123.4° | 113.7° |
| C2 | S4 | O7 | O19 | 117.6° | 123.1° |
| C2 | S4 | N11 | O19 | 117.4° | 112.7° |
| C2 | S4 | N11 | C10 | 89.6° | 90.3° |
| C2 | S4 | N11 | C14 | 61.6° | 90.0° |
| H2 | C2 | S4 | O7 | 108.5° | 52.6° |
| H2 | C2 | S4 | N11 | 129.7° | 60.0° |
| H2 | C2 | S4 | O19 | 11.7° | 172.6° |
| C5 | C3 | C15 | H3 | 180.0° | 180.0° |
| C3 | C5 | C12 | C17 | 0.3° | 0.2° |
| C3 | C5 | C12 | H12 | 179.7° | 179.9° |
| C5 | C3 | C15 | C18 | 0.1° | 0.1° |
| C5 | C3 | C15 | H15 | 179.9° | 179.9° |
| C15 | C3 | C5 | C12 | 0.3° | 0.0° |
| C3 | C15 | C18 | CL6 | 179.5° | 180.0° |
| C3 | C15 | C18 | H15 | 180.0° | 179.9° |
| C3 | C15 | C18 | C17 | 0.2° | 0.3° |
| H3 | C3 | C5 | C12 | 179.7° | 180.0° |
| H3 | C3 | C15 | C18 | 179.9° | 180.0° |
| H3 | C3 | C15 | H15 | 0.1° | 0.1° |
| O7 | S4 | N11 | O19 | 120.9° | 134.8° |
| O7 | S4 | N11 | C10 | 32.1° | 157.1° |
| O7 | S4 | N11 | C14 | 176.8° | 22.6° |
| S4 | N11 | C10 | C8 | 180.0° | 137.3° |
| S4 | N11 | C10 | C14 | 152.2° | 179.7° |
| S4 | N11 | C10 | H101 | 64.3° | 17.3° |
| S4 | N11 | C10 | H102 | 60.0° | 102.9° |
| S4 | N11 | C14 | C13 | 155.4° | 118.5° |
| S4 | N11 | C14 | H141 | 85.3° | 121.9° |
| S4 | N11 | C14 | H142 | 35.4° | 1.2° |
| O19 | S4 | N11 | C10 | 153.0° | 22.4° |
| O19 | S4 | N11 | C14 | 55.8° | 157.4° |
| C5 | C12 | C17 | H12 | 180.0° | 179.9° |
| C5 | C12 | C17 | C18 | 0.0° | 0.5° |
| C5 | C12 | C17 | H17 | 180.0° | 180.0° |
| CL6 | C18 | C17 | C12 | 179.4° | 179.8° |
| CL6 | C18 | C15 | C17 | 179.7° | 179.7° |
| CL6 | C18 | C15 | H15 | 0.6° | 0.1° |
| CL6 | C18 | C17 | H17 | 0.6° | 0.3° |
| O9 | C8 | C10 | N16 | 179.8° | 179.9° |
| O9 | C8 | C10 | N11 | 179.5° | 167.4° |
| O9 | C8 | C10 | H101 | 64.8° | 47.3° |
| O9 | C8 | C10 | H102 | 59.4° | 73.0° |
| O9 | C8 | N16 | C13 | 179.7° | 175.7° |
| O9 | C8 | N16 | C20 | 0.3° | 4.3° |
| C8 | C10 | N11 | H101 | 115.8° | 120.0° |
| C8 | C10 | N11 | H102 | 120.0° | 119.8° |
| C8 | C10 | H101 | H102 | 117.4° | 120.3° |
| C8 | C10 | N11 | C14 | 27.8° | 42.4° |
| C10 | C8 | N16 | C13 | 0.5° | 4.1° |
| C10 | C8 | N16 | C20 | 179.5° | 175.8° |
| N16 | C8 | C10 | N11 | 0.4° | 12.4° |
| N16 | C8 | C10 | H101 | 115.4° | 132.5° |
| N16 | C8 | C10 | H102 | 120.4° | 107.2° |
| C8 | N16 | C13 | C14 | 24.5° | 21.9° |
| C8 | N16 | C13 | C20 | 179.9° | 180.0° |
| C8 | N16 | C13 | H131 | 142.5° | 142.3° |
| C8 | N16 | C13 | H132 | 95.5° | 98.5° |
| C8 | N16 | C20 | C28 | 93.7° | 90.0° |
| C8 | N16 | C20 | H201 | 149.7° | 30.0° |
| C8 | N16 | C20 | H202 | 26.3° | 150.0° |
| N11 | C10 | H101 | H102 | 117.5° | 120.0° |
| C10 | N11 | C14 | C13 | 52.2° | 61.2° |
| C10 | N11 | C14 | H141 | 67.0° | 58.4° |
| C10 | N11 | C14 | H142 | 172.2° | 179.0° |
| H101 | C10 | N11 | C14 | 88.0° | 162.4° |
| H102 | C10 | N11 | C14 | 147.8° | 77.3° |
| N11 | C14 | C13 | H141 | 119.2° | 119.6° |
| N11 | C14 | C13 | H142 | 120.0° | 119.7° |
| N11 | C14 | C13 | N16 | 50.6° | 46.7° |
| N11 | C14 | C13 | H131 | 168.5° | 167.0° |
| N11 | C14 | C13 | H132 | 69.4° | 73.6° |
| N11 | C14 | H141 | H142 | 119.5° | 120.6° |
| C12 | C17 | C18 | C15 | 0.2° | 0.5° |
| C12 | C17 | C18 | H17 | 180.0° | 179.5° |
| H12 | C12 | C17 | C18 | 180.0° | 179.7° |
| H12 | C12 | C17 | H17 | 0.0° | 0.1° |
| C14 | C13 | N16 | H131 | 118.0° | 120.4° |
| C14 | C13 | N16 | H132 | 120.0° | 120.4° |
| C14 | C13 | H131 | H132 | 118.7° | 119.4° |
| C13 | C14 | H141 | H142 | 119.5° | 120.7° |
| C14 | C13 | N16 | C20 | 155.5° | 158.1° |
| N16 | C13 | H131 | H132 | 118.7° | 119.3° |
| N16 | C13 | C14 | H141 | 68.6° | 72.9° |
| N16 | C13 | C14 | H142 | 170.6° | 166.4° |
| C13 | N16 | C20 | C28 | 86.2° | 90.0° |
| C13 | N16 | C20 | H201 | 30.4° | 150.0° |
| C13 | N16 | C20 | H202 | 153.8° | 30.0° |
| H131 | C13 | C14 | H141 | 49.3° | 47.4° |
| H131 | C13 | C14 | H142 | 71.5° | 73.3° |
| H131 | C13 | N16 | C20 | 37.5° | 37.7° |
| H132 | C13 | C14 | H141 | 171.3° | 166.7° |
| H132 | C13 | C14 | H142 | 50.6° | 46.1° |
| H132 | C13 | N16 | C20 | 84.6° | 81.6° |
| C15 | C18 | C17 | H17 | 179.8° | 179.9° |
| H15 | C15 | C18 | C17 | 179.8° | 179.8° |
| N16 | C20 | C28 | H201 | 116.6° | 120.0° |
| N16 | C20 | C28 | H202 | 120.0° | 120.0° |
| N16 | C20 | H201 | H202 | 117.9° | 119.9° |
| N16 | C20 | C28 | C29 | 149.3° | 180.0° |
| N16 | C20 | C28 | C32 | 23.3° | 60.5° |
| N16 | C20 | C28 | H28 | 94.2° | 59.8° |
| C28 | C20 | H201 | H202 | 117.9° | 120.1° |
| C20 | C28 | C29 | C25 | 179.5° | 175.5° |
| C20 | C28 | C32 | C27 | 179.3° | 175.4° |
| C20 | C28 | C29 | C32 | 126.7° | 119.9° |
| C20 | C28 | C29 | H28 | 115.7° | 120.2° |
| C20 | C28 | C32 | H28 | 115.9° | 120.3° |
| C20 | C28 | C29 | H291 | 61.3° | 64.6° |
| C20 | C28 | C29 | H292 | 60.5° | 55.6° |
| C20 | C28 | C32 | H321 | 62.7° | 55.5° |
| C20 | C28 | C32 | H322 | 59.3° | 64.6° |
| H201 | C20 | C28 | C29 | 32.7° | 60.0° |
| H201 | C20 | C28 | C32 | 93.3° | 179.5° |
| H201 | C20 | C28 | H28 | 149.2° | 60.2° |
| H202 | C20 | C28 | C29 | 90.7° | 60.0° |
| H202 | C20 | C28 | C32 | 143.3° | 59.4° |
| H202 | C20 | C28 | H28 | 25.8° | 179.8° |
| C24 | C21 | N30 | H21 | 180.0° | 179.9° |
| C21 | C24 | C23 | N22 | 179.8° | 180.0° |
| C21 | C24 | C23 | H24 | 180.0° | 180.0° |
| C21 | C24 | C23 | C26 | 0.0° | 0.2° |
| C24 | C21 | N30 | C31 | 0.1° | 0.1° |
| N30 | C21 | C24 | C23 | 0.1° | 0.1° |
| N30 | C21 | C24 | H24 | 179.9° | 179.9° |
| C21 | N30 | C31 | C26 | 0.1° | 0.3° |
| C21 | N30 | C31 | H31 | 179.9° | 179.9° |
| H21 | C21 | C24 | C23 | 179.9° | 180.0° |
| H21 | C21 | C24 | H24 | 0.1° | 0.0° |
| H21 | C21 | N30 | C31 | 179.9° | 180.0° |
| C23 | N22 | C25 | C27 | 179.8° | 114.1° |
| N22 | C23 | C24 | C26 | 179.8° | 179.8° |
| N22 | C23 | C24 | H24 | 0.2° | 0.0° |
| C23 | N22 | C25 | C29 | 168.1° | 179.7° |
| C23 | N22 | C25 | H251 | 76.2° | 59.6° |
| C23 | N22 | C25 | H252 | 48.1° | 60.2° |
| N22 | C23 | C26 | C31 | 179.8° | 179.7° |
| N22 | C23 | C26 | H26 | 0.2° | 0.2° |
| C23 | N22 | C27 | C32 | 168.8° | 179.7° |
| C23 | N22 | C27 | H271 | 52.8° | 59.6° |
| C23 | N22 | C27 | H272 | 71.2° | 60.2° |
| C25 | N22 | C23 | C24 | 0.3° | 180.0° |
| C25 | N22 | C23 | C26 | 179.5° | 0.2° |
| N22 | C25 | C29 | H251 | 115.7° | 120.1° |
| N22 | C25 | C29 | H252 | 120.0° | 120.0° |
| N22 | C25 | H251 | H252 | 117.4° | 119.8° |
| C25 | N22 | C27 | C32 | 11.4° | 65.7° |
| C25 | N22 | C27 | H271 | 127.4° | 54.5° |
| C25 | N22 | C27 | H272 | 108.6° | 174.3° |
| N22 | C25 | C29 | C28 | 33.7° | 61.4° |
| N22 | C25 | C29 | H291 | 151.8° | 178.7° |
| N22 | C25 | C29 | H292 | 86.3° | 58.5° |
| C27 | N22 | C23 | C24 | 179.9° | 65.6° |
| C27 | N22 | C23 | C26 | 0.3° | 114.2° |
| C27 | N22 | C25 | C29 | 12.1° | 65.6° |
| C27 | N22 | C25 | H251 | 103.6° | 54.5° |
| C27 | N22 | C25 | H252 | 132.1° | 174.3° |
| N22 | C27 | C32 | H271 | 116.0° | 120.1° |
| N22 | C27 | C32 | H272 | 120.0° | 120.1° |
| N22 | C27 | H271 | H272 | 117.6° | 119.8° |
| N22 | C27 | C32 | C28 | 32.6° | 61.4° |
| N22 | C27 | C32 | H321 | 85.4° | 58.5° |
| N22 | C27 | C32 | H322 | 152.6° | 178.7° |
| C24 | C23 | C26 | C31 | 0.0° | 0.5° |
| C24 | C23 | C26 | H26 | 180.0° | 180.0° |
| C26 | C23 | C24 | H24 | 180.0° | 179.8° |
| C23 | C26 | C31 | H26 | 180.0° | 179.5° |
| C23 | C26 | C31 | N30 | 0.0° | 0.6° |
| C23 | C26 | C31 | H31 | 180.0° | 179.8° |
| C29 | C25 | H251 | H252 | 117.4° | 119.9° |
| C25 | C29 | C28 | H291 | 118.2° | 119.9° |
| C25 | C29 | C28 | H292 | 120.0° | 119.9° |
| C25 | C29 | C28 | C32 | 53.8° | 55.6° |
| C25 | C29 | C28 | H28 | 63.8° | 64.3° |
| C25 | C29 | H291 | H292 | 118.8° | 120.1° |
| H251 | C25 | C29 | C28 | 82.0° | 58.7° |
| H251 | C25 | C29 | H291 | 36.1° | 61.2° |
| H251 | C25 | C29 | H292 | 158.0° | 178.6° |
| H252 | C25 | C29 | C28 | 153.7° | 178.6° |
| H252 | C25 | C29 | H291 | 88.2° | 58.6° |
| H252 | C25 | C29 | H292 | 33.7° | 61.5° |
| C26 | C31 | N30 | H31 | 180.0° | 179.6° |
| H26 | C26 | C31 | N30 | 180.0° | 180.0° |
| H26 | C26 | C31 | H31 | 0.0° | 0.3° |
| C32 | C27 | H271 | H272 | 117.6° | 119.8° |
| C27 | C32 | C28 | C29 | 53.4° | 55.6° |
| C27 | C32 | C28 | H321 | 118.0° | 119.9° |
| C27 | C32 | C28 | H322 | 120.0° | 119.9° |
| C27 | C32 | C28 | H28 | 63.4° | 64.3° |
| C27 | C32 | H321 | H322 | 118.7° | 120.2° |
| H271 | C27 | C32 | C28 | 148.5° | 58.7° |
| H271 | C27 | C32 | H321 | 30.6° | 178.6° |
| H271 | C27 | C32 | H322 | 91.5° | 61.1° |
| H272 | C27 | C32 | C28 | 87.5° | 178.5° |
| H272 | C27 | C32 | H321 | 154.6° | 61.6° |
| H272 | C27 | C32 | H322 | 32.5° | 58.7° |
| C29 | C28 | C32 | H28 | 116.8° | 119.9° |
| C28 | C29 | H291 | H292 | 118.8° | 120.2° |
| C29 | C28 | C32 | H321 | 64.5° | 64.3° |
| C29 | C28 | C32 | H322 | 173.4° | 175.5° |
| C32 | C28 | C29 | H291 | 172.0° | 175.5° |
| C32 | C28 | C29 | H292 | 66.2° | 64.3° |
| C28 | C32 | H321 | H322 | 118.7° | 120.1° |
| H28 | C28 | C29 | H291 | 54.4° | 55.6° |
| H28 | C28 | C29 | H292 | 176.2° | 175.7° |
| H28 | C28 | C32 | H321 | 178.6° | 175.8° |
| H28 | C28 | C32 | H322 | 56.6° | 55.7° |
