1OF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C14 | sing | 1.38Å | 1.33Å | |
| N3 | C14 | doub | 1.33Å | 1.36Å | Aromatic |
| N3 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | C11 | sing | 1.41Å | 1.40Å | 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 | 1.34Å | Aromatic |
| C12 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | N | sing | 1.36Å | 1.37Å | Aromatic |
| N | C9 | sing | 1.46Å | 1.45Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C9 | O4 | sing | 1.44Å | 1.42Å | |
| C19 | N6 | sing | 1.36Å | 1.33Å | |
| C19 | C18 | doub | 1.35Å | 1.39Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| N6 | C20 | sing | 1.35Å | 1.39Å | |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| O4 | C6 | sing | 1.44Å | 1.45Å | |
| C18 | C17 | sing | 1.46Å | 1.41Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C20 | O13 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | sing | 1.47Å | 1.44Å | |
| C17 | C21 | doub | 1.42Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| C16 | C15 | doub | 1.37Å | 1.35Å | Aromatic |
| C22 | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| O2 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O7 | sing | 1.61Å | 1.47Å | |
| P1 | O1 | sing | 1.61Å | 1.60Å | |
| C15 | N5 | sing | 1.32Å | 1.36Å | Aromatic |
| N5 | C | sing | 1.47Å | 1.48Å | |
| O1 | P | sing | 1.61Å | 1.60Å | |
| C | C1 | sing | 1.55Å | 1.53Å | |
| C | O10 | sing | 1.45Å | 1.41Å | |
| P | O8 | doub | 1.48Å | 1.47Å | |
| P | O9 | sing | 1.61Å | 1.48Å | |
| P | O | sing | 1.61Å | 1.58Å | |
| C1 | O12 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| O10 | C3 | sing | 1.44Å | 1.44Å | |
| C4 | O | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C2 | O11 | sing | 1.43Å | 1.42Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | 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 | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | 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 | |
| O9 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C14 | N3 | 119.4° | 120.8° |
| N4 | C14 | C11 | 123.1° | 120.8° |
| C14 | N4 | HN41 | 109.5° | 120.0° |
| C14 | N4 | HN42 | 109.5° | 120.0° |
| C14 | N3 | C13 | 119.5° | 121.2° |
| N3 | C14 | C11 | 117.5° | 118.5° |
| N3 | C13 | N2 | 128.5° | 122.5° |
| N3 | C13 | H13 | 115.8° | 118.7° |
| C14 | C11 | N1 | 132.6° | 134.7° |
| C14 | C11 | C12 | 116.6° | 118.2° |
| C13 | N2 | C12 | 110.8° | 120.6° |
| N2 | C13 | H13 | 115.8° | 118.8° |
| N1 | C11 | C12 | 110.8° | 107.1° |
| C11 | N1 | C10 | 103.6° | 109.5° |
| C11 | C12 | N2 | 127.2° | 119.1° |
| C11 | C12 | N | 105.7° | 106.0° |
| N1 | C10 | N | 113.9° | 110.0° |
| N1 | C10 | H10 | 123.0° | 125.1° |
| N2 | C12 | N | 127.1° | 134.9° |
| C12 | N | C10 | 106.0° | 107.5° |
| C12 | N | C9 | 123.8° | 126.3° |
| C10 | N | C9 | 129.9° | 126.3° |
| N | C10 | H10 | 123.1° | 125.0° |
| N | C9 | C8 | 116.5° | 110.6° |
| N | C9 | O4 | 109.3° | 110.6° |
| N | C9 | H7 | 108.6° | 110.6° |
| O5 | C8 | C9 | 111.1° | 111.0° |
| O5 | C8 | C7 | 113.5° | 110.9° |
| O5 | C8 | H6 | 112.0° | 110.8° |
| C8 | O5 | HO5 | 109.5° | 114.0° |
| C8 | C9 | O4 | 105.5° | 103.5° |
| C9 | C8 | C7 | 98.6° | 102.1° |
| C9 | C8 | H6 | 110.5° | 110.9° |
| C8 | C9 | H7 | 107.7° | 110.6° |
| C9 | O4 | C6 | 107.6° | 107.0° |
| O4 | C9 | H7 | 109.1° | 110.7° |
| N6 | C19 | C18 | 121.9° | 122.5° |
| C19 | N6 | C20 | 121.8° | 122.4° |
| C19 | N6 | HN6 | 119.1° | 118.8° |
| N6 | C19 | H19 | 119.1° | 118.8° |
| C19 | C18 | C17 | 120.3° | 119.2° |
| C19 | C18 | H18 | 119.8° | 120.4° |
| C18 | C19 | H19 | 119.1° | 118.7° |
| C8 | C7 | O6 | 111.3° | 110.5° |
| C8 | C7 | C6 | 102.6° | 104.2° |
| C7 | C8 | H6 | 110.4° | 110.9° |
| C8 | C7 | H5 | 110.5° | 110.5° |
| N6 | C20 | O13 | 120.0° | 120.4° |
| N6 | C20 | C21 | 117.1° | 119.1° |
| C20 | N6 | HN6 | 119.1° | 118.8° |
| O6 | C7 | C6 | 109.5° | 110.5° |
| O6 | C7 | H5 | 112.1° | 110.5° |
| C7 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C6 | C7 | 106.3° | 107.3° |
| O4 | C6 | C5 | 110.2° | 109.9° |
| O4 | C6 | H4 | 109.1° | 110.0° |
| C18 | C17 | C21 | 116.9° | 118.6° |
| C18 | C17 | C16 | 126.3° | 123.0° |
| C17 | C18 | H18 | 119.8° | 120.4° |
| C7 | C6 | C5 | 115.0° | 109.9° |
| C7 | C6 | H4 | 107.9° | 109.9° |
| C6 | C7 | H5 | 110.4° | 110.5° |
| C6 | C5 | O3 | 109.4° | 109.5° |
| C6 | C5 | H52 | 109.5° | 109.5° |
| C6 | C5 | H51 | 109.5° | 109.5° |
| C5 | C6 | H4 | 108.2° | 109.9° |
| O13 | C20 | C21 | 122.7° | 120.5° |
| C20 | C21 | C17 | 121.8° | 118.3° |
| C20 | C21 | C22 | 119.4° | 122.8° |
| C21 | C17 | C16 | 116.7° | 118.4° |
| C17 | C21 | C22 | 118.8° | 118.9° |
| C17 | C16 | C15 | 121.1° | 118.5° |
| C17 | C16 | H16 | 119.4° | 120.7° |
| C21 | C22 | N5 | 123.5° | 119.7° |
| C21 | C22 | H22 | 118.3° | 120.1° |
| C5 | O3 | P1 | 122.6° | 123.1° |
| O3 | C5 | H52 | 109.5° | 109.5° |
| O3 | C5 | H51 | 109.5° | 109.4° |
| O3 | P1 | O2 | 108.5° | 109.5° |
| O3 | P1 | O7 | 109.2° | 109.4° |
| O3 | P1 | O1 | 102.4° | 109.5° |
| C16 | C15 | N5 | 121.5° | 121.7° |
| C16 | C15 | H15 | 119.2° | 119.1° |
| C15 | C16 | H16 | 119.5° | 120.7° |
| C22 | N5 | C15 | 118.1° | 122.8° |
| C22 | N5 | C | 119.9° | 118.6° |
| N5 | C22 | H22 | 118.3° | 120.2° |
| O2 | P1 | O7 | 119.7° | 109.5° |
| O2 | P1 | O1 | 108.5° | 109.5° |
| O7 | P1 | O1 | 107.1° | 109.5° |
| P1 | O7 | H8 | 109.5° | 114.0° |
| P1 | O1 | P | 131.4° | 134.0° |
| C15 | N5 | C | 121.0° | 118.6° |
| N5 | C15 | H15 | 119.3° | 119.2° |
| N5 | C | C1 | 115.4° | 110.4° |
| N5 | C | O10 | 109.1° | 110.4° |
| N5 | C | H | 108.0° | 110.4° |
| O1 | P | O8 | 110.8° | 109.5° |
| O1 | P | O9 | 109.7° | 109.5° |
| O1 | P | O | 99.3° | 109.5° |
| C1 | C | O10 | 108.0° | 104.8° |
| C | C1 | O12 | 107.6° | 110.5° |
| C | C1 | C2 | 105.0° | 104.1° |
| C1 | C | H | 107.4° | 110.4° |
| C | C1 | H1 | 109.9° | 110.5° |
| C | O10 | C3 | 109.8° | 105.2° |
| O10 | C | H | 108.9° | 110.4° |
| O8 | P | O9 | 118.5° | 109.5° |
| O8 | P | O | 106.3° | 109.5° |
| O9 | P | O | 110.6° | 109.5° |
| P | O9 | H9 | 109.5° | 114.0° |
| P | O | C4 | 119.8° | 123.0° |
| O12 | C1 | C2 | 113.1° | 110.5° |
| O12 | C1 | H1 | 111.4° | 110.6° |
| C1 | O12 | HO12 | 109.5° | 114.0° |
| C1 | C2 | C3 | 103.7° | 104.2° |
| C1 | C2 | O11 | 115.1° | 110.5° |
| C1 | C2 | H2 | 108.5° | 110.5° |
| C2 | C1 | H1 | 109.6° | 110.5° |
| O10 | C3 | C4 | 108.8° | 110.4° |
| O10 | C3 | C2 | 105.9° | 104.8° |
| O10 | C3 | H3 | 110.0° | 110.5° |
| O | C4 | C3 | 107.2° | 109.4° |
| O | C4 | H42 | 110.0° | 109.5° |
| O | C4 | H41 | 110.0° | 109.5° |
| C4 | C3 | C2 | 114.3° | 110.3° |
| C3 | C4 | H42 | 110.0° | 109.5° |
| C3 | C4 | H41 | 110.0° | 109.5° |
| C4 | C3 | H3 | 109.1° | 110.3° |
| C3 | C2 | O11 | 110.4° | 110.5° |
| C3 | C2 | H2 | 108.7° | 110.5° |
| C2 | C3 | H3 | 108.8° | 110.4° |
| O11 | C2 | H2 | 110.2° | 110.5° |
| C2 | O11 | HO11 | 109.5° | 114.0° |
| H52 | C5 | H51 | 109.4° | 109.5° |
| H42 | C4 | H41 | 109.5° | 109.6° |
| HN41 | N4 | HN42 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C14 | N3 | C11 | 178.6° | 179.9° |
| N4 | C14 | N3 | C13 | 178.7° | 179.9° |
| N4 | C14 | C11 | N1 | 1.5° | 0.1° |
| N4 | C14 | C11 | C12 | 177.9° | 180.0° |
| C14 | N4 | HN41 | HN42 | 120.0° | 180.0° |
| C14 | N3 | C13 | N2 | 0.9° | 0.1° |
| N3 | C14 | C11 | N1 | 180.0° | 179.9° |
| N3 | C14 | C11 | C12 | 0.6° | 0.0° |
| C14 | N3 | C13 | H13 | 179.1° | 179.9° |
| N3 | C14 | N4 | HN41 | 0.0° | 0.0° |
| N3 | C14 | N4 | HN42 | 120.0° | 180.0° |
| C13 | N3 | C14 | C11 | 0.2° | 0.1° |
| N3 | C13 | N2 | H13 | 180.0° | 179.8° |
| N3 | C13 | N2 | C12 | 0.7° | 0.0° |
| C14 | C11 | N1 | C12 | 179.5° | 179.9° |
| C14 | C11 | N1 | C10 | 179.0° | 179.9° |
| C14 | C11 | C12 | N2 | 0.8° | 0.1° |
| C14 | C11 | C12 | N | 178.4° | 180.0° |
| C11 | C14 | N4 | HN41 | 178.5° | 180.0° |
| C11 | C14 | N4 | HN42 | 61.5° | 0.1° |
| C13 | N2 | C12 | C11 | 0.2° | 0.0° |
| C13 | N2 | C12 | N | 178.9° | 180.0° |
| N1 | C11 | C12 | N2 | 179.6° | 180.0° |
| N1 | C11 | C12 | N | 1.1° | 0.1° |
| C11 | N1 | C10 | N | 0.4° | 0.0° |
| C11 | N1 | C10 | H10 | 179.6° | 179.9° |
| C12 | C11 | N1 | C10 | 0.5° | 0.0° |
| C11 | C12 | N2 | N | 179.1° | 179.9° |
| C11 | C12 | N | C10 | 1.3° | 0.1° |
| C11 | C12 | N | C9 | 171.9° | 180.0° |
| N1 | C10 | N | C12 | 1.1° | 0.0° |
| N1 | C10 | N | H10 | 180.0° | 179.9° |
| N1 | C10 | N | C9 | 171.5° | 180.0° |
| N2 | C12 | N | C10 | 179.5° | 180.0° |
| N2 | C12 | N | C9 | 7.3° | 0.1° |
| C12 | N2 | C13 | H13 | 179.3° | 179.9° |
| C12 | N | C10 | C9 | 172.6° | 179.9° |
| C12 | N | C9 | C8 | 173.2° | 85.1° |
| C12 | N | C9 | O4 | 67.4° | 160.9° |
| C12 | N | C10 | H10 | 178.9° | 180.0° |
| C12 | N | C9 | H7 | 51.5° | 37.8° |
| C10 | N | C9 | C8 | 1.8° | 95.0° |
| C10 | N | C9 | O4 | 121.2° | 19.0° |
| C10 | N | C9 | H7 | 119.9° | 142.1° |
| N | C9 | C8 | O5 | 75.6° | 86.3° |
| N | C9 | C8 | O4 | 121.4° | 118.5° |
| N | C9 | C8 | H7 | 122.1° | 122.9° |
| N | C9 | O4 | H7 | 118.5° | 123.0° |
| N | C9 | C8 | C7 | 165.0° | 155.5° |
| N | C9 | O4 | C6 | 157.3° | 158.5° |
| N | C9 | C8 | H6 | 49.4° | 37.3° |
| C9 | N | C10 | H10 | 8.5° | 0.1° |
| O5 | C8 | C9 | C7 | 119.4° | 118.2° |
| O5 | C8 | C9 | H6 | 125.0° | 123.6° |
| O5 | C8 | C9 | O4 | 162.9° | 155.2° |
| O5 | C8 | C7 | H6 | 126.7° | 123.6° |
| O5 | C8 | C7 | O6 | 38.9° | 20.4° |
| O5 | C8 | C7 | C6 | 155.9° | 139.1° |
| O5 | C8 | C7 | H5 | 86.4° | 102.2° |
| O5 | C8 | C9 | H7 | 46.5° | 36.6° |
| C8 | C9 | O4 | H7 | 115.5° | 118.5° |
| C9 | C8 | C7 | H6 | 115.7° | 118.2° |
| C9 | C8 | C7 | O6 | 78.6° | 97.8° |
| C8 | C9 | O4 | C6 | 31.4° | 40.0° |
| C9 | C8 | C7 | C6 | 38.3° | 20.9° |
| C9 | C8 | C7 | H5 | 156.1° | 139.5° |
| C9 | C8 | O5 | HO5 | 180.0° | 174.2° |
| O4 | C9 | C8 | C7 | 43.6° | 37.0° |
| C9 | O4 | C6 | C7 | 5.5° | 26.5° |
| C9 | O4 | C6 | C5 | 130.7° | 146.0° |
| O4 | C9 | C8 | H6 | 72.0° | 81.1° |
| C9 | O4 | C6 | H4 | 110.6° | 93.0° |
| N6 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | N6 | C20 | HN6 | 180.0° | 179.7° |
| N6 | C19 | C18 | C17 | 2.4° | 0.5° |
| C19 | N6 | C20 | O13 | 172.8° | 179.7° |
| C19 | N6 | C20 | C21 | 3.0° | 0.3° |
| N6 | C19 | C18 | H18 | 177.6° | 179.8° |
| C18 | C19 | N6 | C20 | 0.7° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.3° |
| C19 | C18 | C17 | C21 | 0.3° | 0.7° |
| C19 | C18 | C17 | C16 | 176.6° | 179.3° |
| C18 | C19 | N6 | HN6 | 179.3° | 179.7° |
| C8 | C7 | O6 | C6 | 112.7° | 114.8° |
| C8 | C7 | O6 | H5 | 124.4° | 122.6° |
| C8 | C7 | C6 | O4 | 22.0° | 2.0° |
| C8 | C7 | C6 | H5 | 117.8° | 118.7° |
| C8 | C7 | C6 | C5 | 100.3° | 121.5° |
| C8 | C7 | C6 | H4 | 138.8° | 117.5° |
| C7 | C8 | C9 | H7 | 72.9° | 81.6° |
| C7 | C8 | O5 | HO5 | 70.0° | 61.5° |
| C8 | C7 | O6 | HO6 | 180.0° | 61.4° |
| N6 | C20 | O13 | C21 | 175.5° | 179.9° |
| N6 | C20 | C21 | C17 | 5.0° | 0.0° |
| N6 | C20 | C21 | C22 | 172.1° | 179.4° |
| C20 | N6 | C19 | H19 | 179.3° | 180.0° |
| O6 | C7 | C6 | O4 | 96.3° | 120.7° |
| O6 | C7 | C6 | H5 | 124.0° | 122.6° |
| O6 | C7 | C6 | C5 | 141.4° | 119.8° |
| O6 | C7 | C8 | H6 | 165.6° | 144.0° |
| O6 | C7 | C6 | H4 | 20.6° | 1.2° |
| O4 | C6 | C7 | C5 | 122.3° | 119.4° |
| O4 | C6 | C7 | H4 | 116.9° | 119.6° |
| O4 | C6 | C5 | H4 | 119.2° | 121.1° |
| O4 | C6 | C5 | O3 | 73.6° | 66.8° |
| O4 | C6 | C5 | H52 | 46.4° | 173.2° |
| O4 | C6 | C5 | H51 | 166.4° | 53.1° |
| O4 | C6 | C7 | H5 | 139.7° | 116.6° |
| C6 | O4 | C9 | H7 | 84.1° | 78.5° |
| C18 | C17 | C21 | C20 | 3.4° | 0.5° |
| C18 | C17 | C21 | C16 | 177.2° | 180.0° |
| C18 | C17 | C21 | C22 | 173.8° | 179.9° |
| C18 | C17 | C16 | C15 | 172.9° | 180.0° |
| C18 | C17 | C16 | H16 | 7.1° | 0.1° |
| C17 | C18 | C19 | H19 | 177.6° | 179.5° |
| C7 | C6 | C5 | H4 | 120.7° | 121.0° |
| C7 | C6 | C5 | O3 | 46.5° | 175.3° |
| C6 | C7 | C8 | H6 | 77.4° | 97.3° |
| C7 | C6 | C5 | H52 | 166.5° | 55.3° |
| C7 | C6 | C5 | H51 | 73.5° | 64.7° |
| C6 | C7 | O6 | HO6 | 67.4° | 176.2° |
| C6 | C5 | O3 | H52 | 120.0° | 120.0° |
| C6 | C5 | O3 | H51 | 120.0° | 120.0° |
| C6 | C5 | O3 | P1 | 135.8° | 180.0° |
| C6 | C5 | H52 | H51 | 120.0° | 120.0° |
| C5 | C6 | C7 | H5 | 17.5° | 2.8° |
| O13 | C20 | C21 | C17 | 170.6° | 179.9° |
| O13 | C20 | C21 | C22 | 12.2° | 0.6° |
| O13 | C20 | N6 | HN6 | 7.2° | 0.0° |
| C20 | C21 | C17 | C22 | 177.2° | 179.5° |
| C20 | C21 | C17 | C16 | 179.4° | 179.5° |
| C20 | C21 | C22 | N5 | 176.1° | 179.5° |
| C21 | C20 | N6 | HN6 | 177.0° | 179.9° |
| C20 | C21 | C22 | H22 | 3.9° | 0.5° |
| C21 | C17 | C16 | C15 | 4.0° | 0.0° |
| C17 | C21 | C22 | N5 | 1.1° | 0.1° |
| C21 | C17 | C16 | H16 | 176.0° | 180.0° |
| C21 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C21 | C22 | H22 | 178.9° | 180.0° |
| C16 | C17 | C21 | C22 | 3.4° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | N5 | 0.0° | 0.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 3.4° | 0.0° |
| C21 | C22 | N5 | H22 | 180.0° | 180.0° |
| C21 | C22 | N5 | C15 | 5.2° | 0.1° |
| C21 | C22 | N5 | C | 163.5° | 180.0° |
| C5 | O3 | P1 | O2 | 159.5° | 55.0° |
| C5 | O3 | P1 | O7 | 68.4° | 65.0° |
| C5 | O3 | P1 | O1 | 44.9° | 175.0° |
| O3 | C5 | H52 | H51 | 120.0° | 119.9° |
| O3 | C5 | C6 | H4 | 167.2° | 54.3° |
| O3 | P1 | O2 | O7 | 126.2° | 119.9° |
| O3 | P1 | O2 | O1 | 110.5° | 120.0° |
| O3 | P1 | O7 | O1 | 110.2° | 120.0° |
| O3 | P1 | O1 | P | 163.1° | 160.0° |
| P1 | O3 | C5 | H52 | 104.2° | 60.0° |
| P1 | O3 | C5 | H51 | 15.8° | 60.0° |
| O3 | P1 | O7 | H8 | 125.9° | 60.0° |
| C16 | C15 | N5 | C22 | 4.6° | 0.0° |
| C16 | C15 | N5 | H15 | 180.0° | 180.0° |
| C16 | C15 | N5 | C | 163.9° | 179.9° |
| C22 | N5 | C15 | C | 168.5° | 179.9° |
| C22 | N5 | C | C1 | 44.6° | 100.0° |
| C22 | N5 | C | O10 | 166.3° | 144.7° |
| C22 | N5 | C | H | 75.5° | 22.4° |
| C22 | N5 | C15 | H15 | 175.4° | 179.9° |
| O2 | P1 | O7 | O1 | 123.9° | 120.0° |
| O2 | P1 | O1 | P | 82.4° | 40.0° |
| O2 | P1 | O7 | H8 | 0.0° | 180.0° |
| O7 | P1 | O1 | P | 48.2° | 80.0° |
| P1 | O1 | P | O8 | 98.4° | 40.0° |
| P1 | O1 | P | O9 | 34.1° | 80.0° |
| P1 | O1 | P | O | 150.1° | 160.0° |
| O1 | P1 | O7 | H8 | 123.9° | 60.0° |
| C15 | N5 | C | C1 | 147.1° | 79.9° |
| C15 | N5 | C | O10 | 25.4° | 35.4° |
| C15 | N5 | C | H | 92.7° | 157.7° |
| N5 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | N5 | C22 | H22 | 174.8° | 180.0° |
| N5 | C | C1 | O10 | 122.2° | 118.8° |
| N5 | C | C1 | H | 120.5° | 122.4° |
| N5 | C | O10 | H | 117.6° | 122.4° |
| N5 | C | C1 | O12 | 118.7° | 98.6° |
| N5 | C | C1 | C2 | 120.6° | 142.8° |
| N5 | C | O10 | C3 | 107.3° | 159.3° |
| N5 | C | C1 | H1 | 2.8° | 24.1° |
| C | N5 | C15 | H15 | 16.1° | 0.0° |
| C | N5 | C22 | H22 | 16.5° | 0.1° |
| O1 | P | O8 | O9 | 127.9° | 120.0° |
| O1 | P | O8 | O | 106.9° | 120.0° |
| O1 | P | O9 | O | 108.5° | 120.0° |
| O1 | P | O | C4 | 73.0° | 175.0° |
| O1 | P | O9 | H9 | 128.4° | 60.0° |
| C1 | C | O10 | H | 116.3° | 118.8° |
| C | C1 | O12 | C2 | 115.5° | 114.6° |
| C | C1 | O12 | H1 | 120.5° | 122.7° |
| C | C1 | C2 | H1 | 118.0° | 118.6° |
| C1 | C | O10 | C3 | 18.7° | 40.5° |
| C | C1 | C2 | C3 | 14.5° | 0.1° |
| C | C1 | C2 | O11 | 106.1° | 118.6° |
| C | C1 | C2 | H2 | 130.0° | 118.8° |
| C | C1 | O12 | HO12 | 180.0° | 180.0° |
| O10 | C | C1 | O12 | 119.1° | 142.6° |
| O10 | C | C1 | C2 | 1.6° | 24.0° |
| C | O10 | C3 | C4 | 94.9° | 159.2° |
| C | O10 | C3 | C2 | 28.3° | 40.4° |
| O10 | C | C1 | H1 | 119.4° | 94.7° |
| C | O10 | C3 | H3 | 145.7° | 78.5° |
| O8 | P | O9 | O | 123.0° | 120.0° |
| O8 | P | O | C4 | 42.0° | 55.0° |
| O8 | P | O9 | H9 | 0.0° | 180.0° |
| O9 | P | O | C4 | 171.8° | 65.0° |
| P | O | C4 | C3 | 177.3° | 180.0° |
| P | O | C4 | H42 | 63.0° | 60.0° |
| P | O | C4 | H41 | 57.7° | 60.1° |
| O | P | O9 | H9 | 123.1° | 60.0° |
| O12 | C1 | C2 | H1 | 125.0° | 122.8° |
| O12 | C1 | C2 | C3 | 131.6° | 118.7° |
| O12 | C1 | C2 | O11 | 10.9° | 0.0° |
| O12 | C1 | C2 | H2 | 113.0° | 122.6° |
| O12 | C1 | C | H | 1.8° | 23.8° |
| C1 | C2 | C3 | O10 | 25.7° | 24.0° |
| C1 | C2 | C3 | C4 | 94.0° | 142.7° |
| C1 | C2 | C3 | O11 | 123.8° | 118.7° |
| C1 | C2 | C3 | H2 | 115.3° | 118.8° |
| C1 | C2 | O11 | H2 | 123.0° | 122.6° |
| C2 | C1 | C | H | 118.9° | 94.8° |
| C1 | C2 | C3 | H3 | 143.9° | 95.1° |
| C1 | C2 | O11 | HO11 | 180.0° | 63.4° |
| C2 | C1 | O12 | HO12 | 64.5° | 65.4° |
| O10 | C3 | C4 | O | 71.1° | 69.7° |
| O10 | C3 | C4 | C2 | 118.1° | 115.3° |
| O10 | C3 | C4 | H3 | 119.9° | 122.5° |
| O10 | C3 | C2 | H3 | 118.1° | 119.0° |
| O10 | C3 | C2 | O11 | 98.1° | 142.6° |
| O10 | C3 | C2 | H2 | 141.0° | 94.8° |
| O10 | C3 | C4 | H42 | 48.6° | 50.3° |
| O10 | C3 | C4 | H41 | 169.3° | 170.4° |
| C3 | O10 | C | H | 135.1° | 78.3° |
| O | C4 | C3 | H42 | 119.7° | 120.0° |
| O | C4 | C3 | H41 | 119.6° | 120.0° |
| O | C4 | C3 | C2 | 170.8° | 175.0° |
| O | C4 | H42 | H41 | 121.0° | 120.1° |
| O | C4 | C3 | H3 | 48.9° | 52.8° |
| C4 | C3 | C2 | H3 | 122.1° | 122.2° |
| C4 | C3 | C2 | O11 | 142.2° | 98.6° |
| C4 | C3 | C2 | H2 | 21.3° | 24.0° |
| C3 | C4 | H42 | H41 | 121.0° | 120.0° |
| C3 | C2 | O11 | H2 | 120.0° | 122.6° |
| C2 | C3 | C4 | H42 | 69.5° | 65.0° |
| C2 | C3 | C4 | H41 | 51.2° | 55.1° |
| C3 | C2 | C1 | H1 | 103.4° | 118.6° |
| C3 | C2 | O11 | HO11 | 63.0° | 178.1° |
| O11 | C2 | C1 | H1 | 135.9° | 122.8° |
| O11 | C2 | C3 | H3 | 20.0° | 23.6° |
| H6 | C8 | C7 | H5 | 40.3° | 21.4° |
| H6 | C8 | C9 | H7 | 171.5° | 160.2° |
| H6 | C8 | O5 | HO5 | 55.9° | 62.1° |
| H52 | C5 | C6 | H4 | 72.8° | 65.7° |
| H51 | C5 | C6 | H4 | 47.2° | 174.3° |
| H4 | C6 | C7 | H5 | 103.4° | 123.8° |
| HN6 | N6 | C19 | H19 | 0.7° | 0.3° |
| H2 | C2 | C1 | H1 | 12.0° | 0.2° |
| H2 | C2 | C3 | H3 | 100.9° | 146.2° |
| H2 | C2 | O11 | HO11 | 57.0° | 59.3° |
| H42 | C4 | C3 | H3 | 168.5° | 172.8° |
| H41 | C4 | C3 | H3 | 70.8° | 67.2° |
| H | C | C1 | H1 | 123.3° | 146.5° |
| H1 | C1 | O12 | HO12 | 59.5° | 57.3° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 2.4° | 0.2° |
| H5 | C7 | O6 | HO6 | 55.6° | 61.2° |
