DQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C14 | sing | 1.43Å | 1.42Å | |
| O3 | P | doub | 1.48Å | 1.51Å | |
| C18 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C19 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C11 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| O10 | C13 | sing | 1.43Å | 1.42Å | |
| C11 | O9 | sing | 1.44Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| O4 | P | sing | 1.61Å | 1.49Å | |
| C12 | O9 | sing | 1.44Å | 1.41Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C12 | N1 | sing | 1.46Å | 1.46Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| P | O5 | sing | 1.61Å | 1.58Å | |
| N4 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| O | C | doub | 1.22Å | 1.26Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| O2 | C9 | sing | 1.43Å | 1.44Å | |
| C19 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C16 | doub | 1.41Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.50Å | |
| N1 | C15 | sing | 1.36Å | 1.37Å | Aromatic |
| O8 | C10 | sing | 1.43Å | 1.43Å | |
| O8 | P1 | sing | 1.61Å | 1.53Å | |
| O1 | C7 | sing | 1.44Å | 1.44Å | |
| O1 | C8 | sing | 1.44Å | 1.43Å | |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | N3 | sing | 1.38Å | 1.34Å | |
| C16 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| O5 | P1 | sing | 1.61Å | 1.59Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | C21 | sing | 1.54Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C20 | sing | 1.55Å | 1.53Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| P1 | O7 | doub | 1.48Å | 1.47Å | |
| P1 | O6 | sing | 1.61Å | 1.56Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| O13 | C21 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.55Å | 1.54Å | |
| C20 | O12 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| O10 | H19 | sing | 0.97Å | 0.95Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| O12 | H22 | sing | 0.97Å | 0.95Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| O13 | H24 | sing | 0.97Å | 0.95Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| N | H27 | sing | 0.97Å | 1.00Å | |
| N | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C14 | C11 | 109.6° | 110.5° |
| O11 | C14 | C13 | 112.8° | 110.5° |
| O11 | C14 | H16 | 111.4° | 110.6° |
| C14 | O11 | H18 | 109.5° | 114.0° |
| O3 | P | O4 | 111.5° | 109.4° |
| O3 | P | O2 | 111.0° | 109.5° |
| O3 | P | O5 | 107.5° | 109.5° |
| N5 | C18 | N4 | 128.9° | 122.5° |
| C18 | N5 | C19 | 111.0° | 120.6° |
| N5 | C18 | H20 | 115.5° | 118.8° |
| C18 | N4 | C17 | 118.6° | 121.2° |
| N4 | C18 | H20 | 115.6° | 118.8° |
| N5 | C19 | N1 | 127.4° | 134.9° |
| N5 | C19 | C16 | 126.8° | 119.1° |
| C11 | C14 | C13 | 103.3° | 104.2° |
| C14 | C11 | O9 | 106.6° | 107.3° |
| C14 | C11 | C10 | 115.4° | 109.8° |
| C14 | C11 | H11 | 108.4° | 110.0° |
| C11 | C14 | H16 | 109.7° | 110.5° |
| C14 | C13 | O10 | 111.6° | 110.9° |
| C14 | C13 | C12 | 100.2° | 102.1° |
| C14 | C13 | H15 | 110.7° | 110.9° |
| C13 | C14 | H16 | 109.7° | 110.5° |
| O10 | C13 | C12 | 110.7° | 110.9° |
| O10 | C13 | H15 | 112.4° | 110.8° |
| C13 | O10 | H19 | 109.5° | 114.0° |
| O9 | C11 | C10 | 107.8° | 109.9° |
| C11 | O9 | C12 | 109.0° | 107.0° |
| O9 | C11 | H11 | 109.6° | 109.9° |
| C11 | C10 | O8 | 108.5° | 109.5° |
| C11 | C10 | H8 | 109.7° | 109.5° |
| C11 | C10 | H9 | 109.7° | 109.5° |
| C10 | C11 | H11 | 108.8° | 109.9° |
| O4 | P | O2 | 115.1° | 109.5° |
| O4 | P | O5 | 107.3° | 109.5° |
| P | O4 | H2 | 109.5° | 114.0° |
| O9 | C12 | C13 | 106.3° | 103.5° |
| O9 | C12 | N1 | 108.6° | 110.6° |
| O9 | C12 | H12 | 109.1° | 110.6° |
| C13 | C12 | N1 | 116.6° | 110.6° |
| C13 | C12 | H12 | 107.6° | 110.6° |
| C12 | C13 | H15 | 110.8° | 110.9° |
| C12 | N1 | C19 | 125.0° | 126.3° |
| C12 | N1 | C15 | 129.2° | 126.3° |
| N1 | C12 | H12 | 108.4° | 110.7° |
| O2 | P | O5 | 103.8° | 109.5° |
| P | O2 | C9 | 120.7° | 123.0° |
| P | O5 | P1 | 127.5° | 134.0° |
| N4 | C17 | C16 | 117.8° | 118.5° |
| N4 | C17 | N3 | 118.5° | 120.8° |
| O | C | N | 122.8° | 120.0° |
| O | C | C1 | 119.3° | 120.0° |
| N | C | C1 | 118.0° | 120.0° |
| C | N | H27 | 120.0° | 120.1° |
| C | N | H28 | 120.0° | 120.0° |
| O2 | C9 | C8 | 112.8° | 109.5° |
| O2 | C9 | H6 | 108.6° | 109.5° |
| O2 | C9 | H7 | 108.6° | 109.5° |
| N1 | C19 | C16 | 105.8° | 106.1° |
| C19 | N1 | C15 | 105.8° | 107.4° |
| C19 | C16 | C17 | 116.9° | 118.2° |
| C19 | C16 | N2 | 110.7° | 107.1° |
| C | C1 | C6 | 120.8° | 120.1° |
| C | C1 | C2 | 119.8° | 120.2° |
| N1 | C15 | N2 | 114.0° | 110.0° |
| N1 | C15 | H17 | 123.0° | 125.0° |
| C10 | O8 | P1 | 126.9° | 123.0° |
| O8 | C10 | H8 | 109.7° | 109.4° |
| O8 | C10 | H9 | 109.7° | 109.4° |
| O8 | P1 | O5 | 106.0° | 109.5° |
| O8 | P1 | O7 | 114.2° | 109.5° |
| O8 | P1 | O6 | 107.4° | 109.5° |
| C7 | O1 | C8 | 110.4° | 107.0° |
| O1 | C7 | C5 | 111.3° | 109.9° |
| O1 | C7 | C21 | 107.3° | 107.3° |
| O1 | C7 | H4 | 107.9° | 110.0° |
| O1 | C8 | C9 | 108.9° | 110.6° |
| O1 | C8 | C20 | 105.2° | 103.5° |
| O1 | C8 | H5 | 110.7° | 110.8° |
| C1 | C6 | C5 | 120.6° | 119.8° |
| C6 | C1 | C2 | 119.3° | 119.7° |
| C1 | C6 | H3 | 119.7° | 120.1° |
| C6 | C5 | C7 | 120.1° | 119.9° |
| C6 | C5 | C4 | 119.1° | 120.1° |
| C5 | C6 | H3 | 119.7° | 120.1° |
| C1 | C2 | C3 | 120.3° | 119.9° |
| C1 | C2 | H26 | 119.9° | 120.1° |
| C16 | C17 | N3 | 123.8° | 120.8° |
| C17 | C16 | N2 | 132.5° | 134.7° |
| C17 | N3 | H13 | 109.5° | 120.0° |
| C17 | N3 | H14 | 109.5° | 120.0° |
| C16 | N2 | C15 | 103.7° | 109.5° |
| O5 | P1 | O7 | 113.3° | 109.5° |
| O5 | P1 | O6 | 107.5° | 109.5° |
| C5 | C7 | C21 | 116.1° | 109.9° |
| C7 | C5 | C4 | 120.3° | 120.0° |
| C5 | C7 | H4 | 107.2° | 109.9° |
| C7 | C21 | O13 | 110.4° | 110.5° |
| C7 | C21 | C20 | 104.1° | 104.2° |
| C21 | C7 | H4 | 106.8° | 109.9° |
| C7 | C21 | H23 | 109.2° | 110.5° |
| C9 | C8 | C20 | 113.1° | 110.6° |
| C9 | C8 | H5 | 109.6° | 110.5° |
| C8 | C9 | H6 | 108.6° | 109.5° |
| C8 | C9 | H7 | 108.6° | 109.5° |
| C8 | C20 | C21 | 104.3° | 102.1° |
| C8 | C20 | O12 | 112.0° | 110.9° |
| C20 | C8 | H5 | 109.3° | 110.7° |
| C8 | C20 | H21 | 109.7° | 110.9° |
| C5 | C4 | C3 | 120.6° | 120.3° |
| C5 | C4 | H1 | 119.7° | 119.8° |
| O7 | P1 | O6 | 108.1° | 109.5° |
| P1 | O6 | H10 | 109.5° | 114.0° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C2 | C3 | H25 | 120.0° | 120.0° |
| C3 | C2 | H26 | 119.9° | 120.0° |
| N2 | C15 | H17 | 123.0° | 125.0° |
| O13 | C21 | C20 | 112.7° | 110.5° |
| O13 | C21 | H23 | 110.9° | 110.6° |
| C21 | O13 | H24 | 109.5° | 114.0° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| C4 | C3 | H25 | 119.9° | 119.9° |
| C21 | C20 | O12 | 109.8° | 110.9° |
| C21 | C20 | H21 | 109.6° | 110.9° |
| C20 | C21 | H23 | 109.3° | 110.5° |
| O12 | C20 | H21 | 111.2° | 110.8° |
| C20 | O12 | H22 | 109.5° | 114.0° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.4° | 109.4° |
| H13 | N3 | H14 | 109.4° | 120.0° |
| H27 | N | H28 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C14 | C11 | C13 | 120.5° | 118.6° |
| O11 | C14 | C11 | H16 | 122.6° | 122.7° |
| O11 | C14 | C13 | H16 | 124.8° | 122.7° |
| O11 | C14 | C13 | O10 | 32.1° | 20.5° |
| O11 | C14 | C11 | O9 | 101.6° | 120.7° |
| O11 | C14 | C11 | C10 | 138.7° | 119.9° |
| O11 | C14 | C13 | C12 | 85.0° | 97.8° |
| O11 | C14 | C11 | H11 | 16.3° | 1.2° |
| O11 | C14 | C13 | H15 | 158.0° | 144.0° |
| O3 | P | O4 | O2 | 127.5° | 120.0° |
| O3 | P | O4 | O5 | 117.5° | 120.0° |
| O3 | P | O2 | O5 | 115.3° | 120.0° |
| O3 | P | O2 | C9 | 155.3° | 55.0° |
| O3 | P | O5 | P1 | 31.3° | 45.0° |
| O3 | P | O4 | H2 | 0.0° | 180.0° |
| N5 | C18 | N4 | H20 | 180.0° | 179.9° |
| N5 | C18 | N4 | C17 | 0.9° | 0.0° |
| C18 | N5 | C19 | N1 | 178.1° | 180.0° |
| C18 | N5 | C19 | C16 | 1.4° | 0.1° |
| N4 | C18 | N5 | C19 | 0.6° | 0.0° |
| C18 | N4 | C17 | C16 | 1.7° | 0.0° |
| C18 | N4 | C17 | N3 | 177.1° | 180.0° |
| N5 | C19 | N1 | C12 | 0.8° | 0.2° |
| N5 | C19 | N1 | C16 | 179.6° | 179.9° |
| N5 | C19 | N1 | C15 | 179.4° | 180.0° |
| N5 | C19 | C16 | C17 | 0.7° | 0.1° |
| N5 | C19 | C16 | N2 | 179.8° | 179.8° |
| C19 | N5 | C18 | H20 | 179.4° | 180.0° |
| C11 | C14 | C13 | H16 | 116.9° | 118.7° |
| C11 | C14 | C13 | O10 | 150.4° | 139.1° |
| C14 | C11 | O9 | C10 | 124.5° | 119.4° |
| C14 | C11 | O9 | H11 | 117.2° | 119.6° |
| C14 | C11 | C10 | H11 | 122.2° | 121.1° |
| C14 | C11 | O9 | C12 | 5.1° | 26.5° |
| C11 | C14 | C13 | C12 | 33.3° | 20.9° |
| C14 | C11 | C10 | O8 | 54.2° | 175.7° |
| C14 | C11 | C10 | H8 | 65.7° | 55.7° |
| C14 | C11 | C10 | H9 | 174.0° | 64.3° |
| C11 | C14 | C13 | H15 | 83.7° | 97.4° |
| C11 | C14 | O11 | H18 | 180.0° | 180.0° |
| C14 | C13 | O10 | C12 | 110.6° | 112.7° |
| C14 | C13 | O10 | H15 | 125.0° | 123.6° |
| C13 | C14 | C11 | O9 | 18.9° | 2.1° |
| C13 | C14 | C11 | C10 | 100.8° | 121.5° |
| C14 | C13 | C12 | O9 | 37.8° | 37.0° |
| C14 | C13 | C12 | H15 | 116.8° | 118.2° |
| C14 | C13 | C12 | N1 | 159.1° | 155.5° |
| C13 | C14 | C11 | H11 | 136.8° | 117.5° |
| C14 | C13 | C12 | H12 | 78.9° | 81.5° |
| C13 | C14 | O11 | H18 | 65.4° | 65.3° |
| C14 | C13 | O10 | H19 | 180.0° | 67.3° |
| O10 | C13 | C12 | O9 | 155.7° | 155.2° |
| O10 | C13 | C12 | H15 | 125.3° | 123.6° |
| O10 | C13 | C12 | N1 | 83.1° | 86.2° |
| O10 | C13 | C12 | H12 | 38.9° | 36.7° |
| O10 | C13 | C14 | H16 | 92.7° | 102.2° |
| O9 | C11 | C10 | H11 | 118.8° | 121.1° |
| C11 | O9 | C12 | C13 | 27.5° | 40.1° |
| C11 | O9 | C12 | N1 | 153.8° | 158.6° |
| O9 | C11 | C10 | O8 | 173.2° | 66.5° |
| O9 | C11 | C10 | H8 | 53.3° | 173.5° |
| O9 | C11 | C10 | H9 | 67.0° | 53.5° |
| C11 | O9 | C12 | H12 | 88.2° | 78.4° |
| O9 | C11 | C14 | H16 | 135.7° | 116.6° |
| C10 | C11 | O9 | C12 | 129.6° | 145.9° |
| C11 | C10 | O8 | H8 | 119.9° | 120.1° |
| C11 | C10 | O8 | H9 | 119.9° | 120.0° |
| C11 | C10 | O8 | P1 | 128.2° | 180.0° |
| C11 | C10 | H8 | H9 | 120.5° | 120.1° |
| C10 | C11 | C14 | H16 | 16.1° | 2.8° |
| O4 | P | O2 | O5 | 117.0° | 120.0° |
| O4 | P | O2 | C9 | 77.0° | 65.0° |
| O4 | P | O5 | P1 | 151.3° | 75.0° |
| O9 | C12 | C13 | N1 | 121.2° | 118.5° |
| O9 | C12 | C13 | H12 | 116.8° | 118.5° |
| O9 | C12 | N1 | H12 | 118.4° | 123.0° |
| O9 | C12 | N1 | C19 | 79.7° | 156.7° |
| O9 | C12 | N1 | C15 | 100.1° | 23.5° |
| C12 | O9 | C11 | H11 | 112.1° | 93.0° |
| O9 | C12 | C13 | H15 | 79.0° | 81.2° |
| C13 | C12 | N1 | H12 | 121.6° | 123.0° |
| C13 | C12 | N1 | C19 | 160.2° | 89.2° |
| C13 | C12 | N1 | C15 | 20.0° | 90.6° |
| C12 | C13 | C14 | H16 | 150.2° | 139.5° |
| C12 | C13 | O10 | H19 | 69.4° | 180.0° |
| C12 | N1 | C19 | C15 | 179.8° | 179.8° |
| C12 | N1 | C19 | C16 | 179.6° | 179.7° |
| C12 | N1 | C15 | N2 | 179.2° | 180.0° |
| N1 | C12 | C13 | H15 | 42.2° | 37.3° |
| C12 | N1 | C15 | H17 | 0.8° | 0.1° |
| O2 | P | O5 | P1 | 86.4° | 165.0° |
| P | O2 | C9 | C8 | 149.7° | 180.0° |
| O2 | P | O4 | H2 | 127.5° | 60.0° |
| P | O2 | C9 | H6 | 89.9° | 60.0° |
| P | O2 | C9 | H7 | 29.1° | 60.0° |
| O5 | P | O2 | C9 | 40.0° | 175.0° |
| P | O5 | P1 | O8 | 57.5° | 165.0° |
| P | O5 | P1 | O7 | 68.5° | 45.0° |
| P | O5 | P1 | O6 | 172.1° | 75.0° |
| O5 | P | O4 | H2 | 117.5° | 60.0° |
| N4 | C17 | C16 | C19 | 0.9° | 0.0° |
| N4 | C17 | C16 | N3 | 178.7° | 180.0° |
| N4 | C17 | C16 | N2 | 177.9° | 179.6° |
| N4 | C17 | N3 | H13 | 0.0° | 0.0° |
| N4 | C17 | N3 | H14 | 120.0° | 180.0° |
| C17 | N4 | C18 | H20 | 179.1° | 180.0° |
| O | C | N | C1 | 179.7° | 180.0° |
| O | C | C1 | C6 | 151.4° | 0.0° |
| O | C | C1 | C2 | 25.4° | 179.7° |
| O | C | N | H27 | 0.0° | 180.0° |
| O | C | N | H28 | 180.0° | 0.0° |
| N | C | C1 | C6 | 28.3° | 180.0° |
| N | C | C1 | C2 | 154.9° | 0.2° |
| C | N | H27 | H28 | 179.9° | 180.0° |
| O2 | C9 | C8 | O1 | 59.9° | 70.9° |
| O2 | C9 | C8 | H6 | 120.5° | 120.0° |
| O2 | C9 | C8 | H7 | 120.5° | 120.0° |
| O2 | C9 | C8 | C20 | 176.5° | 175.0° |
| O2 | C9 | C8 | H5 | 61.3° | 52.1° |
| O2 | C9 | H6 | H7 | 118.5° | 120.0° |
| N1 | C19 | C16 | C17 | 178.9° | 180.0° |
| N1 | C19 | C16 | N2 | 0.2° | 0.3° |
| C19 | N1 | C15 | N2 | 0.7° | 0.2° |
| C19 | N1 | C12 | H12 | 38.7° | 33.7° |
| C19 | N1 | C15 | H17 | 179.3° | 179.7° |
| C16 | C19 | N1 | C15 | 0.3° | 0.1° |
| C19 | C16 | C17 | N2 | 178.8° | 179.6° |
| C19 | C16 | C17 | N3 | 177.8° | 180.0° |
| C19 | C16 | N2 | C15 | 0.5° | 0.4° |
| C | C1 | C6 | C2 | 176.9° | 179.8° |
| C | C1 | C6 | C5 | 176.2° | 180.0° |
| C | C1 | C2 | C3 | 176.7° | 179.8° |
| C | C1 | C6 | H3 | 3.8° | 0.0° |
| C | C1 | C2 | H26 | 3.3° | 0.3° |
| C1 | C | N | H27 | 179.7° | 0.0° |
| C1 | C | N | H28 | 0.3° | 180.0° |
| N1 | C15 | N2 | C16 | 0.7° | 0.4° |
| N1 | C15 | N2 | H17 | 180.0° | 179.9° |
| C15 | N1 | C12 | H12 | 141.5° | 146.5° |
| C10 | O8 | P1 | O5 | 156.7° | 175.0° |
| C10 | O8 | P1 | O7 | 77.8° | 55.0° |
| C10 | O8 | P1 | O6 | 42.0° | 65.0° |
| O8 | C10 | H8 | H9 | 120.5° | 119.9° |
| O8 | C10 | C11 | H11 | 68.0° | 54.6° |
| O8 | P1 | O5 | O7 | 126.0° | 120.0° |
| O8 | P1 | O5 | O6 | 114.6° | 120.0° |
| O8 | P1 | O7 | O6 | 119.5° | 120.0° |
| P1 | O8 | C10 | H8 | 8.3° | 59.9° |
| P1 | O8 | C10 | H9 | 112.0° | 60.0° |
| O8 | P1 | O6 | H10 | 123.6° | 60.0° |
| O1 | C7 | C5 | C6 | 22.6° | 142.2° |
| O1 | C7 | C5 | C21 | 123.1° | 117.8° |
| O1 | C7 | C5 | H4 | 117.7° | 121.2° |
| O1 | C7 | C21 | H4 | 115.5° | 119.6° |
| C7 | O1 | C8 | C9 | 147.6° | 158.6° |
| C7 | O1 | C8 | C20 | 26.1° | 40.1° |
| O1 | C7 | C5 | C4 | 165.8° | 37.8° |
| O1 | C7 | C21 | O13 | 113.4° | 120.7° |
| O1 | C7 | C21 | C20 | 7.7° | 2.0° |
| C7 | O1 | C8 | H5 | 91.9° | 78.5° |
| O1 | C7 | C21 | H23 | 124.4° | 116.6° |
| C8 | O1 | C7 | C5 | 139.5° | 145.9° |
| C8 | O1 | C7 | C21 | 11.5° | 26.5° |
| O1 | C8 | C9 | C20 | 116.6° | 114.1° |
| O1 | C8 | C9 | H5 | 121.2° | 123.0° |
| O1 | C8 | C20 | H5 | 118.9° | 118.7° |
| O1 | C8 | C20 | C21 | 29.9° | 37.1° |
| O1 | C8 | C20 | O12 | 148.6° | 155.2° |
| C8 | O1 | C7 | H4 | 103.2° | 92.9° |
| O1 | C8 | C9 | H6 | 60.6° | 169.1° |
| O1 | C8 | C9 | H7 | 179.6° | 49.1° |
| O1 | C8 | C20 | H21 | 87.4° | 81.2° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 170.7° | 180.0° |
| C1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | H26 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.2° |
| C6 | C5 | C7 | C4 | 171.6° | 180.0° |
| C6 | C5 | C7 | C21 | 145.7° | 100.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H1 | 179.0° | 179.7° |
| C6 | C5 | C7 | H4 | 95.1° | 21.0° |
| C1 | C2 | C3 | H26 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C2 | C1 | C6 | H3 | 179.4° | 179.7° |
| C1 | C2 | C3 | H25 | 179.8° | 179.5° |
| C17 | C16 | N2 | C15 | 178.3° | 180.0° |
| C16 | C17 | N3 | H13 | 178.7° | 180.0° |
| C16 | C17 | N3 | H14 | 58.7° | 0.0° |
| N3 | C17 | C16 | N2 | 3.4° | 0.4° |
| C17 | N3 | H13 | H14 | 120.0° | 179.9° |
| C16 | N2 | C15 | H17 | 179.3° | 179.5° |
| O5 | P1 | O7 | O6 | 119.0° | 120.0° |
| O5 | P1 | O6 | H10 | 122.7° | 60.0° |
| C5 | C7 | C21 | H4 | 119.4° | 121.1° |
| C5 | C7 | C21 | O13 | 121.4° | 119.9° |
| C7 | C5 | C4 | C3 | 170.7° | 180.0° |
| C5 | C7 | C21 | C20 | 117.4° | 121.4° |
| C7 | C5 | C4 | H1 | 9.3° | 0.3° |
| C7 | C5 | C6 | H3 | 9.3° | 0.0° |
| C5 | C7 | C21 | H23 | 0.8° | 2.8° |
| C7 | C21 | C20 | C8 | 22.6° | 20.9° |
| C21 | C7 | C5 | C4 | 42.7° | 80.0° |
| C7 | C21 | O13 | C20 | 115.9° | 114.7° |
| C7 | C21 | O13 | H23 | 121.2° | 122.6° |
| C7 | C21 | C20 | H23 | 116.6° | 118.6° |
| C7 | C21 | C20 | O12 | 142.7° | 139.1° |
| C7 | C21 | C20 | H21 | 94.8° | 97.4° |
| C7 | C21 | O13 | H24 | 180.0° | 180.0° |
| C9 | C8 | C20 | H5 | 122.4° | 122.8° |
| C9 | C8 | C20 | C21 | 148.6° | 155.5° |
| C9 | C8 | C20 | O12 | 92.7° | 86.3° |
| C8 | C9 | H6 | H7 | 118.5° | 120.0° |
| C9 | C8 | C20 | H21 | 31.3° | 37.3° |
| C8 | C20 | C21 | O13 | 97.1° | 97.8° |
| C8 | C20 | C21 | O12 | 120.2° | 118.2° |
| C8 | C20 | C21 | H21 | 117.4° | 118.2° |
| C8 | C20 | O12 | H21 | 123.1° | 123.7° |
| C20 | C8 | C9 | H6 | 56.0° | 55.0° |
| C20 | C8 | C9 | H7 | 63.0° | 65.0° |
| C8 | C20 | O12 | H22 | 180.0° | 180.0° |
| C8 | C20 | C21 | H23 | 139.1° | 139.5° |
| C5 | C4 | C3 | C2 | 0.5° | 0.2° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H3 | 179.0° | 180.0° |
| C4 | C5 | C7 | H4 | 76.5° | 159.0° |
| C5 | C4 | C3 | H25 | 179.4° | 179.7° |
| O7 | P1 | O6 | H10 | 0.0° | 180.0° |
| C2 | C3 | C4 | H25 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.5° | 179.9° |
| O13 | C21 | C20 | H23 | 123.8° | 122.7° |
| O13 | C21 | C20 | O12 | 23.1° | 20.4° |
| O13 | C21 | C7 | H4 | 2.0° | 1.1° |
| O13 | C21 | C20 | H21 | 145.6° | 144.0° |
| C4 | C3 | C2 | H26 | 179.8° | 180.0° |
| C21 | C20 | O12 | H21 | 121.5° | 123.6° |
| C20 | C21 | C7 | H4 | 123.2° | 117.5° |
| C21 | C20 | C8 | H5 | 89.0° | 81.7° |
| C21 | C20 | O12 | H22 | 64.6° | 67.3° |
| C20 | C21 | O13 | H24 | 64.1° | 65.3° |
| O12 | C20 | C8 | H5 | 29.6° | 36.5° |
| O12 | C20 | C21 | H23 | 100.7° | 102.3° |
| H1 | C4 | C3 | H25 | 0.6° | 0.0° |
| H4 | C7 | C21 | H23 | 120.2° | 123.8° |
| H5 | C8 | C9 | H6 | 178.2° | 67.9° |
| H5 | C8 | C9 | H7 | 59.2° | 172.1° |
| H5 | C8 | C20 | H21 | 153.7° | 160.1° |
| H8 | C10 | C11 | H11 | 172.1° | 65.4° |
| H9 | C10 | C11 | H11 | 51.9° | 174.6° |
| H11 | C11 | C14 | H16 | 106.3° | 123.9° |
| H12 | C12 | C13 | H15 | 164.2° | 160.3° |
| H15 | C13 | C14 | H16 | 33.2° | 21.3° |
| H15 | C13 | O10 | H19 | 55.1° | 56.4° |
| H16 | C14 | O11 | H18 | 58.4° | 57.3° |
| H21 | C20 | O12 | H22 | 56.9° | 56.4° |
| H21 | C20 | C21 | H23 | 21.8° | 21.3° |
| H23 | C21 | O13 | H24 | 58.8° | 57.4° |
| H25 | C3 | C2 | H26 | 0.2° | 0.0° |
