98F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| C11 | N6 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C13 | N9 | sing | 1.38Å | 1.50Å | |
| C13 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| C14 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.54Å | 1.62Å | |
| C16 | C17 | sing | 1.54Å | 1.29Å | |
| C16 | F1 | sing | 1.40Å | 1.39Å | |
| C15 | C18 | sing | 1.54Å | 1.29Å | |
| C15 | O7 | sing | 1.43Å | 1.50Å | |
| C17 | N6 | sing | 1.46Å | 1.53Å | |
| C17 | O5 | sing | 1.43Å | 1.53Å | |
| C20 | C19 | doub | 1.31Å | 1.59Å | |
| C20 | P1 | sing | 1.81Å | 1.88Å | |
| C7 | N2 | sing | 1.47Å | 1.51Å | |
| C7 | C6 | sing | 1.54Å | 1.30Å | |
| C7 | O1 | sing | 1.43Å | 1.53Å | |
| C4 | N3 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C1 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | F2 | sing | 1.40Å | 1.36Å | |
| C5 | C8 | sing | 1.53Å | 1.24Å | |
| C5 | O10 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | O1 | sing | 1.43Å | 1.62Å | |
| N | C | sing | 1.32Å | 1.33Å | Aromatic |
| N | C3 | doub | 1.33Å | 1.35Å | Aromatic |
| O | P | doub | 1.48Å | 1.47Å | |
| C18 | C19 | sing | 1.50Å | 1.52Å | |
| C18 | O5 | sing | 1.43Å | 1.57Å | |
| C3 | N10 | sing | 1.38Å | 1.50Å | |
| C9 | O2 | sing | 1.43Å | 1.40Å | |
| O10 | P1 | sing | 1.61Å | 1.48Å | |
| O2 | P | sing | 1.61Å | 1.57Å | |
| O22 | P1 | doub | 1.48Å | 1.54Å | |
| O3 | P | sing | 1.61Å | 1.55Å | |
| O4 | P1 | sing | 1.61Å | 1.51Å | |
| O7 | P | sing | 1.61Å | 1.69Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N9 | H8 | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.54Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C10 | N5 | 122.8° | 122.4° |
| C10 | N4 | C13 | 120.9° | 121.2° |
| N4 | C10 | H1 | 118.6° | 118.8° |
| C10 | N5 | C11 | 120.3° | 120.7° |
| N5 | C10 | H1 | 118.6° | 118.8° |
| C12 | C11 | N5 | 119.9° | 119.0° |
| C12 | C11 | N6 | 107.1° | 106.0° |
| C11 | C12 | C13 | 117.5° | 118.2° |
| C11 | C12 | N7 | 107.3° | 107.1° |
| N5 | C11 | N6 | 133.1° | 134.9° |
| C11 | N6 | C14 | 107.9° | 107.4° |
| C11 | N6 | C17 | 125.8° | 126.3° |
| C13 | C12 | N7 | 135.2° | 134.7° |
| C12 | C13 | N9 | 120.8° | 120.8° |
| C12 | C13 | N4 | 118.6° | 118.4° |
| C12 | N7 | C14 | 107.5° | 109.5° |
| N9 | C13 | N4 | 120.6° | 120.7° |
| C13 | N9 | H8 | 109.5° | 119.9° |
| C13 | N9 | H9 | 109.5° | 120.1° |
| N7 | C14 | N6 | 110.2° | 109.9° |
| N7 | C14 | H2 | 124.9° | 125.0° |
| C14 | N6 | C17 | 126.2° | 126.3° |
| N6 | C14 | H2 | 124.9° | 125.0° |
| C15 | C16 | C17 | 103.3° | 104.7° |
| C15 | C16 | F1 | 108.1° | 110.4° |
| C16 | C15 | C18 | 104.4° | 104.7° |
| C16 | C15 | O7 | 111.8° | 110.8° |
| C15 | C16 | H3 | 108.8° | 110.4° |
| C16 | C15 | H4 | 107.5° | 110.2° |
| C17 | C16 | F1 | 110.0° | 110.4° |
| C16 | C17 | N6 | 111.5° | 109.7° |
| C16 | C17 | O5 | 104.4° | 108.7° |
| C17 | C16 | H3 | 113.9° | 110.4° |
| C16 | C17 | H5 | 113.3° | 109.7° |
| F1 | C16 | H3 | 112.1° | 110.4° |
| C18 | C15 | O7 | 111.8° | 110.5° |
| C15 | C18 | C19 | 103.9° | 110.0° |
| C15 | C18 | O5 | 104.2° | 107.3° |
| C18 | C15 | H4 | 112.2° | 110.1° |
| C15 | C18 | H17 | 115.5° | 109.6° |
| C15 | O7 | P | 117.8° | 123.1° |
| O7 | C15 | H4 | 109.0° | 110.4° |
| N6 | C17 | O5 | 108.4° | 109.7° |
| N6 | C17 | H5 | 109.5° | 109.6° |
| C17 | O5 | C18 | 104.5° | 109.7° |
| O5 | C17 | H5 | 109.4° | 109.5° |
| C19 | C20 | P1 | 117.9° | 120.1° |
| C20 | C19 | C18 | 119.7° | 119.9° |
| C19 | C20 | H6 | 121.1° | 119.9° |
| C20 | C19 | H18 | 120.1° | 120.0° |
| C20 | P1 | O10 | 110.2° | 109.2° |
| C20 | P1 | O22 | 114.0° | 109.6° |
| C20 | P1 | O4 | 105.4° | 109.5° |
| P1 | C20 | H6 | 121.0° | 120.0° |
| N2 | C7 | C6 | 109.8° | 109.9° |
| N2 | C7 | O1 | 111.0° | 110.0° |
| C7 | N2 | C4 | 127.1° | 126.3° |
| C7 | N2 | C1 | 124.8° | 126.3° |
| N2 | C7 | H7 | 108.7° | 109.9° |
| C6 | C7 | O1 | 107.1° | 106.8° |
| C7 | C6 | F2 | 110.4° | 110.4° |
| C6 | C7 | H7 | 111.8° | 110.0° |
| C7 | C6 | H11 | 112.0° | 110.5° |
| C7 | C6 | C5 | 108.3° | 104.4° |
| C7 | O1 | C8 | 105.7° | 110.5° |
| O1 | C7 | H7 | 108.4° | 110.2° |
| N3 | C4 | N2 | 109.8° | 110.0° |
| C4 | N3 | C2 | 108.1° | 109.4° |
| N3 | C4 | H10 | 125.1° | 125.0° |
| C4 | N2 | C1 | 108.2° | 107.4° |
| N2 | C4 | H10 | 125.1° | 125.0° |
| N3 | C2 | C1 | 106.8° | 107.1° |
| N3 | C2 | C3 | 135.5° | 134.7° |
| C1 | C2 | C3 | 117.7° | 118.2° |
| C2 | C1 | N2 | 107.1° | 106.0° |
| C2 | C1 | N1 | 119.7° | 119.1° |
| C2 | C3 | N | 118.4° | 118.5° |
| C2 | C3 | N10 | 121.0° | 120.8° |
| N2 | C1 | N1 | 133.2° | 134.9° |
| C | N1 | C1 | 121.3° | 120.6° |
| N1 | C | N | 121.0° | 122.5° |
| N1 | C | H16 | 119.5° | 118.7° |
| F2 | C6 | H11 | 111.0° | 110.4° |
| F2 | C6 | C5 | 108.3° | 110.4° |
| C8 | C5 | O10 | 112.7° | 110.3° |
| C5 | C8 | C9 | 111.3° | 109.9° |
| C5 | C8 | O1 | 105.8° | 108.0° |
| C8 | C5 | H13 | 113.0° | 110.2° |
| C5 | C8 | H15 | 114.2° | 109.9° |
| C8 | C5 | C6 | 106.9° | 105.2° |
| C5 | O10 | P1 | 118.1° | 123.0° |
| O10 | C5 | H13 | 109.5° | 110.1° |
| O10 | C5 | C6 | 107.9° | 110.5° |
| C9 | C8 | O1 | 107.8° | 109.7° |
| C8 | C9 | O2 | 108.5° | 109.4° |
| C9 | C8 | H15 | 109.2° | 109.5° |
| C8 | C9 | H19 | 109.7° | 109.4° |
| C8 | C9 | H20 | 109.7° | 109.5° |
| O1 | C8 | H15 | 108.2° | 109.8° |
| C | N | C3 | 122.0° | 121.2° |
| N | C | H16 | 119.5° | 118.8° |
| N | C3 | N10 | 120.6° | 120.8° |
| O | P | O2 | 114.3° | 109.4° |
| O | P | O3 | 104.5° | 109.4° |
| O | P | O7 | 113.5° | 109.5° |
| C19 | C18 | O5 | 110.5° | 110.4° |
| C19 | C18 | H17 | 111.5° | 109.9° |
| C18 | C19 | H18 | 120.1° | 120.1° |
| O5 | C18 | H17 | 110.8° | 109.6° |
| C3 | N10 | H23 | 109.5° | 120.0° |
| C3 | N10 | H24 | 109.4° | 120.1° |
| C9 | O2 | P | 119.0° | 123.1° |
| O2 | C9 | H19 | 109.7° | 109.5° |
| O2 | C9 | H20 | 109.7° | 109.5° |
| O10 | P1 | O22 | 114.7° | 109.5° |
| O10 | P1 | O4 | 104.9° | 109.5° |
| O2 | P | O3 | 104.1° | 109.4° |
| O2 | P | O7 | 114.4° | 109.6° |
| O22 | P1 | O4 | 106.8° | 109.5° |
| O3 | P | O7 | 104.5° | 109.5° |
| P | O3 | H21 | 109.5° | 114.0° |
| P1 | O4 | H22 | 109.5° | 114.0° |
| H8 | N9 | H9 | 109.4° | 120.0° |
| H11 | C6 | C5 | 106.7° | 110.5° |
| H13 | C5 | C6 | 106.5° | 110.4° |
| H19 | C9 | H20 | 109.5° | 109.5° |
| H23 | N10 | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C10 | N5 | H1 | 180.0° | 179.8° |
| N4 | C10 | N5 | C11 | 0.1° | 0.0° |
| C10 | N4 | C13 | C12 | 0.1° | 0.0° |
| C10 | N4 | C13 | N9 | 179.8° | 180.0° |
| C10 | N5 | C11 | C12 | 0.1° | 0.0° |
| C10 | N5 | C11 | N6 | 180.0° | 180.0° |
| N5 | C10 | N4 | C13 | 0.2° | 0.0° |
| C12 | C11 | N5 | N6 | 179.9° | 180.0° |
| C11 | C12 | C13 | N7 | 179.9° | 180.0° |
| C11 | C12 | C13 | N9 | 180.0° | 180.0° |
| C11 | C12 | C13 | N4 | 0.1° | 0.0° |
| C11 | C12 | N7 | C14 | 0.1° | 0.0° |
| C12 | C11 | N6 | C14 | 0.1° | 0.0° |
| C12 | C11 | N6 | C17 | 179.9° | 180.0° |
| N5 | C11 | C12 | C13 | 0.2° | 0.0° |
| N5 | C11 | C12 | N7 | 179.9° | 180.0° |
| N5 | C11 | N6 | C14 | 179.8° | 180.0° |
| N5 | C11 | N6 | C17 | 0.0° | 0.0° |
| C11 | N5 | C10 | H1 | 179.9° | 179.7° |
| N6 | C11 | C12 | C13 | 179.9° | 180.0° |
| N6 | C11 | C12 | N7 | 0.0° | 0.0° |
| C11 | N6 | C14 | N7 | 0.2° | 0.0° |
| C11 | N6 | C14 | C17 | 179.8° | 180.0° |
| C11 | N6 | C17 | C16 | 73.4° | 85.0° |
| C11 | N6 | C17 | O5 | 172.1° | 155.7° |
| C11 | N6 | C14 | H2 | 179.9° | 180.0° |
| C11 | N6 | C17 | H5 | 52.8° | 35.4° |
| C12 | C13 | N9 | N4 | 179.9° | 180.0° |
| C13 | C12 | N7 | C14 | 180.0° | 180.0° |
| C12 | C13 | N9 | H8 | 179.9° | 0.0° |
| C12 | C13 | N9 | H9 | 59.9° | 180.0° |
| N7 | C12 | C13 | N9 | 0.1° | 0.0° |
| N7 | C12 | C13 | N4 | 180.0° | 180.0° |
| C12 | N7 | C14 | N6 | 0.2° | 0.0° |
| C12 | N7 | C14 | H2 | 179.9° | 180.0° |
| C13 | N9 | H8 | H9 | 120.0° | 180.0° |
| C13 | N4 | C10 | H1 | 179.8° | 179.7° |
| N4 | C13 | N9 | H8 | 0.0° | 180.0° |
| N4 | C13 | N9 | H9 | 120.0° | 0.0° |
| N7 | C14 | N6 | H2 | 180.0° | 179.9° |
| N7 | C14 | N6 | C17 | 180.0° | 179.9° |
| C14 | N6 | C17 | C16 | 106.8° | 95.0° |
| C14 | N6 | C17 | O5 | 7.6° | 24.3° |
| C14 | N6 | C17 | H5 | 127.0° | 144.5° |
| C15 | C16 | C17 | F1 | 115.3° | 118.8° |
| C15 | C16 | C17 | H3 | 117.9° | 118.8° |
| C15 | C16 | F1 | H3 | 119.9° | 122.4° |
| C16 | C15 | C18 | O7 | 121.1° | 119.3° |
| C16 | C15 | C18 | H4 | 116.1° | 118.5° |
| C16 | C15 | O7 | H4 | 118.7° | 122.3° |
| C15 | C16 | C17 | N6 | 80.0° | 122.9° |
| C15 | C16 | C17 | O5 | 36.9° | 3.0° |
| C16 | C15 | C18 | C19 | 146.2° | 140.3° |
| C16 | C15 | C18 | O5 | 30.4° | 20.2° |
| C16 | C15 | O7 | P | 101.8° | 132.9° |
| C15 | C16 | C17 | H5 | 155.9° | 116.7° |
| C16 | C15 | C18 | H17 | 91.4° | 98.7° |
| C17 | C16 | F1 | H3 | 127.9° | 122.4° |
| C17 | C16 | C15 | C18 | 46.7° | 10.2° |
| C17 | C16 | C15 | O7 | 167.7° | 129.4° |
| C16 | C17 | N6 | O5 | 114.4° | 119.3° |
| C16 | C17 | N6 | H5 | 126.2° | 120.4° |
| C16 | C17 | O5 | H5 | 121.6° | 119.8° |
| C16 | C17 | O5 | C18 | 20.3° | 16.4° |
| C17 | C16 | C15 | H4 | 72.7° | 108.2° |
| F1 | C16 | C15 | C18 | 70.0° | 108.6° |
| F1 | C16 | C15 | O7 | 51.0° | 10.5° |
| F1 | C16 | C17 | N6 | 164.7° | 118.3° |
| F1 | C16 | C17 | O5 | 78.4° | 121.8° |
| F1 | C16 | C15 | H4 | 170.7° | 133.0° |
| F1 | C16 | C17 | H5 | 40.6° | 2.2° |
| C18 | C15 | O7 | H4 | 124.6° | 122.1° |
| C15 | C18 | O5 | C17 | 10.2° | 23.1° |
| C15 | C18 | C19 | C20 | 126.6° | 125.3° |
| C15 | C18 | C19 | O5 | 111.2° | 118.2° |
| C15 | C18 | C19 | H17 | 125.0° | 120.8° |
| C15 | C18 | O5 | H17 | 124.8° | 118.9° |
| C18 | C15 | O7 | P | 141.5° | 111.4° |
| C18 | C15 | C16 | H3 | 168.1° | 129.0° |
| C15 | C18 | C19 | H18 | 53.4° | 54.5° |
| C15 | O7 | P | O | 43.6° | 37.0° |
| O7 | C15 | C18 | C19 | 92.7° | 100.3° |
| O7 | C15 | C18 | O5 | 151.5° | 139.6° |
| C15 | O7 | P | O2 | 90.0° | 83.0° |
| C15 | O7 | P | O3 | 156.8° | 157.0° |
| O7 | C15 | C16 | H3 | 70.9° | 111.8° |
| O7 | C15 | C18 | H17 | 29.7° | 20.7° |
| N6 | C17 | O5 | H5 | 119.4° | 120.3° |
| N6 | C17 | O5 | C18 | 98.7° | 136.3° |
| C17 | N6 | C14 | H2 | 0.0° | 0.0° |
| N6 | C17 | C16 | H3 | 37.9° | 4.1° |
| C17 | O5 | C18 | C19 | 121.2° | 142.9° |
| O5 | C17 | C16 | H3 | 154.8° | 115.8° |
| C17 | O5 | C18 | H17 | 114.6° | 95.9° |
| C19 | C20 | P1 | H6 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 180.0° | 179.8° |
| C20 | C19 | C18 | O5 | 122.1° | 116.5° |
| C19 | C20 | P1 | O10 | 83.9° | 118.4° |
| C19 | C20 | P1 | O22 | 145.5° | 121.7° |
| C19 | C20 | P1 | O4 | 28.7° | 1.5° |
| C20 | C19 | C18 | H17 | 1.6° | 4.5° |
| C20 | P1 | O10 | C5 | 49.6° | 78.2° |
| P1 | C20 | C19 | C18 | 178.2° | 179.5° |
| C20 | P1 | O10 | O22 | 130.2° | 120.0° |
| C20 | P1 | O10 | O4 | 113.0° | 119.9° |
| C20 | P1 | O22 | O4 | 115.9° | 120.2° |
| P1 | C20 | C19 | H18 | 1.8° | 0.4° |
| C20 | P1 | O4 | H22 | 121.5° | 60.0° |
| N2 | C7 | C6 | O1 | 120.7° | 119.3° |
| N2 | C7 | C6 | H7 | 120.7° | 121.2° |
| N2 | C7 | O1 | H7 | 119.3° | 121.3° |
| C7 | N2 | C4 | N3 | 180.0° | 180.0° |
| C7 | N2 | C4 | C1 | 179.9° | 180.0° |
| C7 | N2 | C1 | C2 | 180.0° | 180.0° |
| C7 | N2 | C1 | N1 | 0.2° | 0.0° |
| N2 | C7 | C6 | F2 | 128.2° | 100.8° |
| N2 | C7 | O1 | C8 | 125.8° | 142.4° |
| C7 | N2 | C4 | H10 | 0.0° | 0.3° |
| N2 | C7 | C6 | H11 | 4.0° | 21.6° |
| N2 | C7 | C6 | C5 | 113.4° | 140.4° |
| C6 | C7 | O1 | H7 | 120.8° | 119.4° |
| C6 | C7 | N2 | C4 | 106.3° | 95.0° |
| C6 | C7 | N2 | C1 | 73.6° | 85.0° |
| C7 | C6 | F2 | H11 | 124.9° | 122.4° |
| C7 | C6 | F2 | C5 | 118.4° | 115.0° |
| C7 | C6 | C5 | C8 | 22.7° | 11.9° |
| C7 | C6 | C5 | O10 | 144.2° | 107.1° |
| C6 | C7 | O1 | C8 | 5.9° | 23.1° |
| C7 | C6 | H11 | C5 | 118.3° | 115.1° |
| C7 | C6 | C5 | H13 | 98.3° | 130.8° |
| O1 | C7 | N2 | C4 | 11.9° | 22.3° |
| O1 | C7 | N2 | C1 | 168.2° | 157.7° |
| O1 | C7 | C6 | F2 | 111.1° | 139.9° |
| C7 | O1 | C8 | C5 | 21.3° | 15.3° |
| C7 | O1 | C8 | C9 | 140.5° | 135.0° |
| O1 | C7 | C6 | H11 | 124.7° | 97.7° |
| C7 | O1 | C8 | H15 | 101.5° | 104.6° |
| O1 | C7 | C6 | C5 | 7.3° | 21.1° |
| N3 | C4 | N2 | H10 | 180.0° | 179.7° |
| C4 | N3 | C2 | C1 | 0.0° | 0.0° |
| C4 | N3 | C2 | C3 | 179.9° | 180.0° |
| N3 | C4 | N2 | C1 | 0.1° | 0.0° |
| N2 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | N2 | C1 | C2 | 0.1° | 0.0° |
| C4 | N2 | C1 | N1 | 179.9° | 180.0° |
| C4 | N2 | C7 | H7 | 131.0° | 143.8° |
| N3 | C2 | C1 | C3 | 180.0° | 180.0° |
| N3 | C2 | C1 | N2 | 0.0° | 0.0° |
| N3 | C2 | C1 | N1 | 179.9° | 180.0° |
| N3 | C2 | C3 | N | 179.9° | 179.9° |
| N3 | C2 | C3 | N10 | 0.0° | 0.1° |
| C2 | N3 | C4 | H10 | 179.9° | 179.8° |
| C2 | C1 | N2 | N1 | 179.9° | 180.0° |
| C2 | C1 | N1 | C | 0.1° | 0.0° |
| C1 | C2 | C3 | N | 0.1° | 0.1° |
| C1 | C2 | C3 | N10 | 180.0° | 179.9° |
| C3 | C2 | C1 | N2 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.1° | 0.0° |
| C2 | C3 | N | C | 0.0° | 0.1° |
| C2 | C3 | N | N10 | 179.9° | 180.0° |
| C2 | C3 | N10 | H23 | 179.9° | 0.0° |
| C2 | C3 | N10 | H24 | 59.9° | 180.0° |
| N2 | C1 | N1 | C | 179.9° | 179.9° |
| C1 | N2 | C7 | H7 | 49.1° | 36.2° |
| C1 | N2 | C4 | H10 | 179.9° | 179.8° |
| N1 | C | N | H16 | 180.0° | 180.0° |
| N1 | C | N | C3 | 0.0° | 0.1° |
| C1 | N1 | C | N | 0.0° | 0.0° |
| C1 | N1 | C | H16 | 180.0° | 180.0° |
| F2 | C6 | C5 | C8 | 97.0° | 130.6° |
| F2 | C6 | C5 | O10 | 24.4° | 11.6° |
| F2 | C6 | C7 | H7 | 7.5° | 20.3° |
| F2 | C6 | H11 | C5 | 117.8° | 122.5° |
| F2 | C6 | C5 | H13 | 141.9° | 110.4° |
| C8 | C5 | O10 | H13 | 126.7° | 121.9° |
| C8 | C5 | O10 | C6 | 117.8° | 115.9° |
| C5 | C8 | C9 | O1 | 115.7° | 118.6° |
| C5 | C8 | C9 | H15 | 127.0° | 120.8° |
| C5 | C8 | O1 | H15 | 122.8° | 119.8° |
| C5 | C8 | C9 | O2 | 103.4° | 120.2° |
| C8 | C5 | O10 | P1 | 130.5° | 108.6° |
| C8 | C5 | C6 | H11 | 143.5° | 106.9° |
| C8 | C5 | H13 | C6 | 117.1° | 115.8° |
| C5 | C8 | C9 | H19 | 136.7° | 0.3° |
| C5 | C8 | C9 | H20 | 16.4° | 119.8° |
| O10 | C5 | C8 | C9 | 100.4° | 120.1° |
| O10 | C5 | C8 | O1 | 142.7° | 120.3° |
| C5 | O10 | P1 | O22 | 179.8° | 161.8° |
| C5 | O10 | P1 | O4 | 63.4° | 41.7° |
| O10 | C5 | C6 | H11 | 95.1° | 134.1° |
| O10 | C5 | H13 | C6 | 116.4° | 122.2° |
| O10 | C5 | C8 | H15 | 23.8° | 0.5° |
| C9 | C8 | O1 | H15 | 118.0° | 120.4° |
| C8 | C9 | O2 | H19 | 119.9° | 119.9° |
| C8 | C9 | O2 | H20 | 119.8° | 120.0° |
| C8 | C9 | O2 | P | 152.7° | 173.4° |
| C9 | C8 | C5 | H13 | 24.4° | 1.7° |
| C8 | C9 | H19 | H20 | 120.4° | 120.0° |
| C9 | C8 | C5 | C6 | 141.3° | 120.8° |
| O1 | C8 | C9 | O2 | 12.2° | 121.3° |
| C8 | O1 | C7 | H7 | 114.9° | 96.3° |
| O1 | C8 | C5 | H13 | 92.4° | 117.9° |
| O1 | C8 | C9 | H19 | 107.6° | 118.8° |
| O1 | C8 | C9 | H20 | 132.1° | 1.2° |
| O1 | C8 | C5 | C6 | 24.4° | 1.1° |
| C | N | C3 | N10 | 179.9° | 179.9° |
| C3 | N | C | H16 | 179.9° | 179.9° |
| N | C3 | N10 | H23 | 0.0° | 179.9° |
| N | C3 | N10 | H24 | 120.0° | 0.0° |
| O | P | O2 | C9 | 148.0° | 11.9° |
| O | P | O2 | O3 | 113.3° | 119.9° |
| O | P | O2 | O7 | 133.3° | 120.1° |
| O | P | O3 | O7 | 119.5° | 120.0° |
| O | P | O3 | H21 | 0.0° | 60.0° |
| C19 | C18 | O5 | H17 | 124.2° | 121.3° |
| C19 | C18 | C15 | H4 | 30.1° | 21.9° |
| C18 | C19 | C20 | H6 | 1.8° | 0.3° |
| O5 | C18 | C15 | H4 | 85.7° | 98.2° |
| C18 | O5 | C17 | H5 | 141.9° | 103.4° |
| O5 | C18 | C19 | H18 | 57.9° | 63.7° |
| C3 | N10 | H23 | H24 | 120.0° | 180.0° |
| C9 | O2 | P | O3 | 98.7° | 108.0° |
| C9 | O2 | P | O7 | 14.7° | 132.0° |
| O2 | C9 | C8 | H15 | 129.6° | 0.6° |
| O2 | C9 | H19 | H20 | 120.5° | 120.1° |
| O10 | P1 | O22 | O4 | 115.8° | 120.1° |
| O10 | P1 | C20 | H6 | 96.1° | 61.3° |
| P1 | O10 | C5 | H13 | 3.8° | 13.2° |
| O10 | P1 | O4 | H22 | 122.1° | 179.8° |
| P1 | O10 | C5 | C6 | 111.7° | 135.5° |
| O2 | P | O3 | O7 | 120.3° | 120.1° |
| P | O2 | C9 | H19 | 87.4° | 53.5° |
| P | O2 | C9 | H20 | 32.9° | 66.6° |
| O2 | P | O3 | H21 | 120.1° | 59.9° |
| O22 | P1 | C20 | H6 | 34.5° | 58.6° |
| O22 | P1 | O4 | H22 | 0.0° | 60.2° |
| O4 | P1 | C20 | H6 | 151.3° | 178.8° |
| P | O7 | C15 | H4 | 17.0° | 10.6° |
| O7 | P | O3 | H21 | 119.6° | 180.0° |
| H3 | C16 | C15 | H4 | 48.7° | 10.6° |
| H3 | C16 | C17 | H5 | 86.3° | 124.5° |
| H4 | C15 | C18 | H17 | 152.5° | 142.8° |
| H6 | C20 | C19 | H18 | 178.2° | 179.9° |
| H7 | C7 | C6 | H11 | 116.7° | 142.8° |
| H7 | C7 | C6 | C5 | 125.9° | 98.4° |
| H11 | C6 | C5 | H13 | 22.4° | 12.0° |
| H13 | C5 | C8 | H15 | 148.6° | 122.3° |
| H15 | C8 | C9 | H19 | 9.8° | 120.6° |
| H15 | C8 | C9 | H20 | 110.5° | 119.4° |
| H15 | C8 | C5 | C6 | 94.6° | 118.7° |
| H17 | C18 | C19 | H18 | 178.4° | 175.3° |
