K1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.34Å | |
| N4 | C4 | sing | 1.35Å | 1.39Å | Aromatic |
| N4 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| C | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | O10 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.55Å | 1.54Å | |
| C22 | C5 | sing | 1.54Å | 1.54Å | |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| O9 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C6 | sing | 1.55Å | 1.52Å | |
| C2 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C5 | sing | 1.46Å | 1.46Å | |
| C1 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | O | sing | 1.44Å | 1.41Å | |
| C6 | O | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| N6 | C13 | sing | 1.38Å | 1.34Å | |
| O3 | C18 | sing | 1.43Å | 1.42Å | |
| O1 | C8 | sing | 1.43Å | 1.42Å | |
| C13 | N7 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| N7 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C12 | sing | 1.35Å | 1.39Å | Aromatic |
| N5 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | trip | 1.17Å | 1.19Å | |
| C10 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | N9 | sing | 1.37Å | 1.39Å | Aromatic |
| C14 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C15 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| O2 | C17 | sing | 1.44Å | 1.45Å | |
| O2 | C16 | sing | 1.44Å | 1.42Å | |
| N9 | C16 | sing | 1.46Å | 1.45Å | |
| C17 | C19 | sing | 1.54Å | 1.53Å | |
| C16 | C20 | sing | 1.55Å | 1.53Å | |
| C20 | C19 | sing | 1.55Å | 1.53Å | |
| C20 | O5 | sing | 1.43Å | 1.44Å | |
| C19 | O4 | sing | 1.43Å | 1.42Å | |
| O5 | P | sing | 1.61Å | 1.63Å | |
| O6 | P | doub | 1.48Å | 1.52Å | |
| P | O8 | sing | 1.61Å | 1.51Å | |
| P | O7 | sing | 1.61Å | 1.52Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O7 | H9 | sing | 0.97Å | 0.95Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| O10 | H26 | sing | 0.97Å | 0.95Å | |
| O9 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C4 | 123.9° | 120.8° |
| N | C | N1 | 118.5° | 120.8° |
| C | N | H12 | 109.5° | 120.0° |
| C | N | H13 | 109.5° | 120.0° |
| C4 | N4 | C3 | 103.7° | 109.5° |
| N4 | C4 | C | 132.4° | 134.7° |
| N4 | C4 | C2 | 110.6° | 107.1° |
| N4 | C3 | N3 | 114.1° | 110.0° |
| N4 | C3 | H23 | 123.0° | 125.0° |
| C4 | C | N1 | 117.6° | 118.4° |
| C | C4 | C2 | 117.0° | 118.2° |
| C | N1 | C1 | 118.8° | 121.2° |
| C4 | C2 | N3 | 106.0° | 106.0° |
| C4 | C2 | N2 | 126.6° | 119.1° |
| C3 | N3 | C2 | 105.7° | 107.4° |
| C3 | N3 | C5 | 127.4° | 126.2° |
| N3 | C3 | H23 | 123.0° | 125.0° |
| O10 | C22 | C21 | 111.5° | 110.5° |
| O10 | C22 | C5 | 110.9° | 110.6° |
| O10 | C22 | H22 | 111.4° | 110.5° |
| C22 | O10 | H26 | 109.5° | 114.0° |
| C21 | C22 | C5 | 103.5° | 104.1° |
| C22 | C21 | O9 | 111.9° | 110.7° |
| C22 | C21 | C6 | 102.8° | 104.1° |
| C22 | C21 | H21 | 109.8° | 110.5° |
| C21 | C22 | H22 | 109.7° | 110.5° |
| C22 | C5 | N3 | 114.0° | 110.5° |
| C22 | C5 | O | 107.4° | 104.8° |
| C22 | C5 | H2 | 107.9° | 110.4° |
| C5 | C22 | H22 | 109.7° | 110.6° |
| N1 | C1 | N2 | 128.9° | 122.5° |
| N1 | C1 | H14 | 115.6° | 118.8° |
| O9 | C21 | C6 | 110.7° | 110.5° |
| O9 | C21 | H21 | 111.4° | 110.5° |
| C21 | O9 | H27 | 109.5° | 114.0° |
| C21 | C6 | O | 103.8° | 104.8° |
| C21 | C6 | C7 | 115.8° | 110.4° |
| C21 | C6 | H4 | 108.6° | 110.4° |
| C6 | C21 | H21 | 110.0° | 110.5° |
| N3 | C2 | N2 | 127.4° | 134.9° |
| C2 | N3 | C5 | 126.8° | 126.3° |
| C2 | N2 | C1 | 111.0° | 120.7° |
| N3 | C5 | O | 108.9° | 110.4° |
| N3 | C5 | H2 | 108.9° | 110.3° |
| N2 | C1 | H14 | 115.5° | 118.8° |
| C5 | O | C6 | 107.4° | 105.3° |
| O | C5 | H2 | 109.5° | 110.4° |
| O | C6 | C7 | 110.2° | 110.4° |
| O | C6 | H4 | 109.6° | 110.4° |
| C6 | C7 | O1 | 109.5° | 109.5° |
| C7 | C6 | H4 | 108.7° | 110.4° |
| C6 | C7 | H5 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C7 | O1 | C8 | 116.1° | 114.0° |
| O1 | C7 | H5 | 109.5° | 109.4° |
| O1 | C7 | H6 | 109.5° | 109.5° |
| N6 | C13 | N7 | 118.5° | 120.7° |
| N6 | C13 | C12 | 123.9° | 120.8° |
| C13 | N6 | H24 | 109.5° | 120.1° |
| C13 | N6 | H25 | 109.5° | 120.0° |
| O3 | C18 | C17 | 111.5° | 109.5° |
| C18 | O3 | H1 | 109.5° | 114.0° |
| O3 | C18 | H17 | 108.9° | 109.4° |
| O3 | C18 | H18 | 109.0° | 109.5° |
| O1 | C8 | C9 | 107.2° | 109.4° |
| O1 | C8 | H7 | 110.0° | 109.5° |
| O1 | C8 | H8 | 110.0° | 109.5° |
| N7 | C13 | C12 | 117.6° | 118.4° |
| C13 | N7 | C14 | 118.8° | 121.2° |
| C13 | C12 | N5 | 131.8° | 134.4° |
| C13 | C12 | C15 | 117.1° | 118.2° |
| N7 | C14 | N8 | 128.9° | 122.5° |
| N7 | C14 | H10 | 115.6° | 118.8° |
| C12 | N5 | C11 | 104.3° | 109.4° |
| N5 | C12 | C15 | 111.1° | 107.4° |
| N5 | C11 | C10 | 122.1° | 125.2° |
| N5 | C11 | N9 | 113.0° | 109.6° |
| C12 | C15 | N9 | 105.8° | 106.2° |
| C12 | C15 | N8 | 126.6° | 119.1° |
| C8 | C9 | C10 | 176.8° | 179.9° |
| C9 | C8 | H7 | 110.0° | 109.5° |
| C9 | C8 | H8 | 110.1° | 109.5° |
| C9 | C10 | C11 | 175.6° | 179.9° |
| C10 | C11 | N9 | 124.9° | 125.1° |
| C11 | N9 | C15 | 105.9° | 107.3° |
| C11 | N9 | C16 | 131.6° | 126.4° |
| C14 | N8 | C15 | 111.0° | 120.7° |
| N8 | C14 | H10 | 115.6° | 118.7° |
| C18 | C17 | O2 | 109.5° | 110.0° |
| C18 | C17 | C19 | 114.6° | 109.9° |
| C18 | C17 | H16 | 108.8° | 109.8° |
| C17 | C18 | H17 | 109.0° | 109.5° |
| C17 | C18 | H18 | 108.9° | 109.5° |
| N9 | C15 | N8 | 127.6° | 134.7° |
| C15 | N9 | C16 | 122.5° | 126.3° |
| C17 | O2 | C16 | 108.9° | 107.0° |
| O2 | C17 | C19 | 105.8° | 107.3° |
| O2 | C17 | H16 | 109.6° | 109.9° |
| O2 | C16 | N9 | 108.4° | 110.7° |
| O2 | C16 | C20 | 104.6° | 103.5° |
| O2 | C16 | H15 | 109.2° | 110.6° |
| N9 | C16 | C20 | 118.1° | 110.6° |
| N9 | C16 | H15 | 108.6° | 110.6° |
| C17 | C19 | C20 | 101.0° | 104.2° |
| C17 | C19 | O4 | 110.4° | 110.5° |
| C19 | C17 | H16 | 108.5° | 109.9° |
| C17 | C19 | H19 | 111.0° | 110.5° |
| C16 | C20 | C19 | 99.3° | 102.1° |
| C16 | C20 | O5 | 112.5° | 110.9° |
| C20 | C16 | H15 | 107.7° | 110.6° |
| C16 | C20 | H20 | 112.2° | 110.9° |
| C19 | C20 | O5 | 106.2° | 110.9° |
| C20 | C19 | O4 | 110.2° | 110.5° |
| C20 | C19 | H19 | 111.0° | 110.6° |
| C19 | C20 | H20 | 112.2° | 110.9° |
| C20 | O5 | P | 124.6° | 123.0° |
| O5 | C20 | H20 | 113.5° | 110.8° |
| C19 | O4 | H3 | 109.5° | 114.1° |
| O4 | C19 | H19 | 112.6° | 110.4° |
| O5 | P | O6 | 107.2° | 109.5° |
| O5 | P | O8 | 105.1° | 109.5° |
| O5 | P | O7 | 105.1° | 109.5° |
| O6 | P | O8 | 112.8° | 109.4° |
| O6 | P | O7 | 112.8° | 109.5° |
| O8 | P | O7 | 113.0° | 109.5° |
| P | O8 | H11 | 109.5° | 114.0° |
| P | O7 | H9 | 109.5° | 114.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H12 | N | H13 | 109.5° | 120.0° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H24 | N6 | H25 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C4 | N4 | 0.9° | 0.3° |
| N | C | C4 | N1 | 178.8° | 180.0° |
| N | C | C4 | C2 | 178.1° | 180.0° |
| N | C | N1 | C1 | 178.6° | 180.0° |
| C | N | H12 | H13 | 120.0° | 179.9° |
| N4 | C4 | C | C2 | 179.0° | 179.7° |
| N4 | C4 | C | N1 | 179.7° | 179.7° |
| C4 | N4 | C3 | N3 | 0.3° | 0.0° |
| N4 | C4 | C2 | N3 | 0.6° | 0.0° |
| N4 | C4 | C2 | N2 | 180.0° | 180.0° |
| C4 | N4 | C3 | H23 | 179.7° | 180.0° |
| C3 | N4 | C4 | C | 178.9° | 179.7° |
| C3 | N4 | C4 | C2 | 0.2° | 0.0° |
| N4 | C3 | N3 | H23 | 180.0° | 180.0° |
| N4 | C3 | N3 | C2 | 0.7° | 0.0° |
| N4 | C3 | N3 | C5 | 175.8° | 180.0° |
| C4 | C | N1 | C1 | 0.3° | 0.0° |
| C | C4 | C2 | N3 | 178.7° | 179.7° |
| C | C4 | C2 | N2 | 0.7° | 0.2° |
| C4 | C | N | H12 | 178.8° | 0.1° |
| C4 | C | N | H13 | 61.2° | 180.0° |
| N1 | C | C4 | C2 | 0.7° | 0.0° |
| C | N1 | C1 | N2 | 0.1° | 0.3° |
| N1 | C | N | H12 | 0.0° | 179.9° |
| N1 | C | N | H13 | 120.0° | 0.0° |
| C | N1 | C1 | H14 | 179.9° | 180.0° |
| C4 | C2 | N3 | C3 | 0.7° | 0.0° |
| C4 | C2 | N3 | N2 | 179.4° | 180.0° |
| C4 | C2 | N3 | C5 | 175.8° | 179.9° |
| C4 | C2 | N2 | C1 | 0.3° | 0.5° |
| C3 | N3 | C5 | C22 | 65.9° | 92.0° |
| C3 | N3 | C2 | C5 | 176.5° | 180.0° |
| C3 | N3 | C2 | N2 | 179.9° | 180.0° |
| C3 | N3 | C5 | O | 54.1° | 23.5° |
| C3 | N3 | C5 | H2 | 173.6° | 145.8° |
| O10 | C22 | C21 | C5 | 119.2° | 118.7° |
| O10 | C22 | C21 | H22 | 123.8° | 122.6° |
| O10 | C22 | C5 | H22 | 123.4° | 122.7° |
| O10 | C22 | C21 | O9 | 21.0° | 0.0° |
| O10 | C22 | C21 | C6 | 97.8° | 118.7° |
| O10 | C22 | C5 | N3 | 118.6° | 98.5° |
| O10 | C22 | C5 | O | 120.6° | 142.6° |
| O10 | C22 | C5 | H2 | 2.5° | 23.8° |
| O10 | C22 | C21 | H21 | 145.2° | 122.7° |
| C21 | C22 | C5 | H22 | 117.0° | 118.6° |
| C22 | C21 | O9 | C6 | 113.9° | 114.7° |
| C22 | C21 | O9 | H21 | 123.3° | 122.7° |
| C22 | C21 | C6 | H21 | 116.8° | 118.6° |
| C21 | C22 | C5 | N3 | 121.7° | 142.9° |
| C21 | C22 | C5 | O | 0.9° | 24.0° |
| C22 | C21 | C6 | O | 36.6° | 24.0° |
| C22 | C21 | C6 | C7 | 157.5° | 142.8° |
| C21 | C22 | C5 | H2 | 117.2° | 94.9° |
| C22 | C21 | C6 | H4 | 80.0° | 94.9° |
| C21 | C22 | O10 | H26 | 180.0° | 61.4° |
| C22 | C21 | O9 | H27 | 180.0° | 65.3° |
| C5 | C22 | C21 | O9 | 140.2° | 118.7° |
| C5 | C22 | C21 | C6 | 21.5° | 0.0° |
| C22 | C5 | N3 | C2 | 109.9° | 88.1° |
| C22 | C5 | N3 | O | 120.0° | 115.5° |
| C22 | C5 | N3 | H2 | 120.6° | 122.3° |
| C22 | C5 | O | H2 | 117.0° | 118.8° |
| C22 | C5 | O | C6 | 24.7° | 40.5° |
| C5 | C22 | C21 | H21 | 95.5° | 118.6° |
| C5 | C22 | O10 | H26 | 65.3° | 176.1° |
| N1 | C1 | N2 | C2 | 0.1° | 0.5° |
| N1 | C1 | N2 | H14 | 180.0° | 179.8° |
| O9 | C21 | C6 | H21 | 123.6° | 122.6° |
| O9 | C21 | C6 | O | 156.2° | 142.8° |
| O9 | C21 | C6 | C7 | 82.9° | 98.4° |
| O9 | C21 | C6 | H4 | 39.6° | 23.9° |
| O9 | C21 | C22 | H22 | 102.9° | 122.6° |
| C21 | C6 | O | C5 | 38.8° | 40.5° |
| C21 | C6 | O | C7 | 124.6° | 118.8° |
| C21 | C6 | O | H4 | 115.8° | 118.9° |
| C21 | C6 | C7 | H4 | 122.5° | 122.4° |
| C21 | C6 | C7 | O1 | 178.9° | 178.1° |
| C21 | C6 | C7 | H5 | 58.9° | 58.2° |
| C21 | C6 | C7 | H6 | 61.1° | 61.8° |
| C6 | C21 | C22 | H22 | 138.4° | 118.7° |
| C6 | C21 | O9 | H27 | 66.1° | 180.0° |
| N3 | C2 | N2 | C1 | 179.0° | 179.5° |
| C2 | N3 | C5 | O | 130.1° | 156.5° |
| C2 | N3 | C5 | H2 | 10.6° | 34.2° |
| C2 | N3 | C3 | H23 | 179.3° | 180.0° |
| N2 | C2 | N3 | C5 | 3.6° | 0.0° |
| C2 | N2 | C1 | H14 | 179.9° | 179.8° |
| N3 | C5 | O | H2 | 119.1° | 122.2° |
| N3 | C5 | O | C6 | 148.7° | 159.5° |
| N3 | C5 | C22 | H22 | 4.7° | 24.2° |
| C5 | N3 | C3 | H23 | 4.2° | 0.0° |
| C5 | O | C6 | C7 | 163.5° | 159.3° |
| C5 | O | C6 | H4 | 77.0° | 78.4° |
| O | C5 | C22 | H22 | 116.1° | 94.7° |
| O | C6 | C7 | H4 | 120.1° | 122.3° |
| O | C6 | C7 | O1 | 63.7° | 66.5° |
| C6 | O | C5 | H2 | 92.3° | 78.3° |
| O | C6 | C7 | H5 | 176.3° | 173.6° |
| O | C6 | C7 | H6 | 56.3° | 53.5° |
| O | C6 | C21 | H21 | 80.2° | 94.7° |
| C6 | C7 | O1 | H5 | 120.0° | 119.9° |
| C6 | C7 | O1 | H6 | 120.0° | 120.0° |
| C6 | C7 | O1 | C8 | 96.1° | 180.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C21 | H21 | 40.6° | 24.2° |
| C7 | O1 | C8 | C9 | 84.0° | 180.0° |
| O1 | C7 | C6 | H4 | 56.4° | 55.8° |
| O1 | C7 | H5 | H6 | 120.0° | 120.0° |
| C7 | O1 | C8 | H7 | 35.6° | 60.0° |
| C7 | O1 | C8 | H8 | 156.3° | 60.0° |
| N6 | C13 | N7 | C12 | 179.9° | 179.9° |
| N6 | C13 | N7 | C14 | 179.2° | 180.0° |
| N6 | C13 | C12 | N5 | 3.0° | 0.0° |
| N6 | C13 | C12 | C15 | 179.4° | 180.0° |
| C13 | N6 | H24 | H25 | 120.0° | 179.9° |
| O3 | C18 | C17 | H17 | 120.3° | 119.9° |
| O3 | C18 | C17 | H18 | 120.3° | 120.1° |
| O3 | C18 | C17 | O2 | 62.9° | 67.0° |
| O3 | C18 | C17 | C19 | 178.5° | 175.0° |
| O3 | C18 | C17 | H16 | 56.8° | 54.0° |
| O3 | C18 | H17 | H18 | 119.1° | 120.0° |
| O1 | C8 | C9 | H7 | 119.7° | 120.0° |
| O1 | C8 | C9 | H8 | 119.6° | 120.0° |
| O1 | C8 | C9 | C10 | 3.5° | 134.9° |
| C8 | O1 | C7 | H5 | 23.9° | 60.1° |
| C8 | O1 | C7 | H6 | 143.9° | 60.0° |
| O1 | C8 | H7 | H8 | 121.0° | 120.0° |
| N7 | C13 | C12 | N5 | 177.0° | 180.0° |
| N7 | C13 | C12 | C15 | 0.5° | 0.0° |
| C13 | N7 | C14 | N8 | 0.3° | 0.0° |
| C13 | N7 | C14 | H10 | 179.8° | 180.0° |
| N7 | C13 | N6 | H24 | 0.0° | 0.0° |
| N7 | C13 | N6 | H25 | 120.0° | 180.0° |
| C12 | C13 | N7 | C14 | 0.8° | 0.0° |
| C13 | C12 | N5 | C15 | 177.6° | 180.0° |
| C13 | C12 | N5 | C11 | 177.0° | 179.9° |
| C13 | C12 | C15 | N9 | 177.8° | 180.0° |
| C13 | C12 | C15 | N8 | 0.3° | 0.1° |
| C12 | C13 | N6 | H24 | 180.0° | 180.0° |
| C12 | C13 | N6 | H25 | 60.1° | 0.1° |
| N7 | C14 | N8 | H10 | 180.0° | 180.0° |
| N7 | C14 | N8 | C15 | 0.5° | 0.1° |
| C12 | N5 | C11 | C10 | 175.9° | 180.0° |
| C12 | N5 | C11 | N9 | 0.8° | 0.2° |
| N5 | C12 | C15 | N9 | 0.3° | 0.0° |
| N5 | C12 | C15 | N8 | 178.3° | 180.0° |
| C11 | N5 | C12 | C15 | 0.6° | 0.2° |
| N5 | C11 | C10 | C9 | 135.8° | 60.2° |
| N5 | C11 | C10 | N9 | 176.2° | 179.8° |
| N5 | C11 | N9 | C15 | 0.7° | 0.2° |
| N5 | C11 | N9 | C16 | 180.0° | 179.8° |
| C12 | C15 | N9 | C11 | 0.2° | 0.1° |
| C12 | C15 | N8 | C14 | 0.8° | 0.1° |
| C12 | C15 | N9 | N8 | 178.1° | 179.9° |
| C12 | C15 | N9 | C16 | 179.6° | 179.9° |
| C8 | C9 | C10 | C11 | 31.2° | 165.6° |
| C9 | C8 | H7 | H8 | 121.1° | 120.0° |
| C9 | C10 | C11 | N9 | 40.5° | 119.6° |
| C10 | C9 | C8 | H7 | 116.2° | 105.1° |
| C10 | C9 | C8 | H8 | 123.1° | 14.9° |
| C10 | C11 | N9 | C15 | 175.9° | 180.0° |
| C10 | C11 | N9 | C16 | 3.5° | 0.0° |
| C11 | N9 | C15 | C16 | 179.4° | 180.0° |
| C11 | N9 | C15 | N8 | 177.8° | 179.8° |
| C11 | N9 | C16 | O2 | 75.6° | 39.1° |
| C11 | N9 | C16 | C20 | 42.9° | 75.0° |
| C11 | N9 | C16 | H15 | 165.8° | 162.1° |
| C14 | N8 | C15 | N9 | 176.9° | 180.0° |
| C18 | C17 | O2 | C19 | 123.9° | 119.5° |
| C18 | C17 | O2 | H16 | 119.3° | 121.0° |
| C18 | C17 | O2 | C16 | 121.9° | 146.0° |
| C18 | C17 | C19 | H16 | 121.8° | 121.0° |
| C18 | C17 | C19 | C20 | 92.1° | 121.6° |
| C18 | C17 | C19 | O4 | 151.2° | 119.7° |
| C17 | C18 | O3 | H1 | 180.0° | 180.0° |
| C17 | C18 | H17 | H18 | 119.1° | 120.0° |
| C18 | C17 | C19 | H19 | 25.6° | 2.8° |
| C15 | N9 | C16 | O2 | 103.6° | 140.9° |
| C15 | N9 | C16 | C20 | 137.8° | 105.0° |
| C15 | N9 | C16 | H15 | 14.9° | 17.9° |
| N8 | C15 | N9 | C16 | 1.6° | 0.2° |
| C15 | N8 | C14 | H10 | 179.5° | 180.0° |
| C17 | O2 | C16 | N9 | 152.4° | 158.6° |
| O2 | C17 | C19 | H16 | 117.6° | 119.5° |
| C17 | O2 | C16 | C20 | 25.7° | 40.1° |
| O2 | C17 | C19 | C20 | 28.5° | 2.1° |
| O2 | C17 | C19 | O4 | 88.1° | 120.7° |
| C17 | O2 | C16 | H15 | 89.4° | 78.4° |
| O2 | C17 | C18 | H17 | 57.3° | 52.9° |
| O2 | C17 | C18 | H18 | 176.8° | 172.9° |
| O2 | C17 | C19 | H19 | 146.3° | 116.8° |
| O2 | C16 | N9 | C20 | 118.6° | 114.1° |
| O2 | C16 | N9 | H15 | 118.5° | 123.0° |
| C16 | O2 | C17 | C19 | 2.0° | 26.5° |
| O2 | C16 | C20 | H15 | 116.0° | 118.5° |
| O2 | C16 | C20 | C19 | 42.5° | 37.0° |
| O2 | C16 | C20 | O5 | 154.4° | 155.2° |
| C16 | O2 | C17 | H16 | 118.9° | 92.9° |
| O2 | C16 | C20 | H20 | 76.2° | 81.2° |
| N9 | C16 | C20 | H15 | 123.4° | 122.9° |
| N9 | C16 | C20 | C19 | 163.1° | 155.6° |
| N9 | C16 | C20 | O5 | 85.0° | 86.1° |
| N9 | C16 | C20 | H20 | 44.4° | 37.5° |
| C17 | C19 | C20 | C16 | 42.0° | 20.9° |
| C17 | C19 | C20 | O4 | 116.8° | 118.6° |
| C17 | C19 | C20 | H19 | 117.7° | 118.8° |
| C17 | C19 | C20 | O5 | 158.8° | 139.1° |
| C17 | C19 | O4 | H19 | 124.7° | 122.5° |
| C17 | C19 | O4 | H3 | 180.0° | 61.5° |
| C19 | C17 | C18 | H17 | 61.3° | 65.0° |
| C19 | C17 | C18 | H18 | 58.2° | 54.9° |
| C17 | C19 | C20 | H20 | 76.7° | 97.3° |
| C16 | C20 | C19 | O5 | 116.8° | 118.2° |
| C16 | C20 | C19 | H20 | 118.7° | 118.2° |
| C16 | C20 | O5 | H20 | 128.7° | 123.7° |
| C16 | C20 | C19 | O4 | 74.8° | 97.8° |
| C16 | C20 | O5 | P | 170.1° | 120.0° |
| C16 | C20 | C19 | H19 | 159.7° | 139.6° |
| C19 | C20 | O5 | H20 | 123.7° | 123.6° |
| C20 | C19 | O4 | H19 | 124.6° | 122.7° |
| C19 | C20 | O5 | P | 82.3° | 127.3° |
| C20 | C19 | O4 | H3 | 69.3° | 176.2° |
| C19 | C20 | C16 | H15 | 73.5° | 81.5° |
| C20 | C19 | C17 | H16 | 146.1° | 117.4° |
| O5 | C20 | C19 | O4 | 42.1° | 20.4° |
| C20 | O5 | P | O6 | 33.9° | 55.0° |
| C20 | O5 | P | O8 | 86.4° | 175.0° |
| C20 | O5 | P | O7 | 154.2° | 65.0° |
| O5 | C20 | C16 | H15 | 38.4° | 36.7° |
| O5 | C20 | C19 | H19 | 83.4° | 102.2° |
| O4 | C19 | C17 | H16 | 29.5° | 1.2° |
| O4 | C19 | C20 | H20 | 166.5° | 144.0° |
| O5 | P | O6 | O8 | 115.2° | 120.0° |
| O5 | P | O6 | O7 | 115.2° | 120.1° |
| O5 | P | O8 | O7 | 114.1° | 120.1° |
| O5 | P | O7 | H9 | 116.5° | 60.0° |
| O5 | P | O8 | H11 | 116.5° | 180.0° |
| P | O5 | C20 | H20 | 41.4° | 3.6° |
| O6 | P | O8 | O7 | 129.4° | 120.0° |
| O6 | P | O7 | H9 | 0.0° | 180.0° |
| O6 | P | O8 | H11 | 0.0° | 60.0° |
| O8 | P | O7 | H9 | 129.4° | 60.1° |
| O7 | P | O8 | H11 | 129.5° | 59.9° |
| H1 | O3 | C18 | H17 | 59.7° | 60.1° |
| H1 | O3 | C18 | H18 | 59.7° | 59.9° |
| H2 | C5 | C22 | H22 | 125.9° | 146.5° |
| H3 | O4 | C19 | H19 | 55.3° | 61.1° |
| H4 | C6 | C7 | H5 | 63.6° | 64.2° |
| H4 | C6 | C7 | H6 | 176.4° | 175.8° |
| H4 | C6 | C21 | H21 | 163.2° | 146.5° |
| H15 | C16 | C20 | H20 | 167.8° | 160.4° |
| H16 | C17 | C18 | H17 | 177.1° | 174.0° |
| H16 | C17 | C18 | H18 | 63.4° | 66.1° |
| H16 | C17 | C19 | H19 | 96.1° | 123.8° |
| H19 | C19 | C20 | H20 | 41.0° | 21.4° |
| H21 | C21 | C22 | H22 | 21.4° | 0.1° |
| H21 | C21 | O9 | H27 | 56.7° | 57.4° |
| H22 | C22 | O10 | H26 | 57.1° | 61.1° |
