K28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C21 | sing | 1.38Å | 1.34Å | |
| N7 | C20 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C19 | doub | 1.30Å | 1.31Å | Aromatic |
| C21 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C21 | N9 | sing | 1.33Å | 1.35Å | Aromatic |
| C20 | C23 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| O8 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.55Å | 1.54Å | |
| C17 | C16 | sing | 1.55Å | 1.54Å | |
| N9 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| O9 | C18 | sing | 1.43Å | 1.42Å | |
| C23 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | C16 | sing | 1.47Å | 1.46Å | |
| C18 | C15 | sing | 1.54Å | 1.52Å | |
| C22 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | O7 | sing | 1.44Å | 1.42Å | |
| C15 | O7 | sing | 1.44Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N | sing | 1.47Å | 1.46Å | |
| N2 | C6 | sing | 1.38Å | 1.34Å | |
| C6 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N | C | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N3 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| N1 | C4 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | O1 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.43Å | 1.42Å | |
| C4 | N5 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C2 | trip | 1.17Å | 1.20Å | |
| C8 | N4 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | N5 | sing | 1.37Å | 1.39Å | Aromatic |
| O | C10 | sing | 1.44Å | 1.45Å | |
| O | C9 | sing | 1.44Å | 1.41Å | |
| N5 | C9 | sing | 1.47Å | 1.46Å | |
| C10 | C12 | sing | 1.54Å | 1.53Å | |
| C9 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C13 | O3 | sing | 1.43Å | 1.45Å | |
| C12 | O2 | sing | 1.43Å | 1.42Å | |
| O3 | P | sing | 1.61Å | 1.63Å | |
| O6 | P | doub | 1.48Å | 1.52Å | |
| P | O4 | sing | 1.61Å | 1.51Å | |
| P | O5 | sing | 1.61Å | 1.51Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| O1 | H29 | sing | 0.97Å | 0.95Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å | |
| O9 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C21 | C20 | 123.9° | 120.8° |
| N8 | C21 | N9 | 118.5° | 120.8° |
| C21 | N8 | H27 | 109.5° | 120.1° |
| C21 | N8 | H28 | 109.4° | 120.0° |
| C20 | N7 | C19 | 103.7° | 109.4° |
| N7 | C20 | C21 | 132.4° | 134.7° |
| N7 | C20 | C23 | 110.3° | 107.2° |
| N7 | C19 | N6 | 114.2° | 109.9° |
| N7 | C19 | H25 | 122.9° | 125.0° |
| C20 | C21 | N9 | 117.6° | 118.5° |
| C21 | C20 | C23 | 117.2° | 118.2° |
| C21 | N9 | C22 | 118.8° | 121.2° |
| C20 | C23 | N6 | 106.3° | 106.0° |
| C20 | C23 | N10 | 126.4° | 119.0° |
| C19 | N6 | C23 | 105.5° | 107.5° |
| C19 | N6 | C16 | 127.3° | 126.2° |
| N6 | C19 | H25 | 122.9° | 125.1° |
| O8 | C17 | C18 | 112.1° | 110.5° |
| O8 | C17 | C16 | 110.1° | 110.5° |
| C17 | O8 | H14 | 109.5° | 114.0° |
| O8 | C17 | H23 | 111.5° | 110.5° |
| C18 | C17 | C16 | 103.2° | 104.1° |
| C17 | C18 | O9 | 111.5° | 110.5° |
| C17 | C18 | C15 | 102.5° | 104.1° |
| C18 | C17 | H23 | 109.8° | 110.5° |
| C17 | C18 | H24 | 110.0° | 110.5° |
| C17 | C16 | N6 | 114.3° | 110.5° |
| C17 | C16 | O7 | 107.8° | 104.8° |
| C17 | C16 | H22 | 107.8° | 110.4° |
| C16 | C17 | H23 | 109.8° | 110.6° |
| N9 | C22 | N10 | 128.8° | 122.4° |
| N9 | C22 | H26 | 115.6° | 118.7° |
| O9 | C18 | C15 | 110.7° | 110.5° |
| O9 | C18 | H24 | 111.6° | 110.6° |
| C18 | O9 | H31 | 109.5° | 114.0° |
| N6 | C23 | N10 | 127.3° | 135.0° |
| C23 | N6 | C16 | 127.2° | 126.2° |
| C23 | N10 | C22 | 111.1° | 120.7° |
| N6 | C16 | O7 | 108.6° | 110.4° |
| N6 | C16 | H22 | 108.8° | 110.3° |
| C18 | C15 | O7 | 103.9° | 104.8° |
| C18 | C15 | C14 | 111.6° | 110.4° |
| C18 | C15 | H15 | 110.0° | 110.5° |
| C15 | C18 | H24 | 110.2° | 110.5° |
| N10 | C22 | H26 | 115.6° | 118.8° |
| C16 | O7 | C15 | 108.3° | 105.3° |
| O7 | C16 | H22 | 109.4° | 110.4° |
| O7 | C15 | C14 | 109.9° | 110.4° |
| O7 | C15 | H15 | 111.2° | 110.3° |
| C15 | C14 | N | 114.0° | 109.5° |
| C15 | C14 | H12 | 108.3° | 109.5° |
| C15 | C14 | H13 | 108.3° | 109.4° |
| C14 | C15 | H15 | 110.1° | 110.3° |
| C14 | N | C | 111.6° | 111.0° |
| C14 | N | C1 | 114.7° | 111.0° |
| N | C14 | H12 | 108.3° | 109.5° |
| N | C14 | H13 | 108.3° | 109.4° |
| N2 | C6 | N3 | 118.6° | 120.8° |
| N2 | C6 | C5 | 123.7° | 120.8° |
| C6 | N2 | H3 | 109.5° | 120.0° |
| C6 | N2 | H4 | 109.5° | 120.0° |
| N3 | C6 | C5 | 117.7° | 118.4° |
| C6 | N3 | C7 | 118.8° | 121.2° |
| C6 | C5 | N1 | 131.8° | 134.5° |
| C6 | C5 | C8 | 116.5° | 118.1° |
| C | N | C1 | 110.9° | 110.9° |
| N | C | H17 | 109.5° | 109.4° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.5° | 109.5° |
| N | C1 | C2 | 114.4° | 109.5° |
| N | C1 | H20 | 108.2° | 109.5° |
| N | C1 | H21 | 108.2° | 109.5° |
| N3 | C7 | N4 | 128.9° | 122.5° |
| N3 | C7 | H2 | 115.6° | 118.7° |
| C5 | N1 | C4 | 104.0° | 109.5° |
| N1 | C5 | C8 | 111.6° | 107.4° |
| N1 | C4 | C3 | 124.0° | 125.2° |
| N1 | C4 | N5 | 113.2° | 109.5° |
| C5 | C8 | N4 | 127.0° | 119.1° |
| C5 | C8 | N5 | 105.4° | 106.2° |
| C7 | N4 | C8 | 111.0° | 120.7° |
| N4 | C7 | H2 | 115.6° | 118.8° |
| O1 | C11 | C10 | 111.9° | 109.5° |
| O1 | C11 | H8 | 108.8° | 109.4° |
| O1 | C11 | H9 | 108.9° | 109.5° |
| C11 | O1 | H29 | 109.5° | 114.0° |
| C11 | C10 | O | 109.6° | 110.0° |
| C11 | C10 | C12 | 114.9° | 109.9° |
| C11 | C10 | H7 | 108.5° | 109.9° |
| C10 | C11 | H8 | 108.9° | 109.5° |
| C10 | C11 | H9 | 108.8° | 109.5° |
| C1 | C2 | C3 | 174.9° | 180.0° |
| C2 | C1 | H20 | 108.2° | 109.5° |
| C2 | C1 | H21 | 108.2° | 109.5° |
| C3 | C4 | N5 | 122.8° | 125.2° |
| C4 | C3 | C2 | 177.0° | 180.0° |
| C4 | N5 | C8 | 105.8° | 107.4° |
| C4 | N5 | C9 | 129.1° | 126.3° |
| N4 | C8 | N5 | 127.5° | 134.7° |
| C8 | N5 | C9 | 125.0° | 126.3° |
| C10 | O | C9 | 109.7° | 107.0° |
| O | C10 | C12 | 106.1° | 107.3° |
| O | C10 | H7 | 109.3° | 109.8° |
| O | C9 | N5 | 108.3° | 110.8° |
| O | C9 | C13 | 105.5° | 103.5° |
| O | C9 | H5 | 109.6° | 110.6° |
| N5 | C9 | C13 | 116.3° | 110.7° |
| N5 | C9 | H5 | 109.0° | 110.5° |
| C10 | C12 | C13 | 103.2° | 104.2° |
| C10 | C12 | O2 | 110.0° | 110.5° |
| C12 | C10 | H7 | 108.3° | 109.9° |
| C10 | C12 | H10 | 110.2° | 110.4° |
| C9 | C13 | C12 | 100.8° | 102.1° |
| C9 | C13 | O3 | 112.1° | 110.9° |
| C13 | C9 | H5 | 108.1° | 110.6° |
| C9 | C13 | H11 | 111.6° | 110.8° |
| C12 | C13 | O3 | 107.3° | 110.9° |
| C13 | C12 | O2 | 111.1° | 110.5° |
| C13 | C12 | H10 | 110.3° | 110.6° |
| C12 | C13 | H11 | 111.6° | 110.9° |
| C13 | O3 | P | 124.3° | 123.0° |
| O3 | C13 | H11 | 112.8° | 110.9° |
| O2 | C12 | H10 | 111.8° | 110.4° |
| C12 | O2 | H30 | 109.5° | 114.0° |
| O3 | P | O6 | 106.3° | 109.5° |
| O3 | P | O4 | 105.1° | 109.4° |
| O3 | P | O5 | 106.1° | 109.4° |
| O6 | P | O4 | 112.9° | 109.5° |
| O6 | P | O5 | 112.8° | 109.5° |
| O4 | P | O5 | 113.0° | 109.5° |
| P | O4 | H1 | 109.5° | 114.1° |
| P | O5 | H6 | 109.5° | 113.9° |
| H3 | N2 | H4 | 109.4° | 120.0° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.4° |
| H17 | C | H19 | 109.5° | 109.4° |
| H18 | C | H19 | 109.4° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.4° |
| H27 | N8 | H28 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C21 | C20 | N7 | 0.1° | 0.6° |
| N8 | C21 | C20 | N9 | 179.5° | 180.0° |
| N8 | C21 | C20 | C23 | 179.5° | 180.0° |
| N8 | C21 | N9 | C22 | 179.5° | 180.0° |
| C21 | N8 | H27 | H28 | 120.0° | 179.9° |
| N7 | C20 | C21 | C23 | 179.6° | 179.4° |
| N7 | C20 | C21 | N9 | 179.6° | 179.4° |
| C20 | N7 | C19 | N6 | 0.1° | 0.0° |
| N7 | C20 | C23 | N6 | 0.2° | 0.4° |
| N7 | C20 | C23 | N10 | 179.8° | 179.6° |
| C20 | N7 | C19 | H25 | 180.0° | 179.7° |
| C19 | N7 | C20 | C21 | 179.5° | 179.7° |
| C19 | N7 | C20 | C23 | 0.1° | 0.3° |
| N7 | C19 | N6 | H25 | 180.0° | 179.7° |
| N7 | C19 | N6 | C23 | 0.2° | 0.3° |
| N7 | C19 | N6 | C16 | 178.9° | 179.7° |
| C20 | C21 | N9 | C22 | 0.0° | 0.0° |
| C21 | C20 | C23 | N6 | 179.5° | 179.9° |
| C21 | C20 | C23 | N10 | 0.1° | 0.1° |
| C20 | C21 | N8 | H27 | 179.5° | 0.0° |
| C20 | C21 | N8 | H28 | 60.5° | 179.9° |
| N9 | C21 | C20 | C23 | 0.0° | 0.0° |
| C21 | N9 | C22 | N10 | 0.0° | 0.0° |
| C21 | N9 | C22 | H26 | 179.9° | 179.9° |
| N9 | C21 | N8 | H27 | 0.0° | 180.0° |
| N9 | C21 | N8 | H28 | 120.0° | 0.1° |
| C20 | C23 | N6 | C19 | 0.2° | 0.4° |
| C20 | C23 | N6 | N10 | 179.6° | 180.0° |
| C20 | C23 | N6 | C16 | 178.8° | 179.6° |
| C20 | C23 | N10 | C22 | 0.2° | 0.0° |
| C19 | N6 | C16 | C17 | 56.2° | 91.9° |
| C19 | N6 | C23 | C16 | 179.0° | 180.0° |
| C19 | N6 | C23 | N10 | 179.8° | 179.6° |
| C19 | N6 | C16 | O7 | 64.2° | 23.6° |
| C19 | N6 | C16 | H22 | 176.8° | 145.8° |
| O8 | C17 | C18 | C16 | 118.5° | 118.6° |
| O8 | C17 | C18 | H23 | 124.5° | 122.6° |
| O8 | C17 | C16 | H23 | 123.1° | 122.7° |
| O8 | C17 | C18 | O9 | 26.3° | 0.1° |
| O8 | C17 | C16 | N6 | 125.7° | 98.5° |
| O8 | C17 | C18 | C15 | 92.2° | 118.6° |
| O8 | C17 | C16 | O7 | 113.5° | 142.6° |
| O8 | C17 | C16 | H22 | 4.5° | 23.8° |
| O8 | C17 | C18 | H24 | 150.7° | 122.8° |
| C18 | C17 | C16 | H23 | 117.0° | 118.7° |
| C17 | C18 | O9 | C15 | 113.4° | 114.7° |
| C17 | C18 | O9 | H24 | 123.5° | 122.7° |
| C18 | C17 | C16 | N6 | 114.5° | 142.9° |
| C17 | C18 | C15 | H24 | 117.0° | 118.6° |
| C18 | C17 | C16 | O7 | 6.3° | 24.0° |
| C17 | C18 | C15 | O7 | 37.6° | 24.0° |
| C17 | C18 | C15 | C14 | 155.9° | 142.8° |
| C18 | C17 | O8 | H14 | 180.0° | 61.5° |
| C17 | C18 | C15 | H15 | 81.6° | 94.9° |
| C18 | C17 | C16 | H22 | 124.4° | 94.9° |
| C17 | C18 | O9 | H31 | 180.0° | 61.4° |
| C16 | C17 | C18 | O9 | 144.8° | 118.7° |
| C17 | C16 | N6 | C23 | 122.6° | 88.2° |
| C17 | C16 | N6 | O7 | 120.4° | 115.4° |
| C17 | C16 | N6 | H22 | 120.6° | 122.3° |
| C16 | C17 | C18 | C15 | 26.3° | 0.0° |
| C17 | C16 | O7 | H22 | 117.0° | 118.8° |
| C17 | C16 | O7 | C15 | 17.9° | 40.5° |
| C16 | C17 | O8 | H14 | 65.7° | 176.1° |
| C16 | C17 | C18 | H24 | 90.9° | 118.6° |
| N9 | C22 | N10 | C23 | 0.1° | 0.0° |
| N9 | C22 | N10 | H26 | 180.0° | 179.9° |
| O9 | C18 | C15 | H24 | 124.0° | 122.7° |
| O9 | C18 | C15 | O7 | 156.6° | 142.7° |
| O9 | C18 | C15 | C14 | 85.0° | 98.5° |
| O9 | C18 | C15 | H15 | 37.4° | 23.8° |
| O9 | C18 | C17 | H23 | 98.3° | 122.6° |
| N6 | C23 | N10 | C22 | 179.4° | 180.0° |
| C23 | N6 | C16 | O7 | 117.0° | 156.4° |
| C23 | N6 | C16 | H22 | 2.0° | 34.1° |
| C23 | N6 | C19 | H25 | 179.9° | 180.0° |
| N10 | C23 | N6 | C16 | 0.8° | 0.4° |
| C23 | N10 | C22 | H26 | 179.9° | 179.9° |
| N6 | C16 | O7 | H22 | 118.7° | 122.2° |
| N6 | C16 | O7 | C15 | 142.2° | 159.4° |
| N6 | C16 | C17 | H23 | 2.5° | 24.2° |
| C16 | N6 | C19 | H25 | 1.1° | 0.0° |
| C18 | C15 | O7 | C16 | 35.1° | 40.5° |
| C18 | C15 | O7 | C14 | 119.6° | 118.9° |
| C18 | C15 | O7 | H15 | 118.3° | 119.0° |
| C18 | C15 | C14 | H15 | 122.5° | 122.4° |
| C18 | C15 | C14 | N | 174.7° | 175.6° |
| C18 | C15 | C14 | H12 | 54.0° | 64.3° |
| C18 | C15 | C14 | H13 | 64.7° | 55.7° |
| C15 | C18 | C17 | H23 | 143.3° | 118.7° |
| C15 | C18 | O9 | H31 | 66.6° | 176.1° |
| C16 | O7 | C15 | C14 | 154.6° | 159.4° |
| C16 | O7 | C15 | H15 | 83.2° | 78.5° |
| O7 | C16 | C17 | H23 | 123.4° | 94.7° |
| O7 | C15 | C14 | H15 | 122.8° | 122.2° |
| O7 | C15 | C14 | N | 70.6° | 60.2° |
| O7 | C15 | C14 | H12 | 168.7° | 179.7° |
| O7 | C15 | C14 | H13 | 50.1° | 59.7° |
| C15 | O7 | C16 | H22 | 99.1° | 78.3° |
| O7 | C15 | C18 | H24 | 79.5° | 94.6° |
| C15 | C14 | N | H12 | 120.7° | 120.1° |
| C15 | C14 | N | H13 | 120.7° | 120.0° |
| C15 | C14 | N | C | 157.0° | 164.1° |
| C15 | C14 | N | C1 | 75.9° | 72.0° |
| C15 | C14 | H12 | H13 | 118.0° | 119.9° |
| C14 | C15 | C18 | H24 | 38.9° | 24.2° |
| C14 | N | C | C1 | 129.2° | 123.9° |
| C14 | N | C1 | C2 | 83.2° | 170.0° |
| N | C14 | H12 | H13 | 117.9° | 120.0° |
| N | C14 | C15 | H15 | 52.2° | 62.0° |
| C14 | N | C | H17 | 180.0° | 54.5° |
| C14 | N | C | H18 | 60.0° | 174.5° |
| C14 | N | C | H19 | 60.0° | 65.5° |
| C14 | N | C1 | H20 | 37.6° | 50.0° |
| C14 | N | C1 | H21 | 156.1° | 69.9° |
| N2 | C6 | N3 | C5 | 179.2° | 179.9° |
| N2 | C6 | N3 | C7 | 179.3° | 180.0° |
| N2 | C6 | C5 | N1 | 2.1° | 0.0° |
| N2 | C6 | C5 | C8 | 179.3° | 179.9° |
| C6 | N2 | H3 | H4 | 120.0° | 179.9° |
| N3 | C6 | C5 | N1 | 177.1° | 179.9° |
| N3 | C6 | C5 | C8 | 0.2° | 0.0° |
| C6 | N3 | C7 | N4 | 0.3° | 0.1° |
| C6 | N3 | C7 | H2 | 179.7° | 180.0° |
| N3 | C6 | N2 | H3 | 0.0° | 0.1° |
| N3 | C6 | N2 | H4 | 120.0° | 180.0° |
| C5 | C6 | N3 | C7 | 0.1° | 0.1° |
| C6 | C5 | N1 | C8 | 177.4° | 179.9° |
| C6 | C5 | N1 | C4 | 176.7° | 179.9° |
| C6 | C5 | C8 | N4 | 0.1° | 0.0° |
| C6 | C5 | C8 | N5 | 177.7° | 180.0° |
| C5 | C6 | N2 | H3 | 179.1° | 180.0° |
| C5 | C6 | N2 | H4 | 59.2° | 0.1° |
| C | N | C1 | C2 | 149.3° | 66.0° |
| C | N | C14 | H12 | 82.4° | 75.9° |
| C | N | C14 | H13 | 36.3° | 44.1° |
| N | C | H17 | H18 | 120.0° | 120.0° |
| N | C | H17 | H19 | 120.0° | 120.0° |
| N | C | H18 | H19 | 120.0° | 120.1° |
| C | N | C1 | H20 | 90.0° | 173.9° |
| C | N | C1 | H21 | 28.6° | 54.0° |
| N | C1 | C2 | H20 | 120.7° | 120.0° |
| N | C1 | C2 | H21 | 120.8° | 120.0° |
| N | C1 | C2 | C3 | 63.1° | 133.2° |
| C1 | N | C14 | H12 | 44.8° | 48.0° |
| C1 | N | C14 | H13 | 163.4° | 168.0° |
| C1 | N | C | H17 | 50.8° | 178.4° |
| C1 | N | C | H18 | 69.2° | 61.6° |
| C1 | N | C | H19 | 170.9° | 58.5° |
| N | C1 | H20 | H21 | 117.8° | 120.0° |
| N3 | C7 | N4 | H2 | 180.0° | 179.9° |
| N3 | C7 | N4 | C8 | 0.5° | 0.1° |
| C5 | N1 | C4 | C3 | 175.9° | 179.9° |
| C5 | N1 | C4 | N5 | 0.9° | 0.2° |
| N1 | C5 | C8 | N4 | 177.9° | 179.9° |
| N1 | C5 | C8 | N5 | 0.1° | 0.0° |
| C4 | N1 | C5 | C8 | 0.6° | 0.1° |
| N1 | C4 | C3 | N5 | 176.4° | 179.7° |
| N1 | C4 | C3 | C2 | 20.3° | 55.5° |
| N1 | C4 | N5 | C8 | 0.8° | 0.2° |
| N1 | C4 | N5 | C9 | 179.0° | 179.8° |
| C5 | C8 | N4 | C7 | 0.4° | 0.0° |
| C5 | C8 | N5 | C4 | 0.4° | 0.1° |
| C5 | C8 | N4 | N5 | 177.3° | 179.9° |
| C5 | C8 | N5 | C9 | 178.6° | 179.9° |
| C7 | N4 | C8 | N5 | 176.9° | 180.0° |
| O1 | C11 | C10 | H8 | 120.3° | 119.9° |
| O1 | C11 | C10 | H9 | 120.4° | 120.0° |
| O1 | C11 | C10 | O | 85.6° | 67.1° |
| O1 | C11 | C10 | C12 | 33.8° | 175.0° |
| O1 | C11 | C10 | H7 | 155.1° | 54.0° |
| O1 | C11 | H8 | H9 | 118.9° | 120.0° |
| C11 | C10 | O | C12 | 124.7° | 119.5° |
| C11 | C10 | O | H7 | 118.8° | 121.1° |
| C11 | C10 | O | C9 | 127.2° | 146.0° |
| C11 | C10 | C12 | H7 | 121.4° | 121.1° |
| C11 | C10 | C12 | C13 | 100.1° | 121.6° |
| C11 | C10 | C12 | O2 | 141.3° | 119.7° |
| C10 | C11 | H8 | H9 | 118.9° | 120.0° |
| C11 | C10 | C12 | H10 | 17.6° | 2.7° |
| C10 | C11 | O1 | H29 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 32.5° | 171.6° |
| C2 | C1 | H20 | H21 | 117.7° | 120.0° |
| C3 | C4 | N5 | C8 | 175.9° | 180.0° |
| C3 | C4 | N5 | C9 | 2.2° | 0.1° |
| N5 | C4 | C3 | C2 | 156.1° | 124.8° |
| C4 | N5 | C8 | N4 | 177.4° | 179.8° |
| C4 | N5 | C8 | C9 | 178.2° | 180.0° |
| C4 | N5 | C9 | O | 80.9° | 39.2° |
| C4 | N5 | C9 | C13 | 37.6° | 75.0° |
| C4 | N5 | C9 | H5 | 160.0° | 162.2° |
| C3 | C2 | C1 | H20 | 57.6° | 106.8° |
| C3 | C2 | C1 | H21 | 176.1° | 13.2° |
| N4 | C8 | N5 | C9 | 0.9° | 0.2° |
| C8 | N4 | C7 | H2 | 179.4° | 180.0° |
| C8 | N5 | C9 | O | 96.9° | 140.8° |
| C8 | N5 | C9 | C13 | 144.6° | 105.0° |
| C8 | N5 | C9 | H5 | 22.2° | 17.8° |
| C10 | O | C9 | N5 | 150.6° | 158.6° |
| O | C10 | C12 | H7 | 117.3° | 119.4° |
| C10 | O | C9 | C13 | 25.5° | 40.0° |
| O | C10 | C12 | C13 | 21.2° | 2.0° |
| O | C10 | C12 | O2 | 97.4° | 120.7° |
| C10 | O | C9 | H5 | 90.6° | 78.4° |
| O | C10 | C11 | H8 | 154.1° | 172.9° |
| O | C10 | C11 | H9 | 34.8° | 52.9° |
| O | C10 | C12 | H10 | 138.9° | 116.8° |
| O | C9 | N5 | C13 | 118.5° | 114.2° |
| O | C9 | N5 | H5 | 119.1° | 123.0° |
| C9 | O | C10 | C12 | 2.5° | 26.5° |
| O | C9 | C13 | H5 | 117.1° | 118.5° |
| O | C9 | C13 | C12 | 37.5° | 37.0° |
| O | C9 | C13 | O3 | 151.3° | 155.2° |
| C9 | O | C10 | H7 | 114.0° | 92.9° |
| O | C9 | C13 | H11 | 81.0° | 81.2° |
| N5 | C9 | C13 | H5 | 122.9° | 122.8° |
| N5 | C9 | C13 | C12 | 157.5° | 155.7° |
| N5 | C9 | C13 | O3 | 88.7° | 86.1° |
| N5 | C9 | C13 | H11 | 38.9° | 37.5° |
| C10 | C12 | C13 | C9 | 34.9° | 20.9° |
| C10 | C12 | C13 | O2 | 117.8° | 118.7° |
| C10 | C12 | C13 | H10 | 117.7° | 118.7° |
| C10 | C12 | C13 | O3 | 152.3° | 139.1° |
| C10 | C12 | O2 | H10 | 122.7° | 122.5° |
| C12 | C10 | C11 | H8 | 86.6° | 55.0° |
| C12 | C10 | C11 | H9 | 154.1° | 65.0° |
| C10 | C12 | C13 | H11 | 83.7° | 97.3° |
| C10 | C12 | O2 | H30 | 180.0° | 61.4° |
| C9 | C13 | C12 | O3 | 117.4° | 118.2° |
| C9 | C13 | C12 | H11 | 118.6° | 118.1° |
| C9 | C13 | O3 | H11 | 127.0° | 123.6° |
| C9 | C13 | C12 | O2 | 83.0° | 97.8° |
| C9 | C13 | O3 | P | 172.2° | 120.0° |
| C9 | C13 | C12 | H10 | 152.5° | 139.6° |
| C12 | C13 | O3 | H11 | 123.3° | 123.7° |
| C13 | C12 | O2 | H10 | 123.7° | 122.7° |
| C12 | C13 | O3 | P | 78.0° | 127.3° |
| C12 | C13 | C9 | H5 | 79.6° | 81.5° |
| C13 | C12 | C10 | H7 | 138.5° | 117.4° |
| C13 | C12 | O2 | H30 | 66.4° | 176.2° |
| O3 | C13 | C12 | O2 | 34.5° | 20.4° |
| C13 | O3 | P | O6 | 36.7° | 55.0° |
| C13 | O3 | P | O4 | 83.2° | 65.0° |
| C13 | O3 | P | O5 | 156.9° | 175.0° |
| O3 | C13 | C9 | H5 | 34.2° | 36.7° |
| O3 | C13 | C12 | H10 | 90.1° | 102.2° |
| O2 | C12 | C10 | H7 | 19.9° | 1.4° |
| O2 | C12 | C13 | H11 | 158.5° | 144.0° |
| O3 | P | O6 | O4 | 114.7° | 120.0° |
| O3 | P | O6 | O5 | 115.8° | 119.9° |
| O3 | P | O4 | O5 | 115.2° | 119.9° |
| O3 | P | O4 | H1 | 115.4° | 60.0° |
| O3 | P | O5 | H6 | 115.9° | 179.9° |
| P | O3 | C13 | H11 | 45.3° | 3.6° |
| O6 | P | O4 | O5 | 129.4° | 120.0° |
| O6 | P | O4 | H1 | 0.0° | 180.0° |
| O6 | P | O5 | H6 | 0.0° | 60.1° |
| O4 | P | O5 | H6 | 129.5° | 60.0° |
| O5 | P | O4 | H1 | 129.4° | 59.9° |
| H5 | C9 | C13 | H11 | 161.8° | 160.3° |
| H7 | C10 | C11 | H8 | 34.7° | 66.0° |
| H7 | C10 | C11 | H9 | 84.6° | 174.0° |
| H7 | C10 | C12 | H10 | 103.8° | 123.8° |
| H8 | C11 | O1 | H29 | 59.6° | 60.0° |
| H9 | C11 | O1 | H29 | 59.7° | 60.0° |
| H10 | C12 | C13 | H11 | 34.0° | 21.4° |
| H10 | C12 | O2 | H30 | 57.3° | 61.0° |
| H12 | C14 | C15 | H15 | 68.4° | 58.1° |
| H13 | C14 | C15 | H15 | 172.9° | 178.1° |
| H14 | O8 | C17 | H23 | 56.4° | 61.1° |
| H15 | C15 | C18 | H24 | 161.4° | 146.5° |
| H17 | C | H18 | H19 | 120.0° | 119.9° |
| H22 | C16 | C17 | H23 | 118.6° | 146.4° |
| H23 | C17 | C18 | H24 | 26.1° | 0.1° |
| H24 | C18 | O9 | H31 | 56.5° | 61.3° |
