SXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | PD1 | sing | 2.46Å | 2.44Å | |
| PD1 | C1 | sing | 2.00Å | 2.02Å | |
| PD1 | S2 | sing | 2.29Å | 2.26Å | |
| S1 | C7 | sing | 1.82Å | 1.81Å | |
| S1 | PD1 | sing | 2.29Å | 2.30Å | |
| S2 | C12 | sing | 1.80Å | 1.76Å | |
| S2 | C10 | sing | 1.82Å | 1.85Å | |
| O3 | P1 | sing | 1.62Å | 1.59Å | |
| P1 | O1 | sing | 1.58Å | 1.53Å | |
| O1 | C16 | sing | 1.46Å | 1.46Å | |
| O2 | P1 | doub | 1.49Å | 1.50Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 0.94Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C13 | sing | 1.52Å | 1.53Å | |
| C5 | H5 | sing | 0.94Å | 1.08Å | |
| C6 | C10 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.51Å | 1.53Å | |
| C7 | H17 | sing | 0.97Å | 1.10Å | |
| C7 | H27 | sing | 0.97Å | 1.10Å | |
| C9 | S1 | sing | 1.80Å | 1.80Å | |
| C9 | H19 | sing | 0.98Å | 1.10Å | |
| C9 | H29 | sing | 0.97Å | 1.10Å | |
| C9 | H39 | sing | 0.97Å | 1.10Å | |
| C10 | H110 | sing | 0.97Å | 1.10Å | |
| C10 | H210 | sing | 0.97Å | 1.10Å | |
| C12 | H112 | sing | 0.98Å | 1.10Å | |
| C12 | H212 | sing | 0.98Å | 1.10Å | |
| C12 | H312 | sing | 0.97Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | H113 | sing | 0.98Å | 1.10Å | |
| C13 | H213 | sing | 0.98Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H114 | sing | 0.98Å | 1.10Å | |
| C14 | H214 | sing | 0.98Å | 1.10Å | |
| C15 | P1 | sing | 1.81Å | 1.79Å | |
| C15 | H115 | sing | 0.98Å | 1.10Å | |
| C15 | H215 | sing | 0.98Å | 1.10Å | |
| C16 | C17 | sing | 1.46Å | 1.56Å | |
| C16 | H116 | sing | 0.98Å | 1.10Å | |
| C16 | H216 | sing | 0.98Å | 1.10Å | |
| C17 | H117 | sing | 0.98Å | 1.10Å | |
| C17 | H217 | sing | 0.98Å | 1.10Å | |
| C17 | H317 | sing | 0.98Å | 1.10Å | |
| O3 | C161 | sing | 1.38Å | 1.43Å | |
| C19 | C161 | doub | 1.39Å | 1.54Å | Aromatic |
| C161 | C20 | sing | 1.38Å | 1.54Å | Aromatic |
| C171 | C18 | doub | 1.38Å | 1.54Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.54Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.54Å | Aromatic |
| C171 | C21 | sing | 1.38Å | 1.54Å | Aromatic |
| C171 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | O4 | sing | 1.22Å | 1.36Å | |
| N1 | O5 | doub | 1.22Å | 1.17Å | |
| C18 | H24 | sing | 0.94Å | 1.08Å | |
| C19 | H25 | sing | 0.94Å | 1.08Å | |
| C20 | H26 | sing | 0.94Å | 1.08Å | |
| C21 | H271 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | PD1 | C1 | 179.5° | 179.8° |
| BR1 | PD1 | S2 | 96.6° | 93.3° |
| BR1 | PD1 | S1 | 95.7° | 93.3° |
| C1 | PD1 | S2 | 83.1° | 86.6° |
| C1 | PD1 | S1 | 84.6° | 86.8° |
| PD1 | C1 | C6 | 123.4° | 119.7° |
| PD1 | C1 | C2 | 120.8° | 119.5° |
| S2 | PD1 | S1 | 167.7° | 172.9° |
| PD1 | S2 | C12 | 103.4° | 110.3° |
| PD1 | S2 | C10 | 104.3° | 100.5° |
| C7 | S1 | PD1 | 100.3° | 100.4° |
| S1 | C7 | C2 | 110.7° | 112.5° |
| S1 | C7 | H17 | 109.0° | 111.1° |
| S1 | C7 | H27 | 108.8° | 108.6° |
| C7 | S1 | C9 | 105.0° | 101.2° |
| PD1 | S1 | C9 | 105.7° | 108.6° |
| C12 | S2 | C10 | 102.3° | 101.5° |
| S2 | C12 | H112 | 109.5° | 109.4° |
| S2 | C12 | H212 | 109.5° | 109.4° |
| S2 | C12 | H312 | 109.4° | 109.5° |
| S2 | C10 | C6 | 110.6° | 112.2° |
| S2 | C10 | H110 | 109.1° | 111.4° |
| S2 | C10 | H210 | 108.9° | 108.6° |
| O3 | P1 | O1 | 110.5° | 105.1° |
| O3 | P1 | O2 | 110.0° | 112.5° |
| O3 | P1 | C15 | 103.9° | 104.9° |
| P1 | O3 | C161 | 129.5° | 125.0° |
| P1 | O1 | C16 | 122.5° | 123.2° |
| O1 | P1 | O2 | 113.7° | 112.9° |
| O1 | P1 | C15 | 104.3° | 107.2° |
| O1 | C16 | C17 | 110.7° | 110.6° |
| O1 | C16 | H116 | 109.0° | 109.5° |
| O1 | C16 | H216 | 108.8° | 109.5° |
| O2 | P1 | C15 | 114.0° | 113.7° |
| C6 | C1 | C2 | 115.7° | 120.2° |
| C1 | C6 | C10 | 117.5° | 119.9° |
| C1 | C6 | C5 | 123.4° | 119.7° |
| C1 | C2 | C3 | 121.1° | 119.7° |
| C1 | C2 | C7 | 117.5° | 120.0° |
| C2 | C3 | C4 | 121.2° | 121.2° |
| C2 | C3 | H3 | 119.4° | 118.8° |
| C3 | C2 | C7 | 121.2° | 120.3° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.4° | 118.2° |
| C3 | C4 | C13 | 121.1° | 120.7° |
| C5 | C4 | C13 | 118.4° | 121.1° |
| C4 | C5 | H5 | 121.0° | 120.1° |
| C4 | C5 | C6 | 117.9° | 121.1° |
| C4 | C13 | C14 | 112.1° | 113.7° |
| C4 | C13 | H113 | 108.6° | 109.0° |
| C4 | C13 | H213 | 108.0° | 108.9° |
| H5 | C5 | C6 | 121.0° | 118.8° |
| C10 | C6 | C5 | 119.0° | 120.4° |
| C6 | C10 | H110 | 109.1° | 109.3° |
| C6 | C10 | H210 | 108.9° | 109.5° |
| C2 | C7 | H17 | 109.1° | 109.9° |
| C2 | C7 | H27 | 108.8° | 109.1° |
| H17 | C7 | H27 | 110.4° | 105.4° |
| S1 | C9 | H19 | 109.5° | 109.4° |
| S1 | C9 | H29 | 109.5° | 109.4° |
| S1 | C9 | H39 | 109.5° | 109.4° |
| H19 | C9 | H29 | 109.5° | 109.5° |
| H19 | C9 | H39 | 109.4° | 109.5° |
| H29 | C9 | H39 | 109.5° | 109.5° |
| H110 | C10 | H210 | 110.3° | 105.6° |
| H112 | C12 | H212 | 109.5° | 109.5° |
| H112 | C12 | H312 | 109.4° | 109.5° |
| H212 | C12 | H312 | 109.5° | 109.5° |
| C14 | C13 | H113 | 108.6° | 108.9° |
| C14 | C13 | H213 | 108.0° | 108.7° |
| C13 | C14 | C15 | 108.9° | 115.8° |
| C13 | C14 | H114 | 109.7° | 108.3° |
| C13 | C14 | H214 | 109.8° | 108.4° |
| H113 | C13 | H213 | 111.6° | 107.4° |
| C15 | C14 | H114 | 109.7° | 108.5° |
| C15 | C14 | H214 | 109.8° | 108.7° |
| C14 | C15 | P1 | 119.1° | 113.9° |
| C14 | C15 | H115 | 106.3° | 109.0° |
| C14 | C15 | H215 | 104.1° | 108.5° |
| H114 | C14 | H214 | 109.0° | 106.8° |
| P1 | C15 | H115 | 106.4° | 109.1° |
| P1 | C15 | H215 | 104.1° | 108.6° |
| H115 | C15 | H215 | 117.4° | 107.6° |
| C17 | C16 | H116 | 109.1° | 109.5° |
| C17 | C16 | H216 | 108.8° | 109.6° |
| C16 | C17 | H117 | 109.5° | 109.5° |
| C16 | C17 | H217 | 109.5° | 109.5° |
| C16 | C17 | H317 | 109.5° | 109.6° |
| H116 | C16 | H216 | 110.4° | 108.2° |
| H117 | C17 | H217 | 109.5° | 109.4° |
| H117 | C17 | H317 | 109.4° | 109.4° |
| H217 | C17 | H317 | 109.5° | 109.4° |
| O3 | C161 | C19 | 90.0° | 126.2° |
| O3 | C161 | C20 | 150.0° | 113.2° |
| C19 | C161 | C20 | 120.0° | 120.6° |
| C161 | C19 | C18 | 120.0° | 119.6° |
| C161 | C19 | H25 | 120.0° | 120.9° |
| C161 | C20 | C21 | 120.0° | 119.8° |
| C161 | C20 | H26 | 120.0° | 120.3° |
| C171 | C18 | C19 | 120.0° | 119.5° |
| C18 | C171 | C21 | 120.1° | 121.0° |
| C18 | C171 | N1 | 120.0° | 119.5° |
| C171 | C18 | H24 | 120.0° | 121.0° |
| C19 | C18 | H24 | 120.0° | 119.5° |
| C18 | C19 | H25 | 120.0° | 119.5° |
| C20 | C21 | C171 | 120.0° | 119.4° |
| C21 | C20 | H26 | 120.0° | 119.9° |
| C20 | C21 | H271 | 120.0° | 119.5° |
| C21 | C171 | N1 | 120.0° | 119.5° |
| C171 | C21 | H271 | 120.0° | 121.1° |
| C171 | N1 | O4 | 120.0° | 119.1° |
| C171 | N1 | O5 | 120.0° | 119.1° |
| O4 | N1 | O5 | 120.0° | 121.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | PD1 | C1 | S2 | 46.3° | 70.9° |
| BR1 | PD1 | C1 | S1 | 133.3° | 106.6° |
| BR1 | PD1 | S2 | S1 | 177.8° | 159.2° |
| BR1 | PD1 | S1 | C7 | 163.0° | 179.0° |
| BR1 | PD1 | S2 | C12 | 67.0° | 70.2° |
| BR1 | PD1 | S2 | C10 | 173.7° | 176.8° |
| BR1 | PD1 | C1 | C6 | 57.5° | 68.5° |
| BR1 | PD1 | C1 | C2 | 126.1° | 102.6° |
| BR1 | PD1 | S1 | C9 | 54.1° | 75.4° |
| C1 | PD1 | S2 | S1 | 1.9° | 20.6° |
| C1 | PD1 | S1 | C7 | 16.7° | 1.2° |
| C1 | PD1 | S2 | C12 | 113.3° | 110.0° |
| C1 | PD1 | S2 | C10 | 6.7° | 3.4° |
| PD1 | C1 | C6 | C2 | 176.5° | 171.0° |
| PD1 | C1 | C2 | C3 | 175.9° | 170.3° |
| PD1 | C1 | C6 | C10 | 12.0° | 9.3° |
| PD1 | C1 | C6 | C5 | 172.0° | 170.3° |
| PD1 | C1 | C2 | C7 | 8.6° | 9.3° |
| C1 | PD1 | S1 | C9 | 125.6° | 104.5° |
| S2 | PD1 | S1 | C7 | 14.8° | 21.8° |
| PD1 | S2 | C12 | C10 | 108.2° | 105.9° |
| S2 | PD1 | C1 | C6 | 11.2° | 2.4° |
| S2 | PD1 | C1 | C2 | 172.4° | 173.5° |
| PD1 | S2 | C10 | C6 | 3.2° | 8.4° |
| S2 | PD1 | S1 | C9 | 123.7° | 83.8° |
| PD1 | S2 | C10 | H110 | 116.8° | 114.4° |
| PD1 | S2 | C10 | H210 | 122.7° | 129.7° |
| PD1 | S2 | C12 | H112 | 39.6° | 74.8° |
| PD1 | S2 | C12 | H212 | 159.6° | 165.3° |
| PD1 | S2 | C12 | H312 | 80.3° | 45.3° |
| C7 | S1 | PD1 | C9 | 108.9° | 105.7° |
| S1 | C7 | C2 | C1 | 23.9° | 9.9° |
| S1 | C7 | C2 | C3 | 160.7° | 169.7° |
| S1 | C7 | C2 | H17 | 120.0° | 124.3° |
| S1 | C7 | C2 | H27 | 119.5° | 120.5° |
| S1 | C7 | H17 | H27 | 119.5° | 117.4° |
| C7 | S1 | C9 | H19 | 99.3° | 179.8° |
| C7 | S1 | C9 | H29 | 20.7° | 59.8° |
| C7 | S1 | C9 | H39 | 140.7° | 60.2° |
| S1 | PD1 | S2 | C12 | 115.2° | 130.6° |
| S1 | PD1 | S2 | C10 | 8.5° | 24.0° |
| S1 | PD1 | C1 | C6 | 169.2° | 175.1° |
| S1 | PD1 | C1 | C2 | 7.2° | 4.0° |
| PD1 | S1 | C7 | C2 | 25.1° | 5.7° |
| PD1 | S1 | C7 | H17 | 95.0° | 129.4° |
| PD1 | S1 | C7 | H27 | 144.6° | 115.1° |
| PD1 | S1 | C9 | H19 | 155.1° | 75.0° |
| PD1 | S1 | C9 | H29 | 84.9° | 165.0° |
| PD1 | S1 | C9 | H39 | 35.2° | 44.9° |
| C12 | S2 | C10 | C6 | 110.7° | 121.8° |
| C12 | S2 | C10 | H110 | 9.3° | 1.0° |
| C12 | S2 | C10 | H210 | 129.7° | 116.9° |
| S2 | C12 | H112 | H212 | 120.0° | 119.9° |
| S2 | C12 | H112 | H312 | 120.0° | 120.0° |
| S2 | C12 | H212 | H312 | 120.0° | 120.0° |
| S2 | C10 | C6 | C1 | 4.4° | 11.9° |
| S2 | C10 | C6 | H110 | 120.0° | 124.0° |
| S2 | C10 | C6 | H210 | 119.5° | 120.7° |
| S2 | C10 | C6 | C5 | 179.5° | 167.7° |
| S2 | C10 | H110 | H210 | 119.6° | 117.8° |
| C10 | S2 | C12 | H112 | 147.8° | 179.3° |
| C10 | S2 | C12 | H212 | 92.2° | 59.3° |
| C10 | S2 | C12 | H312 | 27.8° | 60.7° |
| O3 | P1 | O1 | O2 | 124.2° | 122.9° |
| O3 | P1 | O1 | C15 | 111.0° | 111.2° |
| O3 | P1 | O1 | C16 | 57.6° | 168.4° |
| O3 | P1 | O2 | C15 | 116.2° | 119.0° |
| O3 | P1 | C15 | C14 | 165.1° | 85.8° |
| O3 | P1 | C15 | H115 | 45.1° | 36.2° |
| O3 | P1 | C15 | H215 | 79.5° | 153.3° |
| P1 | O3 | C161 | C19 | 143.1° | 0.4° |
| P1 | O3 | C161 | C20 | 36.9° | 179.4° |
| O1 | P1 | O2 | C15 | 119.3° | 122.3° |
| O1 | P1 | C15 | C14 | 49.3° | 162.9° |
| O1 | P1 | C15 | H115 | 70.6° | 75.1° |
| O1 | P1 | C15 | H215 | 164.7° | 41.9° |
| P1 | O1 | C16 | C17 | 163.1° | 163.3° |
| P1 | O1 | C16 | H116 | 76.8° | 42.6° |
| P1 | O1 | C16 | H216 | 43.6° | 75.8° |
| O1 | P1 | O3 | C161 | 110.9° | 64.4° |
| C16 | O1 | P1 | O2 | 66.7° | 45.5° |
| C16 | O1 | P1 | C15 | 168.6° | 80.4° |
| O1 | C16 | C17 | H116 | 120.0° | 120.7° |
| O1 | C16 | C17 | H216 | 119.5° | 120.8° |
| O1 | C16 | H116 | H216 | 119.4° | 119.3° |
| O1 | C16 | C17 | H117 | 52.6° | 179.9° |
| O1 | C16 | C17 | H217 | 67.5° | 60.1° |
| O1 | C16 | C17 | H317 | 172.5° | 59.9° |
| O2 | P1 | C15 | C14 | 75.2° | 37.5° |
| O2 | P1 | C15 | H115 | 164.8° | 159.5° |
| O2 | P1 | C15 | H215 | 40.2° | 83.5° |
| O2 | P1 | O3 | C161 | 122.7° | 58.7° |
| C6 | C1 | C2 | C3 | 0.7° | 0.7° |
| C1 | C6 | C5 | C4 | 3.4° | 0.3° |
| C1 | C6 | C5 | H5 | 176.6° | 179.6° |
| C1 | C6 | C10 | C5 | 176.1° | 179.6° |
| C6 | C1 | C2 | C7 | 174.8° | 179.6° |
| C1 | C6 | C10 | H110 | 124.4° | 112.1° |
| C1 | C6 | C10 | H210 | 115.2° | 132.7° |
| C1 | C2 | C3 | C7 | 175.3° | 179.6° |
| C1 | C2 | C3 | C4 | 4.3° | 0.4° |
| C1 | C2 | C3 | H3 | 175.7° | 179.7° |
| C2 | C1 | C6 | C10 | 171.4° | 179.7° |
| C2 | C1 | C6 | C5 | 4.5° | 0.7° |
| C1 | C2 | C7 | H17 | 96.1° | 134.2° |
| C1 | C2 | C7 | H27 | 143.4° | 110.6° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 5.6° | 0.1° |
| C2 | C3 | C4 | C13 | 172.1° | 180.0° |
| C3 | C2 | C7 | H17 | 79.4° | 45.4° |
| C3 | C2 | C7 | H27 | 41.1° | 69.7° |
| C3 | C4 | C5 | C13 | 177.7° | 179.8° |
| C3 | C4 | C5 | H5 | 178.3° | 179.8° |
| C3 | C4 | C5 | C6 | 1.8° | 0.1° |
| C4 | C3 | C2 | C7 | 179.6° | 179.9° |
| C3 | C4 | C13 | C14 | 99.1° | 94.6° |
| C3 | C4 | C13 | H113 | 140.9° | 27.1° |
| C3 | C4 | C13 | H213 | 19.7° | 144.0° |
| H3 | C3 | C4 | C5 | 174.4° | 179.9° |
| H3 | C3 | C4 | C13 | 7.9° | 0.2° |
| H3 | C3 | C2 | C7 | 0.4° | 0.1° |
| C4 | C5 | H5 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C10 | 172.5° | 180.0° |
| C5 | C4 | C13 | C14 | 78.6° | 85.2° |
| C5 | C4 | C13 | H113 | 41.4° | 153.1° |
| C5 | C4 | C13 | H213 | 162.5° | 36.2° |
| C13 | C4 | C5 | H5 | 4.0° | 0.0° |
| C13 | C4 | C5 | C6 | 176.0° | 179.9° |
| C4 | C13 | C14 | H113 | 120.0° | 121.7° |
| C4 | C13 | C14 | H213 | 118.8° | 121.5° |
| C4 | C13 | H113 | H213 | 118.9° | 117.9° |
| C4 | C13 | C14 | C15 | 166.8° | 173.9° |
| C4 | C13 | C14 | H114 | 46.8° | 64.0° |
| C4 | C13 | C14 | H214 | 73.0° | 51.5° |
| H5 | C5 | C6 | C10 | 7.5° | 0.1° |
| C6 | C10 | H110 | H210 | 119.5° | 117.7° |
| C5 | C6 | C10 | H110 | 59.5° | 68.3° |
| C5 | C6 | C10 | H210 | 61.0° | 47.0° |
| C2 | C7 | H17 | H27 | 119.5° | 117.4° |
| C2 | C7 | S1 | C9 | 134.6° | 105.8° |
| H17 | C7 | S1 | C9 | 14.6° | 17.8° |
| H27 | C7 | S1 | C9 | 105.9° | 133.4° |
| S1 | C9 | H19 | H29 | 120.0° | 120.0° |
| S1 | C9 | H19 | H39 | 120.0° | 119.9° |
| S1 | C9 | H29 | H39 | 120.0° | 119.9° |
| H19 | C9 | H29 | H39 | 120.0° | 120.1° |
| H112 | C12 | H212 | H312 | 120.0° | 120.1° |
| C14 | C13 | H113 | H213 | 118.9° | 117.6° |
| C13 | C14 | C15 | H114 | 120.0° | 122.0° |
| C13 | C14 | C15 | H214 | 120.2° | 122.2° |
| C13 | C14 | H114 | H214 | 120.2° | 116.5° |
| C13 | C14 | C15 | P1 | 172.0° | 79.3° |
| C13 | C14 | C15 | H115 | 52.1° | 42.7° |
| C13 | C14 | C15 | H215 | 72.6° | 159.6° |
| H113 | C13 | C14 | C15 | 73.2° | 52.2° |
| H113 | C13 | C14 | H114 | 166.8° | 174.3° |
| H113 | C13 | C14 | H214 | 47.0° | 70.2° |
| H213 | C13 | C14 | C15 | 48.0° | 64.6° |
| H213 | C13 | C14 | H114 | 72.0° | 57.5° |
| H213 | C13 | C14 | H214 | 168.2° | 173.0° |
| C15 | C14 | H114 | H214 | 120.2° | 117.0° |
| C14 | C15 | P1 | H115 | 120.0° | 122.0° |
| C14 | C15 | P1 | H215 | 115.4° | 120.9° |
| C14 | C15 | H115 | H215 | 116.0° | 117.4° |
| H114 | C14 | C15 | P1 | 67.9° | 158.6° |
| H114 | C14 | C15 | H115 | 172.1° | 79.3° |
| H114 | C14 | C15 | H215 | 47.4° | 37.6° |
| H214 | C14 | C15 | P1 | 51.8° | 42.9° |
| H214 | C14 | C15 | H115 | 68.2° | 164.9° |
| H214 | C14 | C15 | H215 | 167.2° | 78.2° |
| P1 | C15 | H115 | H215 | 116.0° | 117.7° |
| C15 | P1 | O3 | C161 | 0.4° | 177.2° |
| C17 | C16 | H116 | H216 | 119.5° | 119.4° |
| C16 | C17 | H117 | H217 | 120.0° | 120.0° |
| C16 | C17 | H117 | H317 | 120.0° | 120.1° |
| C16 | C17 | H217 | H317 | 120.0° | 120.1° |
| H116 | C16 | C17 | H117 | 172.6° | 59.3° |
| H116 | C16 | C17 | H217 | 52.5° | 179.2° |
| H116 | C16 | C17 | H317 | 67.5° | 60.8° |
| H216 | C16 | C17 | H117 | 66.9° | 59.3° |
| H216 | C16 | C17 | H217 | 173.1° | 60.7° |
| H216 | C16 | C17 | H317 | 53.0° | 179.3° |
| H117 | C17 | H217 | H317 | 119.9° | 119.9° |
| O3 | C161 | C19 | C20 | 180.0° | 179.8° |
| O3 | C161 | C19 | C18 | 180.0° | 179.9° |
| O3 | C161 | C20 | C21 | 180.0° | 179.9° |
| O3 | C161 | C19 | H25 | 0.0° | 0.2° |
| O3 | C161 | C20 | H26 | 0.0° | 0.1° |
| C161 | C19 | C18 | C171 | 0.0° | 0.1° |
| C161 | C19 | C18 | H25 | 180.0° | 179.9° |
| C19 | C161 | C20 | C21 | 0.0° | 0.1° |
| C161 | C19 | C18 | H24 | 180.0° | 179.9° |
| C19 | C161 | C20 | H26 | 180.0° | 179.9° |
| C20 | C161 | C19 | C18 | 0.0° | 0.1° |
| C161 | C20 | C21 | H26 | 180.0° | 180.0° |
| C161 | C20 | C21 | C171 | 0.0° | 0.1° |
| C20 | C161 | C19 | H25 | 180.0° | 180.0° |
| C161 | C20 | C21 | H271 | 180.0° | 180.0° |
| C171 | C18 | C19 | H24 | 180.0° | 180.0° |
| C18 | C171 | C21 | C20 | 0.0° | 0.0° |
| C18 | C171 | C21 | N1 | 180.0° | 180.0° |
| C18 | C171 | N1 | O4 | 180.0° | 180.0° |
| C18 | C171 | N1 | O5 | 0.0° | 0.1° |
| C171 | C18 | C19 | H25 | 180.0° | 180.0° |
| C18 | C171 | C21 | H271 | 180.0° | 180.0° |
| C19 | C18 | C171 | C21 | 0.0° | 0.0° |
| C19 | C18 | C171 | N1 | 180.0° | 180.0° |
| C20 | C21 | C171 | H271 | 180.0° | 180.0° |
| C20 | C21 | C171 | N1 | 180.0° | 180.0° |
| C21 | C171 | N1 | O4 | 0.0° | 0.0° |
| C21 | C171 | N1 | O5 | 180.0° | 179.9° |
| C21 | C171 | C18 | H24 | 180.0° | 180.0° |
| C171 | C21 | C20 | H26 | 180.0° | 179.9° |
| C171 | N1 | O4 | O5 | 180.0° | 180.0° |
| N1 | C171 | C18 | H24 | 0.0° | 0.0° |
| N1 | C171 | C21 | H271 | 0.0° | 0.0° |
| H24 | C18 | C19 | H25 | 0.0° | 0.0° |
| H26 | C20 | C21 | H271 | 0.0° | 0.0° |
