KTN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| N1 | C3 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C4 | sing | 1.46Å | 1.39Å | |
| C1 | N2 | doub | 1.31Å | 1.28Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| N2 | C2 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.47Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C5 | O1 | sing | 1.44Å | 1.38Å | |
| C5 | O2 | sing | 1.43Å | 1.38Å | |
| C5 | C8 | sing | 1.51Å | 1.60Å | |
| O1 | C6 | sing | 1.45Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.56Å | |
| C6 | C14 | sing | 1.53Å | 1.51Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| C7 | O2 | sing | 1.44Å | 1.42Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | doub | 1.38Å | 1.45Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | CL2 | sing | 1.74Å | 1.76Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.74Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | O3 | sing | 1.43Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| O3 | C15 | sing | 1.36Å | 1.38Å | |
| C15 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.30Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | N3 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| N3 | C21 | sing | 1.47Å | 1.45Å | |
| N3 | C24 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | N4 | sing | 1.47Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| N4 | C23 | sing | 1.47Å | 1.48Å | |
| N4 | C25 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | O4 | doub | 1.21Å | 1.21Å | |
| C25 | C26 | sing | 1.51Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C3 | 107.9° | 107.2° |
| C1 | N1 | C4 | 123.6° | 126.4° |
| N1 | C1 | N2 | 111.8° | 108.7° |
| N1 | C1 | HC1 | 126.2° | 125.7° |
| C3 | N1 | C4 | 128.5° | 126.4° |
| N1 | C3 | C2 | 104.0° | 106.8° |
| N1 | C3 | HC3 | 128.4° | 126.5° |
| N1 | C4 | C5 | 100.8° | 109.5° |
| N1 | C4 | HC41 | 115.5° | 109.5° |
| N1 | C4 | HC42 | 115.5° | 109.5° |
| N2 | C1 | HC1 | 122.1° | 125.6° |
| C1 | N2 | C2 | 104.3° | 109.3° |
| N2 | C2 | C3 | 112.0° | 108.0° |
| N2 | C2 | HC2 | 124.8° | 126.0° |
| C3 | C2 | HC2 | 123.2° | 126.0° |
| C2 | C3 | HC3 | 127.6° | 126.6° |
| C5 | C4 | HC41 | 115.6° | 109.5° |
| C5 | C4 | HC42 | 115.6° | 109.4° |
| C4 | C5 | O1 | 118.2° | 109.6° |
| C4 | C5 | O2 | 129.2° | 109.6° |
| C4 | C5 | C8 | 79.9° | 109.6° |
| HC41 | C4 | HC42 | 94.9° | 109.4° |
| O1 | C5 | O2 | 112.4° | 108.8° |
| O1 | C5 | C8 | 98.9° | 109.5° |
| C5 | O1 | C6 | 106.0° | 104.8° |
| O2 | C5 | C8 | 88.1° | 109.6° |
| C5 | O2 | C7 | 112.3° | 107.3° |
| C5 | C8 | C9 | 125.1° | 120.1° |
| C5 | C8 | C13 | 120.2° | 120.0° |
| O1 | C6 | C7 | 104.3° | 101.8° |
| O1 | C6 | C14 | 100.0° | 110.9° |
| O1 | C6 | HC6 | 121.6° | 111.0° |
| C7 | C6 | C14 | 117.9° | 111.0° |
| C7 | C6 | HC6 | 105.0° | 111.0° |
| C6 | C7 | O2 | 103.6° | 103.0° |
| C6 | C7 | HC71 | 114.4° | 110.7° |
| C6 | C7 | HC72 | 114.4° | 110.7° |
| C14 | C6 | HC6 | 108.9° | 110.9° |
| C6 | C14 | O3 | 98.4° | 109.5° |
| C6 | C14 | H141 | 116.5° | 109.4° |
| C6 | C14 | H142 | 116.5° | 109.4° |
| O2 | C7 | HC71 | 114.4° | 110.7° |
| O2 | C7 | HC72 | 114.4° | 110.7° |
| HC71 | C7 | HC72 | 96.1° | 110.8° |
| C9 | C8 | C13 | 114.7° | 120.0° |
| C8 | C9 | C10 | 122.4° | 120.0° |
| C8 | C9 | CL2 | 123.3° | 120.0° |
| C8 | C13 | C12 | 123.3° | 120.1° |
| C8 | C13 | H13 | 119.5° | 120.0° |
| C10 | C9 | CL2 | 114.3° | 120.0° |
| C9 | C10 | C11 | 118.9° | 120.0° |
| C9 | C10 | H10 | 120.7° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | 121.2° | 119.9° |
| C10 | C11 | CL1 | 119.6° | 120.1° |
| C12 | C11 | CL1 | 119.2° | 120.0° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | H13 | 117.2° | 120.0° |
| O3 | C14 | H141 | 116.5° | 109.5° |
| O3 | C14 | H142 | 116.5° | 109.5° |
| C14 | O3 | C15 | 119.6° | 106.8° |
| H141 | C14 | H142 | 94.0° | 109.5° |
| O3 | C15 | C16 | 123.5° | 120.0° |
| O3 | C15 | C20 | 109.1° | 120.0° |
| C16 | C15 | C20 | 127.3° | 120.0° |
| C15 | C16 | C17 | 116.7° | 120.0° |
| C15 | C16 | H16 | 120.6° | 120.0° |
| C15 | C20 | C19 | 115.0° | 120.0° |
| C15 | C20 | H20 | 120.2° | 120.0° |
| C17 | C16 | H16 | 122.6° | 120.0° |
| C16 | C17 | C18 | 118.7° | 120.0° |
| C16 | C17 | H17 | 121.4° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.1° |
| C17 | C18 | C19 | 119.2° | 120.0° |
| C17 | C18 | N3 | 118.0° | 120.0° |
| C19 | C18 | N3 | 122.8° | 120.0° |
| C18 | C19 | C20 | 123.1° | 120.0° |
| C18 | C19 | H19 | 118.6° | 120.0° |
| C18 | N3 | C21 | 115.3° | 106.7° |
| C18 | N3 | C24 | 112.6° | 106.7° |
| C20 | C19 | H19 | 118.3° | 120.0° |
| C19 | C20 | H20 | 124.9° | 120.0° |
| C21 | N3 | C24 | 109.8° | 107.4° |
| N3 | C21 | C22 | 110.4° | 109.6° |
| N3 | C21 | H211 | 111.8° | 109.5° |
| N3 | C21 | H212 | 111.8° | 109.4° |
| N3 | C24 | C23 | 113.6° | 109.6° |
| N3 | C24 | H241 | 110.7° | 109.4° |
| N3 | C24 | H242 | 110.7° | 109.4° |
| C22 | C21 | H211 | 111.9° | 109.5° |
| C22 | C21 | H212 | 111.9° | 109.5° |
| C21 | C22 | N4 | 109.4° | 108.4° |
| C21 | C22 | H221 | 112.2° | 109.7° |
| C21 | C22 | H222 | 112.2° | 109.7° |
| H211 | C21 | H212 | 98.6° | 109.4° |
| N4 | C22 | H221 | 112.2° | 109.7° |
| N4 | C22 | H222 | 112.2° | 109.7° |
| C22 | N4 | C23 | 113.4° | 117.8° |
| C22 | N4 | C25 | 125.3° | 121.1° |
| H221 | C22 | H222 | 98.2° | 109.7° |
| C23 | N4 | C25 | 121.3° | 121.1° |
| N4 | C23 | C24 | 110.2° | 108.6° |
| N4 | C23 | H231 | 112.0° | 109.8° |
| N4 | C23 | H232 | 112.0° | 109.3° |
| N4 | C25 | O4 | 120.8° | 120.0° |
| N4 | C25 | C26 | 118.1° | 120.0° |
| C24 | C23 | H231 | 111.9° | 109.7° |
| C24 | C23 | H232 | 111.9° | 109.7° |
| C23 | C24 | H241 | 110.7° | 109.5° |
| C23 | C24 | H242 | 110.7° | 109.3° |
| H231 | C23 | H232 | 98.5° | 109.7° |
| H241 | C24 | H242 | 99.5° | 109.5° |
| O4 | C25 | C26 | 121.2° | 119.9° |
| C25 | C26 | H261 | 118.0° | 109.5° |
| C25 | C26 | H262 | 109.1° | 109.5° |
| C25 | C26 | H263 | 109.1° | 109.5° |
| H261 | C26 | H262 | 109.2° | 109.4° |
| H261 | C26 | H263 | 109.1° | 109.5° |
| H262 | C26 | H263 | 101.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C3 | C4 | 178.4° | 179.8° |
| N1 | C1 | N2 | HC1 | 180.0° | 179.6° |
| N1 | C1 | N2 | C2 | 0.1° | 0.4° |
| C1 | N1 | C3 | C2 | 0.1° | 0.2° |
| C1 | N1 | C3 | HC3 | 179.9° | 179.8° |
| C1 | N1 | C4 | C5 | 57.6° | 90.3° |
| C1 | N1 | C4 | HC41 | 67.7° | 149.7° |
| C1 | N1 | C4 | HC42 | 177.1° | 29.7° |
| C3 | N1 | C1 | N2 | 0.0° | 0.4° |
| C3 | N1 | C1 | HC1 | 180.0° | 180.0° |
| N1 | C3 | C2 | N2 | 0.2° | 0.0° |
| N1 | C3 | C2 | HC3 | 180.0° | 180.0° |
| N1 | C3 | C2 | HC2 | 179.8° | 180.0° |
| C3 | N1 | C4 | C5 | 120.5° | 90.0° |
| C3 | N1 | C4 | HC41 | 114.2° | 30.1° |
| C3 | N1 | C4 | HC42 | 4.8° | 150.0° |
| C4 | N1 | C1 | N2 | 178.5° | 179.8° |
| C4 | N1 | C1 | HC1 | 1.5° | 0.2° |
| C4 | N1 | C3 | C2 | 178.5° | 180.0° |
| C4 | N1 | C3 | HC3 | 1.5° | 0.0° |
| N1 | C4 | C5 | HC41 | 125.3° | 120.1° |
| N1 | C4 | C5 | HC42 | 125.2° | 120.0° |
| N1 | C4 | HC41 | HC42 | 121.3° | 120.0° |
| N1 | C4 | C5 | O1 | 85.5° | 53.8° |
| N1 | C4 | C5 | O2 | 100.7° | 65.6° |
| N1 | C4 | C5 | C8 | 179.8° | 174.0° |
| C1 | N2 | C2 | C3 | 0.1° | 0.3° |
| C1 | N2 | C2 | HC2 | 179.9° | 179.7° |
| HC1 | C1 | N2 | C2 | 179.9° | 180.0° |
| N2 | C2 | C3 | HC2 | 180.0° | 180.0° |
| N2 | C2 | C3 | HC3 | 179.9° | 179.9° |
| HC2 | C2 | C3 | HC3 | 0.2° | 0.1° |
| C5 | C4 | HC41 | HC42 | 121.4° | 119.9° |
| C4 | C5 | O1 | O2 | 174.9° | 119.9° |
| C4 | C5 | O1 | C8 | 83.3° | 120.3° |
| C4 | C5 | O2 | C8 | 75.4° | 120.4° |
| C4 | C5 | O1 | C6 | 179.6° | 95.6° |
| C4 | C5 | O2 | C7 | 170.8° | 119.2° |
| C4 | C5 | C8 | C9 | 67.6° | 68.8° |
| C4 | C5 | C8 | C13 | 112.5° | 111.5° |
| HC41 | C4 | C5 | O1 | 39.8° | 173.8° |
| HC41 | C4 | C5 | O2 | 134.1° | 54.5° |
| HC41 | C4 | C5 | C8 | 54.9° | 65.9° |
| HC42 | C4 | C5 | O1 | 149.3° | 66.2° |
| HC42 | C4 | C5 | O2 | 24.6° | 174.4° |
| HC42 | C4 | C5 | C8 | 54.6° | 54.0° |
| O1 | C5 | O2 | C8 | 98.8° | 119.8° |
| C5 | O1 | C6 | C7 | 10.1° | 36.1° |
| C5 | O1 | C6 | C14 | 132.5° | 154.2° |
| C5 | O1 | C6 | HC6 | 107.9° | 82.1° |
| O1 | C5 | O2 | C7 | 3.4° | 0.7° |
| O1 | C5 | C8 | C9 | 175.2° | 51.5° |
| O1 | C5 | C8 | C13 | 4.7° | 128.2° |
| O2 | C5 | O1 | C6 | 4.7° | 24.3° |
| C5 | O2 | C7 | C6 | 9.6° | 21.4° |
| C5 | O2 | C7 | HC71 | 134.8° | 139.8° |
| C5 | O2 | C7 | HC72 | 115.6° | 97.0° |
| O2 | C5 | C8 | C9 | 62.8° | 170.8° |
| O2 | C5 | C8 | C13 | 117.1° | 8.9° |
| C8 | C5 | O1 | C6 | 96.3° | 144.1° |
| C8 | C5 | O2 | C7 | 95.4° | 120.4° |
| C5 | C8 | C9 | C13 | 179.8° | 179.7° |
| C5 | C8 | C9 | C10 | 179.9° | 179.7° |
| C5 | C8 | C9 | CL2 | 0.1° | 0.3° |
| C5 | C8 | C13 | C12 | 179.8° | 180.0° |
| C5 | C8 | C13 | H13 | 0.2° | 0.0° |
| O1 | C6 | C7 | C14 | 109.8° | 118.1° |
| O1 | C6 | C7 | HC6 | 128.9° | 118.2° |
| O1 | C6 | C14 | HC6 | 128.5° | 123.8° |
| O1 | C6 | C7 | O2 | 11.6° | 35.5° |
| O1 | C6 | C7 | HC71 | 136.8° | 154.0° |
| O1 | C6 | C7 | HC72 | 113.6° | 82.8° |
| O1 | C6 | C14 | O3 | 35.8° | 64.5° |
| O1 | C6 | C14 | H141 | 89.4° | 175.4° |
| O1 | C6 | C14 | H142 | 161.1° | 55.5° |
| C7 | C6 | C14 | HC6 | 119.3° | 123.8° |
| C6 | C7 | O2 | HC71 | 125.2° | 118.4° |
| C6 | C7 | O2 | HC72 | 125.3° | 118.4° |
| C6 | C7 | HC71 | HC72 | 120.4° | 123.2° |
| C7 | C6 | C14 | O3 | 148.0° | 176.9° |
| C7 | C6 | C14 | H141 | 22.7° | 63.1° |
| C7 | C6 | C14 | H142 | 86.8° | 56.9° |
| C14 | C6 | C7 | O2 | 121.4° | 153.6° |
| C14 | C6 | C7 | HC71 | 113.4° | 88.0° |
| C14 | C6 | C7 | HC72 | 3.9° | 35.3° |
| C6 | C14 | O3 | H141 | 125.2° | 120.0° |
| C6 | C14 | O3 | H142 | 125.2° | 120.0° |
| C6 | C14 | H141 | H142 | 122.2° | 119.9° |
| C6 | C14 | O3 | C15 | 171.2° | 180.0° |
| HC6 | C6 | C7 | O2 | 117.2° | 82.6° |
| HC6 | C6 | C7 | HC71 | 8.0° | 35.8° |
| HC6 | C6 | C7 | HC72 | 117.5° | 159.0° |
| HC6 | C6 | C14 | O3 | 92.7° | 59.3° |
| HC6 | C6 | C14 | H141 | 142.1° | 60.8° |
| HC6 | C6 | C14 | H142 | 32.5° | 179.3° |
| O2 | C7 | HC71 | HC72 | 120.3° | 123.2° |
| C8 | C9 | C10 | CL2 | 180.0° | 179.4° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C8 | C9 | C10 | H10 | 179.6° | 179.6° |
| C9 | C8 | C13 | C12 | 0.0° | 0.3° |
| C9 | C8 | C13 | H13 | 179.9° | 179.8° |
| C13 | C8 | C9 | C10 | 0.0° | 0.6° |
| C13 | C8 | C9 | CL2 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.3° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | H12 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 179.9° | 179.8° |
| C9 | C10 | C11 | C12 | 0.7° | 0.2° |
| C9 | C10 | C11 | CL1 | 179.7° | 179.7° |
| CL2 | C9 | C10 | C11 | 179.6° | 180.0° |
| CL2 | C9 | C10 | H10 | 0.4° | 0.2° |
| C10 | C11 | C12 | CL1 | 179.6° | 179.9° |
| C10 | C11 | C12 | C13 | 0.6° | 0.1° |
| C10 | C11 | C12 | H12 | 179.3° | 180.0° |
| H10 | C10 | C11 | C12 | 179.2° | 180.0° |
| H10 | C10 | C11 | CL1 | 0.4° | 0.2° |
| C11 | C12 | C13 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| CL1 | C11 | C12 | C13 | 179.7° | 180.0° |
| CL1 | C11 | C12 | H12 | 0.3° | 0.1° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| O3 | C14 | H141 | H142 | 122.3° | 120.1° |
| C14 | O3 | C15 | C16 | 2.7° | 180.0° |
| C14 | O3 | C15 | C20 | 179.9° | 0.0° |
| H141 | C14 | O3 | C15 | 46.0° | 60.0° |
| H142 | C14 | O3 | C15 | 63.6° | 60.0° |
| O3 | C15 | C16 | C20 | 176.7° | 180.0° |
| O3 | C15 | C16 | C17 | 176.3° | 180.0° |
| O3 | C15 | C16 | H16 | 3.7° | 0.0° |
| O3 | C15 | C20 | C19 | 177.3° | 179.7° |
| O3 | C15 | C20 | H20 | 2.6° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.1° |
| C15 | C16 | C17 | H17 | 179.1° | 180.0° |
| C16 | C15 | C20 | C19 | 0.3° | 0.3° |
| C16 | C15 | C20 | H20 | 179.7° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.0° |
| C20 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C20 | C19 | C18 | 2.3° | 0.6° |
| C15 | C20 | C19 | H20 | 180.0° | 179.7° |
| C15 | C20 | C19 | H19 | 177.7° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 2.8° | 0.2° |
| C16 | C17 | C18 | N3 | 179.2° | 180.0° |
| H16 | C16 | C17 | C18 | 179.0° | 180.0° |
| H16 | C16 | C17 | H17 | 0.9° | 0.0° |
| C17 | C18 | C19 | N3 | 177.9° | 179.8° |
| C17 | C18 | C19 | C20 | 3.7° | 0.5° |
| C17 | C18 | C19 | H19 | 176.3° | 180.0° |
| C17 | C18 | N3 | C21 | 40.2° | 180.0° |
| C17 | C18 | N3 | C24 | 86.9° | 65.4° |
| H17 | C17 | C18 | C19 | 177.2° | 179.7° |
| H17 | C17 | C18 | N3 | 0.8° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.4° |
| C18 | C19 | C20 | H20 | 177.7° | 179.7° |
| C19 | C18 | N3 | C21 | 137.8° | 0.3° |
| C19 | C18 | N3 | C24 | 95.2° | 114.9° |
| N3 | C18 | C19 | C20 | 178.4° | 179.7° |
| N3 | C18 | C19 | H19 | 1.5° | 0.3° |
| C18 | N3 | C21 | C24 | 128.4° | 114.1° |
| C18 | N3 | C21 | C22 | 170.2° | 179.0° |
| C18 | N3 | C21 | H211 | 44.9° | 59.0° |
| C18 | N3 | C21 | H212 | 64.6° | 60.9° |
| C18 | N3 | C24 | C23 | 109.8° | 179.1° |
| C18 | N3 | C24 | H241 | 124.9° | 59.0° |
| C18 | N3 | C24 | H242 | 15.5° | 60.9° |
| H19 | C19 | C20 | H20 | 2.3° | 0.3° |
| N3 | C21 | C22 | H211 | 125.2° | 120.1° |
| N3 | C21 | C22 | H212 | 125.2° | 120.1° |
| N3 | C21 | H211 | H212 | 117.7° | 119.9° |
| N3 | C21 | C22 | N4 | 71.6° | 56.0° |
| N3 | C21 | C22 | H221 | 163.1° | 63.8° |
| N3 | C21 | C22 | H222 | 53.7° | 175.7° |
| C21 | N3 | C24 | C23 | 20.2° | 66.7° |
| C21 | N3 | C24 | H241 | 105.1° | 173.1° |
| C21 | N3 | C24 | H242 | 145.5° | 53.2° |
| C24 | N3 | C21 | C22 | 41.7° | 66.8° |
| C24 | N3 | C21 | H211 | 83.5° | 173.1° |
| C24 | N3 | C21 | H212 | 166.9° | 53.2° |
| N3 | C24 | C23 | N4 | 57.7° | 55.7° |
| N3 | C24 | C23 | H241 | 125.3° | 120.1° |
| N3 | C24 | C23 | H242 | 125.3° | 120.0° |
| N3 | C24 | C23 | H231 | 67.5° | 175.7° |
| N3 | C24 | C23 | H232 | 177.0° | 63.8° |
| N3 | C24 | H241 | H242 | 116.5° | 119.9° |
| C22 | C21 | H211 | H212 | 117.9° | 119.9° |
| C21 | C22 | N4 | H221 | 125.3° | 119.7° |
| C21 | C22 | N4 | H222 | 125.2° | 119.8° |
| C21 | C22 | H221 | H222 | 118.1° | 120.5° |
| C21 | C22 | N4 | C23 | 31.2° | 48.7° |
| C21 | C22 | N4 | C25 | 150.2° | 130.9° |
| H211 | C21 | C22 | N4 | 53.6° | 176.0° |
| H211 | C21 | C22 | H221 | 71.6° | 56.3° |
| H211 | C21 | C22 | H222 | 178.9° | 64.2° |
| H212 | C21 | C22 | N4 | 163.2° | 64.1° |
| H212 | C21 | C22 | H221 | 38.0° | 176.2° |
| H212 | C21 | C22 | H222 | 71.5° | 55.7° |
| N4 | C22 | H221 | H222 | 118.1° | 120.5° |
| C22 | N4 | C23 | C25 | 178.6° | 179.6° |
| C22 | N4 | C23 | C24 | 28.7° | 48.7° |
| C22 | N4 | C23 | H231 | 96.5° | 168.6° |
| C22 | N4 | C23 | H232 | 154.0° | 71.1° |
| C22 | N4 | C25 | O4 | 178.0° | 0.1° |
| C22 | N4 | C25 | C26 | 2.1° | 180.0° |
| H221 | C22 | N4 | C23 | 156.5° | 71.1° |
| H221 | C22 | N4 | C25 | 25.0° | 109.3° |
| H222 | C22 | N4 | C23 | 94.0° | 168.4° |
| H222 | C22 | N4 | C25 | 84.5° | 11.2° |
| N4 | C23 | C24 | H231 | 125.3° | 120.0° |
| N4 | C23 | C24 | H232 | 125.3° | 119.5° |
| N4 | C23 | H231 | H232 | 117.9° | 120.1° |
| N4 | C23 | C24 | H241 | 67.6° | 175.8° |
| N4 | C23 | C24 | H242 | 177.0° | 64.2° |
| C23 | N4 | C25 | O4 | 0.5° | 179.7° |
| C23 | N4 | C25 | C26 | 179.5° | 0.3° |
| C25 | N4 | C23 | C24 | 149.9° | 131.0° |
| C25 | N4 | C23 | H231 | 84.9° | 11.1° |
| C25 | N4 | C23 | H232 | 24.6° | 109.3° |
| N4 | C25 | O4 | C26 | 180.0° | 180.0° |
| N4 | C25 | C26 | H261 | 180.0° | 180.0° |
| N4 | C25 | C26 | H262 | 54.7° | 60.0° |
| N4 | C25 | C26 | H263 | 54.8° | 60.0° |
| C24 | C23 | H231 | H232 | 117.8° | 120.6° |
| C23 | C24 | H241 | H242 | 116.6° | 119.9° |
| H231 | C23 | C24 | H241 | 167.1° | 64.2° |
| H231 | C23 | C24 | H242 | 57.7° | 55.7° |
| H232 | C23 | C24 | H241 | 57.7° | 56.3° |
| H232 | C23 | C24 | H242 | 51.7° | 176.3° |
| O4 | C25 | C26 | H261 | 0.1° | 0.0° |
| O4 | C25 | C26 | H262 | 125.3° | 120.0° |
| O4 | C25 | C26 | H263 | 125.3° | 120.1° |
| C25 | C26 | H261 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H263 | 125.2° | 120.1° |
| C25 | C26 | H262 | H263 | 114.8° | 120.0° |
| H261 | C26 | H262 | H263 | 114.8° | 120.0° |
