1O4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C14 | sing | 1.38Å | 1.34Å | |
| N3 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.38Å | Aromatic |
| N1 | C10 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C12 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | N | sing | 1.36Å | 1.37Å | Aromatic |
| N | C9 | sing | 1.47Å | 1.46Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C9 | O4 | sing | 1.44Å | 1.41Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| O4 | C6 | sing | 1.44Å | 1.45Å | |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C17 | N6 | sing | 1.39Å | 1.37Å | |
| C17 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C21 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| O3 | C5 | sing | 1.43Å | 1.44Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| C22 | C23 | doub | 1.36Å | 1.35Å | Aromatic |
| O2 | P1 | doub | 1.48Å | 1.48Å | |
| C15 | N5 | doub | 1.31Å | 1.34Å | Aromatic |
| P1 | O7 | sing | 1.61Å | 1.48Å | |
| P1 | O1 | sing | 1.61Å | 1.60Å | |
| C23 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C | sing | 1.47Å | 1.48Å | |
| O1 | P | sing | 1.61Å | 1.60Å | |
| C | C1 | sing | 1.54Å | 1.54Å | |
| C | O10 | sing | 1.45Å | 1.40Å | |
| C1 | O12 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| P | O9 | doub | 1.48Å | 1.48Å | |
| P | O | sing | 1.61Å | 1.60Å | |
| P | O8 | sing | 1.61Å | 1.48Å | |
| O10 | C3 | sing | 1.44Å | 1.44Å | |
| O | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | O11 | sing | 1.43Å | 1.42Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C14 | N3 | 118.3° | 120.8° |
| N4 | C14 | C11 | 124.3° | 120.7° |
| C14 | N4 | HN41 | 109.5° | 120.0° |
| C14 | N4 | HN42 | 109.5° | 120.0° |
| C14 | N3 | C13 | 119.1° | 121.2° |
| N3 | C14 | C11 | 117.4° | 118.5° |
| N3 | C13 | N2 | 128.7° | 122.5° |
| N3 | C13 | H13 | 115.7° | 118.7° |
| C14 | C11 | N1 | 132.6° | 134.7° |
| C14 | C11 | C12 | 116.7° | 118.1° |
| C13 | N2 | C12 | 111.1° | 120.6° |
| N2 | C13 | H13 | 115.6° | 118.8° |
| N1 | C11 | C12 | 110.6° | 107.1° |
| C11 | N1 | C10 | 103.6° | 109.5° |
| C11 | C12 | N2 | 127.0° | 119.1° |
| C11 | C12 | N | 106.0° | 106.0° |
| N1 | C10 | N | 114.0° | 109.9° |
| N1 | C10 | H10 | 123.0° | 125.1° |
| N2 | C12 | N | 127.0° | 134.9° |
| C12 | N | C10 | 105.7° | 107.5° |
| C12 | N | C9 | 123.8° | 126.3° |
| C10 | N | C9 | 130.3° | 126.2° |
| N | C10 | H10 | 123.0° | 125.0° |
| N | C9 | C8 | 116.9° | 110.6° |
| N | C9 | O4 | 109.6° | 110.6° |
| N | C9 | H7 | 108.5° | 110.5° |
| O5 | C8 | C9 | 111.7° | 111.0° |
| O5 | C8 | C7 | 113.4° | 110.9° |
| O5 | C8 | H6 | 111.8° | 110.8° |
| C8 | O5 | HO5 | 109.5° | 114.0° |
| C8 | C9 | O4 | 104.8° | 103.5° |
| C9 | C8 | C7 | 98.4° | 102.1° |
| C9 | C8 | H6 | 110.4° | 110.9° |
| C8 | C9 | H7 | 107.7° | 110.7° |
| C9 | O4 | C6 | 107.6° | 107.0° |
| O4 | C9 | H7 | 109.1° | 110.8° |
| C18 | C19 | C20 | 120.7° | 121.1° |
| C19 | C18 | C17 | 121.1° | 120.9° |
| C19 | C18 | H18 | 119.5° | 119.6° |
| C18 | C19 | H19 | 119.7° | 119.5° |
| C19 | C20 | C21 | 120.7° | 119.8° |
| C20 | C19 | H19 | 119.6° | 119.4° |
| C19 | C20 | H20 | 119.7° | 120.1° |
| C8 | C7 | O6 | 111.1° | 110.5° |
| C8 | C7 | C6 | 102.1° | 104.2° |
| C7 | C8 | H6 | 110.3° | 110.9° |
| C8 | C7 | H5 | 110.7° | 110.5° |
| C18 | C17 | N6 | 120.4° | 120.4° |
| C18 | C17 | C16 | 119.5° | 119.2° |
| C17 | C18 | H18 | 119.5° | 119.5° |
| O6 | C7 | C6 | 109.7° | 110.5° |
| O6 | C7 | H5 | 112.2° | 110.5° |
| C7 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C6 | C7 | 105.9° | 107.3° |
| O4 | C6 | C5 | 110.0° | 109.9° |
| O4 | C6 | H4 | 109.1° | 110.0° |
| C20 | C21 | C16 | 119.0° | 119.7° |
| C20 | C21 | C22 | 122.7° | 122.1° |
| C21 | C20 | H20 | 119.6° | 120.1° |
| C7 | C6 | C5 | 115.2° | 109.9° |
| C7 | C6 | H4 | 108.1° | 109.9° |
| C6 | C7 | H5 | 110.5° | 110.4° |
| N6 | C17 | C16 | 119.8° | 120.4° |
| C17 | N6 | HN62 | 109.5° | 120.0° |
| C17 | N6 | HN61 | 109.5° | 120.0° |
| C17 | C16 | C21 | 118.7° | 119.3° |
| C17 | C16 | C15 | 123.3° | 122.1° |
| C6 | C5 | O3 | 108.7° | 109.5° |
| C6 | C5 | H51 | 109.7° | 109.5° |
| C6 | C5 | H52 | 109.7° | 109.5° |
| C5 | C6 | H4 | 108.4° | 109.9° |
| C16 | C21 | C22 | 118.2° | 118.2° |
| C21 | C16 | C15 | 117.8° | 118.6° |
| C21 | C22 | C23 | 120.1° | 118.6° |
| C21 | C22 | H22 | 119.9° | 120.7° |
| C16 | C15 | N5 | 121.1° | 119.9° |
| C16 | C15 | H15 | 119.5° | 120.0° |
| C5 | O3 | P1 | 121.6° | 123.0° |
| O3 | C5 | H51 | 109.7° | 109.5° |
| O3 | C5 | H52 | 109.6° | 109.4° |
| O3 | P1 | O2 | 107.1° | 109.5° |
| O3 | P1 | O7 | 110.6° | 109.5° |
| O3 | P1 | O1 | 101.9° | 109.5° |
| C22 | C23 | N5 | 120.6° | 121.8° |
| C23 | C22 | H22 | 119.9° | 120.7° |
| C22 | C23 | H23 | 119.7° | 119.1° |
| O2 | P1 | O7 | 119.9° | 109.5° |
| O2 | P1 | O1 | 107.8° | 109.5° |
| C15 | N5 | C23 | 121.7° | 122.8° |
| C15 | N5 | C | 118.3° | 118.6° |
| N5 | C15 | H15 | 119.4° | 120.1° |
| O7 | P1 | O1 | 108.0° | 109.5° |
| P1 | O7 | H8 | 109.5° | 114.0° |
| P1 | O1 | P | 132.0° | 134.0° |
| C23 | N5 | C | 118.9° | 118.6° |
| N5 | C23 | H23 | 119.7° | 119.1° |
| N5 | C | C1 | 114.5° | 110.4° |
| N5 | C | O10 | 108.7° | 110.4° |
| N5 | C | H | 108.4° | 110.4° |
| O1 | P | O9 | 110.0° | 109.5° |
| O1 | P | O | 97.5° | 109.5° |
| O1 | P | O8 | 109.7° | 109.5° |
| C1 | C | O10 | 107.9° | 104.8° |
| C | C1 | O12 | 108.8° | 110.5° |
| C | C1 | C2 | 104.5° | 104.1° |
| C1 | C | H | 107.7° | 110.4° |
| C | C1 | H1 | 109.4° | 110.6° |
| C | O10 | C3 | 110.2° | 105.3° |
| O10 | C | H | 109.5° | 110.4° |
| O12 | C1 | C2 | 113.5° | 110.5° |
| O12 | C1 | H1 | 111.1° | 110.5° |
| C1 | O12 | HO12 | 109.5° | 114.1° |
| C1 | C2 | C3 | 104.3° | 104.2° |
| C1 | C2 | O11 | 113.5° | 110.5° |
| C1 | C2 | H2 | 109.0° | 110.5° |
| C2 | C1 | H1 | 109.4° | 110.5° |
| O9 | P | O | 109.3° | 109.4° |
| O9 | P | O8 | 118.6° | 109.5° |
| O | P | O8 | 109.8° | 109.5° |
| P | O | C4 | 119.1° | 123.0° |
| P | O8 | H9 | 109.5° | 114.1° |
| O10 | C3 | C4 | 109.6° | 110.4° |
| O10 | C3 | C2 | 105.5° | 104.8° |
| O10 | C3 | H3 | 109.6° | 110.5° |
| O | C4 | C3 | 109.3° | 109.5° |
| O | C4 | H42 | 109.5° | 109.5° |
| O | C4 | H41 | 109.5° | 109.4° |
| C4 | C3 | C2 | 115.0° | 110.4° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C4 | C3 | H3 | 108.7° | 110.3° |
| C3 | C2 | O11 | 110.0° | 110.5° |
| C3 | C2 | H2 | 109.2° | 110.5° |
| C2 | C3 | H3 | 108.4° | 110.3° |
| O11 | C2 | H2 | 110.7° | 110.5° |
| C2 | O11 | HO11 | 109.5° | 114.0° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| HN62 | N6 | HN61 | 109.4° | 120.0° |
| H42 | C4 | H41 | 109.5° | 109.4° |
| HN41 | N4 | HN42 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C14 | N3 | C11 | 179.2° | 179.9° |
| N4 | C14 | N3 | C13 | 179.5° | 179.9° |
| N4 | C14 | C11 | N1 | 1.0° | 0.1° |
| N4 | C14 | C11 | C12 | 179.4° | 180.0° |
| C14 | N4 | HN41 | HN42 | 120.0° | 180.0° |
| C14 | N3 | C13 | N2 | 0.1° | 0.1° |
| N3 | C14 | C11 | N1 | 178.1° | 180.0° |
| N3 | C14 | C11 | C12 | 0.2° | 0.0° |
| C14 | N3 | C13 | H13 | 179.9° | 180.0° |
| N3 | C14 | N4 | HN41 | 0.0° | 0.0° |
| N3 | C14 | N4 | HN42 | 120.0° | 180.0° |
| C13 | N3 | C14 | C11 | 0.4° | 0.0° |
| N3 | C13 | N2 | H13 | 180.0° | 179.8° |
| N3 | C13 | N2 | C12 | 0.3° | 0.2° |
| C14 | C11 | N1 | C12 | 178.4° | 180.0° |
| C14 | C11 | N1 | C10 | 178.5° | 180.0° |
| C14 | C11 | C12 | N2 | 0.1° | 0.0° |
| C14 | C11 | C12 | N | 178.4° | 180.0° |
| C11 | C14 | N4 | HN41 | 179.1° | 180.0° |
| C11 | C14 | N4 | HN42 | 60.9° | 0.0° |
| C13 | N2 | C12 | C11 | 0.4° | 0.1° |
| C13 | N2 | C12 | N | 177.9° | 179.9° |
| N1 | C11 | C12 | N2 | 178.8° | 180.0° |
| N1 | C11 | C12 | N | 0.3° | 0.0° |
| C11 | N1 | C10 | N | 0.5° | 0.0° |
| C11 | N1 | C10 | H10 | 179.6° | 179.9° |
| C12 | C11 | N1 | C10 | 0.1° | 0.0° |
| C11 | C12 | N2 | N | 178.3° | 180.0° |
| C11 | C12 | N | C10 | 0.5° | 0.0° |
| C11 | C12 | N | C9 | 174.9° | 180.0° |
| N1 | C10 | N | C12 | 0.7° | 0.0° |
| N1 | C10 | N | H10 | 180.0° | 180.0° |
| N1 | C10 | N | C9 | 174.4° | 180.0° |
| N2 | C12 | N | C10 | 179.1° | 180.0° |
| N2 | C12 | N | C9 | 3.6° | 0.0° |
| C12 | N2 | C13 | H13 | 179.8° | 180.0° |
| C12 | N | C10 | C9 | 175.1° | 180.0° |
| C12 | N | C9 | C8 | 162.7° | 85.0° |
| C12 | N | C9 | O4 | 78.4° | 160.9° |
| C12 | N | C10 | H10 | 179.4° | 180.0° |
| C12 | N | C9 | H7 | 40.7° | 37.8° |
| C10 | N | C9 | C8 | 11.6° | 95.0° |
| C10 | N | C9 | O4 | 107.3° | 19.1° |
| C10 | N | C9 | H7 | 133.6° | 142.1° |
| N | C9 | C8 | O5 | 73.5° | 86.2° |
| N | C9 | C8 | O4 | 121.5° | 118.5° |
| N | C9 | C8 | H7 | 122.4° | 122.8° |
| N | C9 | O4 | H7 | 118.7° | 122.9° |
| N | C9 | C8 | C7 | 167.1° | 155.6° |
| N | C9 | O4 | C6 | 159.3° | 158.6° |
| N | C9 | C8 | H6 | 51.7° | 37.4° |
| C9 | N | C10 | H10 | 5.6° | 0.1° |
| O5 | C8 | C9 | C7 | 119.5° | 118.2° |
| O5 | C8 | C9 | H6 | 125.1° | 123.6° |
| O5 | C8 | C9 | O4 | 165.0° | 155.3° |
| O5 | C8 | C7 | H6 | 126.3° | 123.6° |
| O5 | C8 | C7 | O6 | 40.9° | 20.5° |
| O5 | C8 | C7 | C6 | 157.9° | 139.2° |
| O5 | C8 | C7 | H5 | 84.4° | 102.2° |
| O5 | C8 | C9 | H7 | 48.9° | 36.6° |
| C8 | C9 | O4 | H7 | 115.1° | 118.6° |
| C9 | C8 | C7 | H6 | 115.5° | 118.2° |
| C9 | C8 | C7 | O6 | 77.3° | 97.8° |
| C8 | C9 | O4 | C6 | 33.1° | 40.1° |
| C9 | C8 | C7 | C6 | 39.7° | 20.9° |
| C9 | C8 | C7 | H5 | 157.4° | 139.5° |
| C9 | C8 | O5 | HO5 | 180.0° | 174.2° |
| O4 | C9 | C8 | C7 | 45.5° | 37.1° |
| C9 | O4 | C6 | C7 | 6.4° | 26.6° |
| C9 | O4 | C6 | C5 | 131.5° | 146.0° |
| O4 | C9 | C8 | H6 | 69.9° | 81.1° |
| C9 | O4 | C6 | H4 | 109.7° | 92.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 3.3° | 0.1° |
| C19 | C18 | C17 | N6 | 171.3° | 180.0° |
| C19 | C18 | C17 | C16 | 3.1° | 0.0° |
| C18 | C19 | C20 | H20 | 176.7° | 180.0° |
| C20 | C19 | C18 | C17 | 1.5° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 0.4° | 0.1° |
| C19 | C20 | C21 | C22 | 175.6° | 180.0° |
| C20 | C19 | C18 | H18 | 178.6° | 180.0° |
| C8 | C7 | O6 | C6 | 112.2° | 114.8° |
| C8 | C7 | O6 | H5 | 124.5° | 122.7° |
| C8 | C7 | C6 | O4 | 22.2° | 2.0° |
| C8 | C7 | C6 | H5 | 117.8° | 118.7° |
| C8 | C7 | C6 | C5 | 99.7° | 121.4° |
| C8 | C7 | C6 | H4 | 139.0° | 117.6° |
| C7 | C8 | C9 | H7 | 70.6° | 81.7° |
| C7 | C8 | O5 | HO5 | 69.8° | 61.4° |
| C8 | C7 | O6 | HO6 | 180.0° | 61.4° |
| C18 | C17 | N6 | C16 | 174.3° | 180.0° |
| C18 | C17 | C16 | C21 | 5.7° | 0.0° |
| C18 | C17 | C16 | C15 | 169.8° | 180.0° |
| C18 | C17 | N6 | HN62 | 180.0° | 180.0° |
| C18 | C17 | N6 | HN61 | 60.0° | 0.0° |
| C17 | C18 | C19 | H19 | 178.5° | 180.0° |
| O6 | C7 | C6 | O4 | 95.7° | 120.8° |
| O6 | C7 | C6 | H5 | 124.3° | 122.6° |
| O6 | C7 | C6 | C5 | 142.4° | 119.8° |
| O6 | C7 | C8 | H6 | 167.2° | 144.0° |
| O6 | C7 | C6 | H4 | 21.1° | 1.2° |
| O4 | C6 | C7 | C5 | 121.8° | 119.4° |
| O4 | C6 | C7 | H4 | 116.8° | 119.6° |
| O4 | C6 | C5 | H4 | 119.3° | 121.2° |
| O4 | C6 | C5 | O3 | 68.6° | 66.9° |
| O4 | C6 | C5 | H51 | 51.3° | 173.1° |
| O4 | C6 | C5 | H52 | 171.5° | 53.1° |
| O4 | C6 | C7 | H5 | 139.9° | 116.6° |
| C6 | O4 | C9 | H7 | 82.0° | 78.5° |
| C20 | C21 | C16 | C17 | 4.0° | 0.1° |
| C20 | C21 | C16 | C22 | 176.2° | 179.9° |
| C20 | C21 | C16 | C15 | 171.8° | 180.0° |
| C20 | C21 | C22 | C23 | 171.9° | 180.0° |
| C21 | C20 | C19 | H19 | 176.7° | 180.0° |
| C20 | C21 | C22 | H22 | 8.1° | 0.0° |
| C7 | C6 | C5 | H4 | 121.2° | 121.0° |
| C7 | C6 | C5 | O3 | 50.9° | 175.3° |
| C6 | C7 | C8 | H6 | 75.8° | 97.3° |
| C7 | C6 | C5 | H51 | 170.8° | 55.3° |
| C7 | C6 | C5 | H52 | 69.0° | 64.7° |
| C6 | C7 | O6 | HO6 | 67.8° | 176.2° |
| N6 | C17 | C16 | C21 | 168.6° | 180.0° |
| N6 | C17 | C16 | C15 | 15.8° | 0.0° |
| C17 | N6 | HN62 | HN61 | 120.0° | 180.0° |
| N6 | C17 | C18 | H18 | 8.8° | 0.0° |
| C17 | C16 | C21 | C15 | 175.8° | 180.0° |
| C17 | C16 | C21 | C22 | 179.8° | 180.0° |
| C17 | C16 | C15 | N5 | 175.2° | 180.0° |
| C16 | C17 | N6 | HN62 | 5.7° | 0.0° |
| C16 | C17 | N6 | HN61 | 125.7° | 180.0° |
| C17 | C16 | C15 | H15 | 4.8° | 0.3° |
| C16 | C17 | C18 | H18 | 176.9° | 180.0° |
| C6 | C5 | O3 | H51 | 119.9° | 120.0° |
| C6 | C5 | O3 | H52 | 119.9° | 120.0° |
| C6 | C5 | O3 | P1 | 136.9° | 180.0° |
| C6 | C5 | H51 | H52 | 120.4° | 120.0° |
| C5 | C6 | C7 | H5 | 18.1° | 2.8° |
| C16 | C21 | C22 | C23 | 4.2° | 0.1° |
| C21 | C16 | C15 | N5 | 0.4° | 0.0° |
| C21 | C16 | C15 | H15 | 179.6° | 179.7° |
| C16 | C21 | C20 | H20 | 179.5° | 180.0° |
| C16 | C21 | C22 | H22 | 175.8° | 179.9° |
| C22 | C21 | C16 | C15 | 4.4° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | N5 | 0.9° | 0.0° |
| C22 | C21 | C20 | H20 | 4.4° | 0.1° |
| C21 | C22 | C23 | H23 | 179.1° | 180.0° |
| C16 | C15 | N5 | H15 | 180.0° | 179.7° |
| C16 | C15 | N5 | C23 | 5.8° | 0.1° |
| C16 | C15 | N5 | C | 162.2° | 179.7° |
| C5 | O3 | P1 | O2 | 162.6° | 55.0° |
| C5 | O3 | P1 | O7 | 65.1° | 65.0° |
| C5 | O3 | P1 | O1 | 49.6° | 175.0° |
| O3 | C5 | H51 | H52 | 120.3° | 119.9° |
| O3 | C5 | C6 | H4 | 172.1° | 54.3° |
| O3 | P1 | O2 | O7 | 127.0° | 120.0° |
| O3 | P1 | O2 | O1 | 109.0° | 120.0° |
| O3 | P1 | O7 | O1 | 110.8° | 120.0° |
| O3 | P1 | O1 | P | 174.8° | 160.0° |
| P1 | O3 | C5 | H51 | 103.2° | 60.0° |
| P1 | O3 | C5 | H52 | 17.0° | 60.0° |
| O3 | P1 | O7 | H8 | 125.3° | 60.0° |
| C22 | C23 | N5 | C15 | 6.0° | 0.0° |
| C22 | C23 | N5 | H23 | 180.0° | 179.9° |
| C22 | C23 | N5 | C | 161.8° | 179.7° |
| O2 | P1 | O7 | O1 | 123.9° | 120.1° |
| O2 | P1 | O1 | P | 72.7° | 40.0° |
| O2 | P1 | O7 | H8 | 0.0° | 180.0° |
| C15 | N5 | C23 | C | 167.9° | 179.8° |
| C15 | N5 | C | C1 | 45.0° | 100.0° |
| C15 | N5 | C | O10 | 165.8° | 144.6° |
| C15 | N5 | C | H | 75.2° | 22.3° |
| C15 | N5 | C23 | H23 | 174.0° | 179.9° |
| O7 | P1 | O1 | P | 58.2° | 80.0° |
| P1 | O1 | P | O9 | 44.5° | 45.0° |
| P1 | O1 | P | O | 158.3° | 165.0° |
| P1 | O1 | P | O8 | 87.6° | 75.0° |
| O1 | P1 | O7 | H8 | 123.9° | 60.0° |
| C23 | N5 | C | C1 | 146.7° | 80.2° |
| C23 | N5 | C | O10 | 26.0° | 35.2° |
| C23 | N5 | C | H | 93.0° | 157.5° |
| C23 | N5 | C15 | H15 | 174.3° | 179.7° |
| N5 | C23 | C22 | H22 | 179.1° | 179.9° |
| N5 | C | C1 | O10 | 121.2° | 118.9° |
| N5 | C | C1 | H | 120.7° | 122.3° |
| N5 | C | O10 | H | 118.3° | 122.3° |
| N5 | C | C1 | O12 | 118.9° | 98.5° |
| N5 | C | C1 | C2 | 119.5° | 142.8° |
| N5 | C | O10 | C3 | 105.8° | 159.3° |
| N5 | C | C1 | H1 | 2.5° | 24.2° |
| C | N5 | C15 | H15 | 17.8° | 0.1° |
| C | N5 | C23 | H23 | 18.2° | 0.3° |
| O1 | P | O9 | O | 105.9° | 120.0° |
| O1 | P | O9 | O8 | 127.3° | 120.0° |
| O1 | P | O | O8 | 114.1° | 120.0° |
| O1 | P | O | C4 | 70.7° | 175.0° |
| O1 | P | O8 | H9 | 127.4° | 60.0° |
| C1 | C | O10 | H | 117.0° | 118.8° |
| C | C1 | O12 | C2 | 115.9° | 114.7° |
| C | C1 | O12 | H1 | 120.4° | 122.7° |
| C | C1 | C2 | H1 | 117.0° | 118.7° |
| C1 | C | O10 | C3 | 18.8° | 40.4° |
| C | C1 | C2 | C3 | 14.6° | 0.1° |
| C | C1 | C2 | O11 | 105.0° | 118.6° |
| C | C1 | C2 | H2 | 131.1° | 118.8° |
| C | C1 | O12 | HO12 | 180.0° | 180.0° |
| O10 | C | C1 | O12 | 119.9° | 142.6° |
| O10 | C | C1 | C2 | 1.7° | 23.9° |
| C | O10 | C3 | C4 | 96.0° | 159.2° |
| C | O10 | C3 | C2 | 28.3° | 40.4° |
| O10 | C | C1 | H1 | 118.6° | 94.7° |
| C | O10 | C3 | H3 | 144.8° | 78.5° |
| O12 | C1 | C2 | H1 | 124.7° | 122.6° |
| O12 | C1 | C2 | C3 | 132.9° | 118.8° |
| O12 | C1 | C2 | O11 | 13.3° | 0.1° |
| O12 | C1 | C2 | H2 | 110.6° | 122.5° |
| O12 | C1 | C | H | 1.7° | 23.8° |
| C1 | C2 | C3 | O10 | 25.7° | 23.9° |
| C1 | C2 | C3 | C4 | 95.2° | 142.7° |
| C1 | C2 | C3 | O11 | 122.0° | 118.7° |
| C1 | C2 | C3 | H2 | 116.4° | 118.7° |
| C1 | C2 | O11 | H2 | 123.0° | 122.6° |
| C2 | C1 | C | H | 119.8° | 94.9° |
| C1 | C2 | C3 | H3 | 143.0° | 95.0° |
| C1 | C2 | O11 | HO11 | 180.0° | 63.3° |
| C2 | C1 | O12 | HO12 | 64.2° | 65.4° |
| O9 | P | O | O8 | 131.6° | 120.0° |
| O9 | P | O | C4 | 175.0° | 55.0° |
| O9 | P | O8 | H9 | 0.0° | 180.0° |
| P | O | C4 | C3 | 172.9° | 180.0° |
| P | O | C4 | H42 | 67.1° | 59.9° |
| P | O | C4 | H41 | 52.9° | 60.0° |
| O | P | O8 | H9 | 126.6° | 60.0° |
| O8 | P | O | C4 | 43.4° | 65.0° |
| O10 | C3 | C4 | O | 62.7° | 69.6° |
| O10 | C3 | C4 | C2 | 118.6° | 115.4° |
| O10 | C3 | C4 | H3 | 119.7° | 122.4° |
| O10 | C3 | C2 | H3 | 117.3° | 118.9° |
| O10 | C3 | C2 | O11 | 96.3° | 142.6° |
| O10 | C3 | C2 | H2 | 142.1° | 94.8° |
| O10 | C3 | C4 | H42 | 57.2° | 50.4° |
| O10 | C3 | C4 | H41 | 177.3° | 170.4° |
| C3 | O10 | C | H | 135.8° | 78.4° |
| O | C4 | C3 | H42 | 120.0° | 120.1° |
| O | C4 | C3 | H41 | 120.0° | 120.0° |
| O | C4 | C3 | C2 | 178.7° | 175.0° |
| O | C4 | H42 | H41 | 120.1° | 119.9° |
| O | C4 | C3 | H3 | 57.0° | 52.7° |
| C4 | C3 | C2 | H3 | 121.9° | 122.2° |
| C4 | C3 | C2 | O11 | 142.8° | 98.5° |
| C4 | C3 | C2 | H2 | 21.2° | 24.0° |
| C3 | C4 | H42 | H41 | 120.1° | 120.0° |
| C3 | C2 | O11 | H2 | 120.7° | 122.6° |
| C2 | C3 | C4 | H42 | 61.4° | 65.0° |
| C2 | C3 | C4 | H41 | 58.7° | 55.0° |
| C3 | C2 | C1 | H1 | 102.4° | 118.6° |
| C3 | C2 | O11 | HO11 | 63.7° | 178.1° |
| O11 | C2 | C1 | H1 | 138.0° | 122.7° |
| O11 | C2 | C3 | H3 | 21.0° | 23.7° |
| H6 | C8 | C7 | H5 | 41.9° | 21.3° |
| H6 | C8 | C9 | H7 | 174.0° | 160.1° |
| H6 | C8 | O5 | HO5 | 55.7° | 62.2° |
| H51 | C5 | C6 | H4 | 68.0° | 65.7° |
| H52 | C5 | C6 | H4 | 52.2° | 174.3° |
| H4 | C6 | C7 | H5 | 103.2° | 123.8° |
| H2 | C2 | C1 | H1 | 14.1° | 0.1° |
| H2 | C2 | C3 | H3 | 100.6° | 146.3° |
| H2 | C2 | O11 | HO11 | 57.1° | 59.3° |
| H42 | C4 | C3 | H3 | 176.9° | 172.8° |
| H41 | C4 | C3 | H3 | 63.0° | 67.2° |
| H | C | C1 | H1 | 123.2° | 146.5° |
| H1 | C1 | O12 | HO12 | 59.6° | 57.2° |
| H18 | C18 | C19 | H19 | 1.5° | 0.1° |
| H19 | C19 | C20 | H20 | 3.3° | 0.1° |
| H22 | C22 | C23 | H23 | 0.9° | 0.0° |
| H5 | C7 | O6 | HO6 | 55.5° | 61.3° |
