TRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C28 | doub | 1.21Å | 1.23Å | |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C27 | C3 | sing | 1.53Å | 1.53Å | |
| C27 | C8 | sing | 1.53Å | 1.56Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C8 | N10 | sing | 1.47Å | 1.49Å | |
| C8 | C14 | sing | 1.54Å | 1.54Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| N10 | C9 | sing | 1.48Å | 1.47Å | |
| N10 | C2 | sing | 1.35Å | 1.37Å | |
| C9 | C12 | sing | 1.55Å | 1.53Å | |
| C9 | HC91 | sing | 1.09Å | 1.12Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C12 | C14 | sing | 1.55Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C14 | N3 | sing | 1.47Å | 1.44Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| N3 | S1 | sing | 1.66Å | 1.62Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| S1 | C1 | sing | 1.81Å | 1.76Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C1 | HC13 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | C5 | sing | 1.51Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C5 | HC5 | sing | 1.09Å | 1.12Å | |
| C6 | C13 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C7 | HC73 | sing | 1.09Å | 1.11Å | |
| N1 | C11 | sing | 1.35Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C11 | O3 | doub | 1.21Å | 1.21Å | |
| C11 | O6 | sing | 1.35Å | 1.35Å | |
| O6 | C15 | sing | 1.45Å | 1.46Å | |
| C15 | C21 | sing | 1.53Å | 1.55Å | |
| C15 | C26 | sing | 1.53Å | 1.54Å | |
| C15 | C25 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C28 | C27 | 131.8° | 120.0° |
| O1 | C28 | H28 | 100.1° | 120.0° |
| C27 | C28 | H28 | 128.1° | 120.0° |
| C28 | C27 | C3 | 109.7° | 109.5° |
| C28 | C27 | C8 | 107.0° | 109.4° |
| C28 | C27 | H27 | 113.6° | 109.5° |
| C3 | C27 | C8 | 116.0° | 109.5° |
| C3 | C27 | H27 | 104.0° | 109.5° |
| C27 | C3 | C4 | 110.0° | 109.5° |
| C27 | C3 | HC31 | 112.0° | 109.5° |
| C27 | C3 | HC32 | 112.0° | 109.4° |
| C8 | C27 | H27 | 106.8° | 109.5° |
| C27 | C8 | N10 | 122.5° | 109.9° |
| C27 | C8 | C14 | 113.6° | 109.9° |
| C27 | C8 | HC8 | 94.3° | 109.9° |
| C4 | C3 | HC31 | 112.0° | 109.5° |
| C4 | C3 | HC32 | 112.0° | 109.5° |
| C3 | C4 | HC41 | 110.0° | 109.5° |
| C3 | C4 | HC42 | 112.0° | 109.5° |
| C3 | C4 | HC43 | 112.0° | 109.5° |
| HC31 | C3 | HC32 | 98.3° | 109.5° |
| HC41 | C4 | HC42 | 112.0° | 109.4° |
| HC41 | C4 | HC43 | 112.0° | 109.4° |
| HC42 | C4 | HC43 | 98.5° | 109.4° |
| N10 | C8 | C14 | 102.9° | 107.4° |
| N10 | C8 | HC8 | 106.9° | 109.9° |
| C8 | N10 | C9 | 111.4° | 108.6° |
| C8 | N10 | C2 | 123.2° | 125.8° |
| C14 | C8 | HC8 | 117.2° | 109.8° |
| C8 | C14 | C12 | 106.2° | 102.9° |
| C8 | C14 | N3 | 108.9° | 110.7° |
| C8 | C14 | H14 | 112.3° | 110.7° |
| C9 | N10 | C2 | 125.4° | 125.7° |
| N10 | C9 | C12 | 104.2° | 104.8° |
| N10 | C9 | HC91 | 114.2° | 110.4° |
| N10 | C9 | HC92 | 114.2° | 110.3° |
| N10 | C2 | O2 | 120.4° | 120.0° |
| N10 | C2 | C5 | 118.7° | 120.0° |
| C12 | C9 | HC91 | 114.2° | 110.4° |
| C12 | C9 | HC92 | 114.2° | 110.4° |
| C9 | C12 | C14 | 101.8° | 101.6° |
| C9 | C12 | H121 | 115.1° | 110.9° |
| C9 | C12 | H122 | 115.1° | 111.0° |
| HC91 | C9 | HC92 | 96.2° | 110.5° |
| C14 | C12 | H121 | 115.1° | 111.0° |
| C14 | C12 | H122 | 115.1° | 111.0° |
| C12 | C14 | N3 | 110.6° | 110.8° |
| C12 | C14 | H14 | 110.7° | 110.7° |
| H121 | C12 | H122 | 95.3° | 110.9° |
| N3 | C14 | H14 | 108.2° | 110.7° |
| C14 | N3 | S1 | 120.4° | 120.0° |
| C14 | N3 | HN3 | 108.3° | 120.0° |
| S1 | N3 | HN3 | 108.3° | 120.0° |
| N3 | S1 | O4 | 101.8° | 102.8° |
| N3 | S1 | O5 | 105.1° | 102.8° |
| N3 | S1 | C1 | 106.5° | 103.2° |
| O4 | S1 | O5 | 123.6° | 122.1° |
| O4 | S1 | C1 | 114.0° | 111.6° |
| O5 | S1 | C1 | 104.4° | 111.6° |
| S1 | C1 | HC11 | 106.4° | 109.5° |
| S1 | C1 | HC12 | 113.3° | 109.5° |
| S1 | C1 | HC13 | 113.3° | 109.5° |
| HC11 | C1 | HC12 | 113.4° | 109.5° |
| HC11 | C1 | HC13 | 113.3° | 109.4° |
| HC12 | C1 | HC13 | 97.2° | 109.5° |
| O2 | C2 | C5 | 120.9° | 120.0° |
| C2 | C5 | C6 | 113.6° | 109.5° |
| C2 | C5 | N1 | 110.2° | 109.5° |
| C2 | C5 | HC5 | 103.0° | 109.5° |
| C6 | C5 | N1 | 96.3° | 109.5° |
| C6 | C5 | HC5 | 115.5° | 109.4° |
| C5 | C6 | C13 | 116.7° | 109.4° |
| C5 | C6 | C7 | 113.0° | 109.5° |
| C5 | C6 | HC6 | 101.3° | 109.5° |
| N1 | C5 | HC5 | 118.7° | 109.5° |
| C5 | N1 | C11 | 135.4° | 120.0° |
| C5 | N1 | HN1 | 118.8° | 119.9° |
| C13 | C6 | C7 | 109.0° | 109.5° |
| C13 | C6 | HC6 | 105.9° | 109.5° |
| C6 | C13 | H131 | 116.7° | 109.5° |
| C6 | C13 | H132 | 109.6° | 109.5° |
| C6 | C13 | H133 | 109.6° | 109.5° |
| C7 | C6 | HC6 | 110.3° | 109.5° |
| C6 | C7 | HC71 | 113.0° | 109.5° |
| C6 | C7 | HC72 | 110.9° | 109.4° |
| C6 | C7 | HC73 | 111.0° | 109.5° |
| H131 | C13 | H132 | 109.6° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 100.6° | 109.5° |
| HC71 | C7 | HC72 | 110.9° | 109.5° |
| HC71 | C7 | HC73 | 110.9° | 109.5° |
| HC72 | C7 | HC73 | 99.4° | 109.4° |
| C11 | N1 | HN1 | 105.8° | 120.1° |
| N1 | C11 | O3 | 125.0° | 120.0° |
| N1 | C11 | O6 | 105.3° | 119.9° |
| O3 | C11 | O6 | 129.7° | 120.0° |
| C11 | O6 | C15 | 134.7° | 120.0° |
| O6 | C15 | C21 | 114.7° | 109.5° |
| O6 | C15 | C26 | 106.5° | 109.4° |
| O6 | C15 | C25 | 110.9° | 109.5° |
| C21 | C15 | C26 | 105.9° | 109.5° |
| C21 | C15 | C25 | 112.8° | 109.5° |
| C15 | C21 | H211 | 114.7° | 109.5° |
| C15 | C21 | H212 | 110.3° | 109.5° |
| C15 | C21 | H213 | 110.3° | 109.4° |
| C26 | C15 | C25 | 105.2° | 109.4° |
| C15 | C26 | H261 | 106.4° | 109.5° |
| C15 | C26 | H262 | 113.3° | 109.5° |
| C15 | C26 | H263 | 113.3° | 109.5° |
| C15 | C25 | H251 | 110.9° | 109.4° |
| C15 | C25 | H252 | 111.7° | 109.4° |
| C15 | C25 | H253 | 111.7° | 109.5° |
| H211 | C21 | H212 | 110.3° | 109.5° |
| H211 | C21 | H213 | 110.4° | 109.5° |
| H212 | C21 | H213 | 100.0° | 109.5° |
| H261 | C26 | H262 | 113.4° | 109.4° |
| H261 | C26 | H263 | 113.4° | 109.4° |
| H262 | C26 | H263 | 97.1° | 109.5° |
| H251 | C25 | H252 | 111.7° | 109.4° |
| H251 | C25 | H253 | 111.7° | 109.5° |
| H252 | C25 | H253 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C28 | C27 | H28 | 180.0° | 180.0° |
| O1 | C28 | C27 | C3 | 4.7° | 120.0° |
| O1 | C28 | C27 | C8 | 121.9° | 120.0° |
| O1 | C28 | C27 | H27 | 120.5° | 0.0° |
| C28 | C27 | C3 | C8 | 121.3° | 120.0° |
| C28 | C27 | C3 | H27 | 121.7° | 120.0° |
| C28 | C27 | C8 | H27 | 121.9° | 120.0° |
| C28 | C27 | C3 | C4 | 96.4° | 180.0° |
| C28 | C27 | C3 | HC31 | 29.0° | 60.0° |
| C28 | C27 | C3 | HC32 | 138.4° | 60.1° |
| C28 | C27 | C8 | N10 | 175.1° | 51.9° |
| C28 | C27 | C8 | C14 | 50.5° | 66.1° |
| C28 | C27 | C8 | HC8 | 71.7° | 172.9° |
| H28 | C28 | C27 | C3 | 175.3° | 60.0° |
| H28 | C28 | C27 | C8 | 58.1° | 60.0° |
| H28 | C28 | C27 | H27 | 59.5° | 180.0° |
| C3 | C27 | C8 | H27 | 115.3° | 120.0° |
| C27 | C3 | C4 | HC31 | 125.3° | 120.0° |
| C27 | C3 | C4 | HC32 | 125.3° | 119.9° |
| C27 | C3 | HC31 | HC32 | 117.9° | 120.0° |
| C27 | C3 | C4 | HC41 | 180.0° | 180.0° |
| C27 | C3 | C4 | HC42 | 54.7° | 60.0° |
| C27 | C3 | C4 | HC43 | 54.8° | 60.0° |
| C3 | C27 | C8 | N10 | 52.3° | 68.1° |
| C3 | C27 | C8 | C14 | 72.2° | 173.9° |
| C3 | C27 | C8 | HC8 | 165.5° | 52.9° |
| C8 | C27 | C3 | C4 | 142.3° | 60.0° |
| C8 | C27 | C3 | HC31 | 92.4° | 60.0° |
| C8 | C27 | C3 | HC32 | 17.1° | 180.0° |
| C27 | C8 | N10 | C14 | 129.3° | 119.5° |
| C27 | C8 | N10 | HC8 | 106.7° | 121.1° |
| C27 | C8 | C14 | HC8 | 108.5° | 121.0° |
| C27 | C8 | N10 | C9 | 129.5° | 118.3° |
| C27 | C8 | N10 | C2 | 51.8° | 61.6° |
| C27 | C8 | C14 | C12 | 157.2° | 141.7° |
| C27 | C8 | C14 | N3 | 83.7° | 99.8° |
| C27 | C8 | C14 | H14 | 36.1° | 23.3° |
| H27 | C27 | C3 | C4 | 25.4° | 60.0° |
| H27 | C27 | C3 | HC31 | 150.7° | 179.9° |
| H27 | C27 | C3 | HC32 | 99.9° | 59.9° |
| H27 | C27 | C8 | N10 | 63.0° | 171.9° |
| H27 | C27 | C8 | C14 | 172.4° | 53.9° |
| H27 | C27 | C8 | HC8 | 50.2° | 67.1° |
| C4 | C3 | HC31 | HC32 | 117.9° | 120.0° |
| C3 | C4 | HC41 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC43 | 125.2° | 120.0° |
| C3 | C4 | HC42 | HC43 | 117.9° | 120.0° |
| HC31 | C3 | C4 | HC41 | 54.7° | 60.0° |
| HC31 | C3 | C4 | HC42 | 179.9° | 60.0° |
| HC31 | C3 | C4 | HC43 | 70.6° | 180.0° |
| HC32 | C3 | C4 | HC41 | 54.7° | 60.0° |
| HC32 | C3 | C4 | HC42 | 70.5° | 180.0° |
| HC32 | C3 | C4 | HC43 | 179.9° | 60.0° |
| HC41 | C4 | HC42 | HC43 | 117.9° | 119.9° |
| N10 | C8 | C14 | HC8 | 116.9° | 119.4° |
| C8 | N10 | C9 | C2 | 178.7° | 179.8° |
| C8 | N10 | C9 | C12 | 21.9° | 24.3° |
| C8 | N10 | C9 | HC91 | 147.2° | 94.6° |
| C8 | N10 | C9 | HC92 | 103.3° | 143.1° |
| N10 | C8 | C14 | C12 | 22.6° | 22.1° |
| N10 | C8 | C14 | N3 | 141.7° | 140.6° |
| N10 | C8 | C14 | H14 | 98.5° | 96.3° |
| C8 | N10 | C2 | O2 | 1.4° | 20.7° |
| C8 | N10 | C2 | C5 | 179.4° | 159.4° |
| C14 | C8 | N10 | C9 | 0.2° | 1.2° |
| C14 | C8 | N10 | C2 | 178.9° | 178.9° |
| C8 | C14 | C12 | C9 | 35.5° | 35.5° |
| C8 | C14 | C12 | N3 | 118.0° | 118.4° |
| C8 | C14 | C12 | H14 | 122.2° | 118.4° |
| C8 | C14 | C12 | H121 | 89.7° | 153.5° |
| C8 | C14 | C12 | H122 | 160.8° | 82.6° |
| C8 | C14 | N3 | H14 | 122.3° | 123.2° |
| C8 | C14 | N3 | S1 | 150.6° | 120.0° |
| C8 | C14 | N3 | HN3 | 84.2° | 60.0° |
| HC8 | C8 | N10 | C9 | 123.8° | 120.6° |
| HC8 | C8 | N10 | C2 | 54.9° | 59.5° |
| HC8 | C8 | C14 | C12 | 94.3° | 97.3° |
| HC8 | C8 | C14 | N3 | 24.8° | 21.2° |
| HC8 | C8 | C14 | H14 | 144.6° | 144.3° |
| N10 | C9 | C12 | HC91 | 125.3° | 118.9° |
| N10 | C9 | C12 | HC92 | 125.3° | 118.7° |
| N10 | C9 | HC91 | HC92 | 120.1° | 122.3° |
| N10 | C9 | C12 | C14 | 34.6° | 37.1° |
| N10 | C9 | C12 | H121 | 90.7° | 155.2° |
| N10 | C9 | C12 | H122 | 159.8° | 81.0° |
| C9 | N10 | C2 | O2 | 180.0° | 159.5° |
| C9 | N10 | C2 | C5 | 0.9° | 20.4° |
| C2 | N10 | C9 | C12 | 156.8° | 155.9° |
| C2 | N10 | C9 | HC91 | 31.5° | 85.3° |
| C2 | N10 | C9 | HC92 | 78.0° | 37.1° |
| N10 | C2 | O2 | C5 | 179.2° | 179.9° |
| N10 | C2 | C5 | C6 | 104.5° | 171.2° |
| N10 | C2 | C5 | N1 | 148.7° | 51.1° |
| N10 | C2 | C5 | HC5 | 21.1° | 68.9° |
| C12 | C9 | HC91 | HC92 | 120.0° | 122.3° |
| C9 | C12 | C14 | H121 | 125.3° | 118.0° |
| C9 | C12 | C14 | H122 | 125.3° | 118.1° |
| C9 | C12 | H121 | H122 | 121.0° | 123.9° |
| C9 | C12 | C14 | N3 | 153.5° | 154.0° |
| C9 | C12 | C14 | H14 | 86.6° | 82.8° |
| HC91 | C9 | C12 | C14 | 159.9° | 81.8° |
| HC91 | C9 | C12 | H121 | 34.6° | 36.3° |
| HC91 | C9 | C12 | H122 | 74.9° | 160.1° |
| HC92 | C9 | C12 | C14 | 90.8° | 155.8° |
| HC92 | C9 | C12 | H121 | 144.0° | 86.1° |
| HC92 | C9 | C12 | H122 | 34.5° | 37.7° |
| C14 | C12 | H121 | H122 | 121.0° | 123.9° |
| C12 | C14 | N3 | H14 | 121.3° | 123.2° |
| C12 | C14 | N3 | S1 | 93.0° | 126.4° |
| C12 | C14 | N3 | HN3 | 32.2° | 53.6° |
| H121 | C12 | C14 | N3 | 28.3° | 88.0° |
| H121 | C12 | C14 | H14 | 148.1° | 35.2° |
| H122 | C12 | C14 | N3 | 81.2° | 35.8° |
| H122 | C12 | C14 | H14 | 38.6° | 159.0° |
| C14 | N3 | S1 | HN3 | 125.2° | 180.0° |
| C14 | N3 | S1 | O4 | 43.8° | 56.2° |
| C14 | N3 | S1 | O5 | 86.2° | 176.2° |
| C14 | N3 | S1 | C1 | 163.5° | 60.0° |
| H14 | C14 | N3 | S1 | 28.3° | 3.2° |
| H14 | C14 | N3 | HN3 | 153.5° | 176.9° |
| N3 | S1 | O4 | O5 | 117.3° | 114.3° |
| N3 | S1 | O4 | C1 | 114.2° | 110.0° |
| N3 | S1 | O5 | C1 | 111.8° | 110.0° |
| N3 | S1 | C1 | HC11 | 180.0° | 180.0° |
| N3 | S1 | C1 | HC12 | 54.7° | 60.0° |
| N3 | S1 | C1 | HC13 | 54.8° | 60.0° |
| HN3 | N3 | S1 | O4 | 169.1° | 123.8° |
| HN3 | N3 | S1 | O5 | 39.1° | 3.8° |
| HN3 | N3 | S1 | C1 | 71.3° | 120.0° |
| O4 | S1 | O5 | C1 | 132.4° | 135.7° |
| O4 | S1 | C1 | HC11 | 68.5° | 70.3° |
| O4 | S1 | C1 | HC12 | 56.7° | 49.7° |
| O4 | S1 | C1 | HC13 | 166.2° | 169.7° |
| O5 | S1 | C1 | HC11 | 69.1° | 70.2° |
| O5 | S1 | C1 | HC12 | 165.6° | 169.8° |
| O5 | S1 | C1 | HC13 | 56.1° | 49.8° |
| S1 | C1 | HC11 | HC12 | 125.2° | 120.1° |
| S1 | C1 | HC11 | HC13 | 125.2° | 120.0° |
| S1 | C1 | HC12 | HC13 | 119.3° | 120.0° |
| HC11 | C1 | HC12 | HC13 | 119.3° | 119.9° |
| O2 | C2 | C5 | C6 | 74.7° | 8.7° |
| O2 | C2 | C5 | N1 | 32.1° | 128.8° |
| O2 | C2 | C5 | HC5 | 159.7° | 111.2° |
| C2 | C5 | C6 | N1 | 115.3° | 120.1° |
| C2 | C5 | C6 | HC5 | 118.7° | 119.9° |
| C2 | C5 | N1 | HC5 | 118.3° | 120.0° |
| C2 | C5 | C6 | C13 | 23.1° | 56.9° |
| C2 | C5 | C6 | C7 | 150.7° | 63.1° |
| C2 | C5 | C6 | HC6 | 91.3° | 176.8° |
| C2 | C5 | N1 | C11 | 91.3° | 150.0° |
| C2 | C5 | N1 | HN1 | 88.7° | 30.0° |
| C6 | C5 | N1 | HC5 | 123.7° | 119.9° |
| C5 | C6 | C13 | C7 | 129.5° | 120.0° |
| C5 | C6 | C13 | HC6 | 111.8° | 120.0° |
| C5 | C6 | C7 | HC6 | 112.5° | 120.1° |
| C5 | C6 | C13 | H131 | 180.0° | 180.0° |
| C5 | C6 | C13 | H132 | 54.7° | 60.0° |
| C5 | C6 | C13 | H133 | 54.8° | 60.0° |
| C5 | C6 | C7 | HC71 | 180.0° | 55.2° |
| C5 | C6 | C7 | HC72 | 54.8° | 64.9° |
| C5 | C6 | C7 | HC73 | 54.7° | 175.3° |
| C6 | C5 | N1 | C11 | 150.7° | 90.0° |
| C6 | C5 | N1 | HN1 | 29.3° | 90.0° |
| N1 | C5 | C6 | C13 | 138.4° | 63.2° |
| N1 | C5 | C6 | C7 | 94.0° | 176.8° |
| N1 | C5 | C6 | HC6 | 23.9° | 56.8° |
| C5 | N1 | C11 | HN1 | 180.0° | 180.0° |
| C5 | N1 | C11 | O3 | 1.3° | 0.1° |
| C5 | N1 | C11 | O6 | 180.0° | 180.0° |
| HC5 | C5 | C6 | C13 | 95.6° | 176.8° |
| HC5 | C5 | C6 | C7 | 32.0° | 56.9° |
| HC5 | C5 | C6 | HC6 | 150.0° | 63.2° |
| HC5 | C5 | N1 | C11 | 27.0° | 29.9° |
| HC5 | C5 | N1 | HN1 | 152.9° | 150.1° |
| C13 | C6 | C7 | HC6 | 115.9° | 120.0° |
| C6 | C13 | H131 | H132 | 125.3° | 120.0° |
| C6 | C13 | H131 | H133 | 125.2° | 120.0° |
| C6 | C13 | H132 | H133 | 115.4° | 120.0° |
| C13 | C6 | C7 | HC71 | 48.4° | 64.8° |
| C13 | C6 | C7 | HC72 | 76.8° | 175.2° |
| C13 | C6 | C7 | HC73 | 173.7° | 55.3° |
| C7 | C6 | C13 | H131 | 50.5° | 60.0° |
| C7 | C6 | C13 | H132 | 175.8° | 180.0° |
| C7 | C6 | C13 | H133 | 74.7° | 60.0° |
| C6 | C7 | HC71 | HC72 | 125.3° | 120.0° |
| C6 | C7 | HC71 | HC73 | 125.3° | 120.1° |
| C6 | C7 | HC72 | HC73 | 116.8° | 119.9° |
| HC6 | C6 | C13 | H131 | 68.2° | 60.0° |
| HC6 | C6 | C13 | H132 | 57.1° | 59.9° |
| HC6 | C6 | C13 | H133 | 166.6° | NaN° |
| HC6 | C6 | C7 | HC71 | 67.5° | 175.2° |
| HC6 | C6 | C7 | HC72 | 167.3° | 55.2° |
| HC6 | C6 | C7 | HC73 | 57.8° | 64.7° |
| H131 | C13 | H132 | H133 | 115.3° | 120.0° |
| HC71 | C7 | HC72 | HC73 | 116.7° | 120.0° |
| N1 | C11 | O3 | O6 | 178.4° | 179.9° |
| N1 | C11 | O6 | C15 | 165.0° | 180.0° |
| HN1 | N1 | C11 | O3 | 178.7° | 179.9° |
| HN1 | N1 | C11 | O6 | 0.0° | 0.0° |
| O3 | C11 | O6 | C15 | 16.4° | 0.1° |
| C11 | O6 | C15 | C21 | 34.8° | 179.9° |
| C11 | O6 | C15 | C26 | 151.6° | 60.0° |
| C11 | O6 | C15 | C25 | 94.4° | 59.9° |
| O6 | C15 | C21 | C26 | 117.1° | 120.0° |
| O6 | C15 | C21 | C25 | 128.2° | 120.0° |
| O6 | C15 | C26 | C25 | 117.8° | 119.9° |
| O6 | C15 | C21 | H211 | 179.9° | 179.9° |
| O6 | C15 | C21 | H212 | 54.8° | 60.0° |
| O6 | C15 | C21 | H213 | 54.7° | 60.0° |
| O6 | C15 | C26 | H261 | 180.0° | 60.0° |
| O6 | C15 | C26 | H262 | 54.7° | 59.9° |
| O6 | C15 | C26 | H263 | 54.7° | 180.0° |
| O6 | C15 | C25 | H251 | 180.0° | 60.1° |
| O6 | C15 | C25 | H252 | 54.7° | 180.0° |
| O6 | C15 | C25 | H253 | 54.7° | 59.9° |
| C21 | C15 | C26 | C25 | 119.7° | 120.0° |
| C15 | C21 | H211 | H212 | 125.2° | 120.0° |
| C15 | C21 | H211 | H213 | 125.3° | 120.0° |
| C15 | C21 | H212 | H213 | 116.1° | 119.9° |
| C21 | C15 | C26 | H261 | 57.5° | 60.0° |
| C21 | C15 | C26 | H262 | 67.8° | 180.0° |
| C21 | C15 | C26 | H263 | 177.2° | 59.9° |
| C21 | C15 | C25 | H251 | 49.8° | 60.0° |
| C21 | C15 | C25 | H252 | 175.1° | 59.9° |
| C21 | C15 | C25 | H253 | 75.5° | 180.0° |
| C26 | C15 | C21 | H211 | 62.9° | 59.9° |
| C26 | C15 | C21 | H212 | 171.9° | 180.0° |
| C26 | C15 | C21 | H213 | 62.4° | 60.0° |
| C15 | C26 | H261 | H262 | 125.2° | 120.1° |
| C15 | C26 | H261 | H263 | 125.2° | 120.0° |
| C15 | C26 | H262 | H263 | 119.2° | 120.0° |
| C26 | C15 | C25 | H251 | 65.3° | 180.0° |
| C26 | C15 | C25 | H252 | 60.1° | 60.1° |
| C26 | C15 | C25 | H253 | 169.4° | 60.0° |
| C25 | C15 | C21 | H211 | 51.7° | 60.0° |
| C25 | C15 | C21 | H212 | 73.5° | 60.0° |
| C25 | C15 | C21 | H213 | 177.1° | 180.0° |
| C25 | C15 | C26 | H261 | 62.2° | 180.0° |
| C25 | C15 | C26 | H262 | 172.5° | 60.0° |
| C25 | C15 | C26 | H263 | 63.0° | 60.1° |
| C15 | C25 | H251 | H252 | 125.3° | 119.9° |
| C15 | C25 | H251 | H253 | 125.3° | 120.0° |
| C15 | C25 | H252 | H253 | 117.6° | 120.0° |
| H211 | C21 | H212 | H213 | 116.2° | 120.0° |
| H261 | C26 | H262 | H263 | 119.3° | 120.0° |
| H251 | C25 | H252 | H253 | 117.5° | 120.0° |
