DVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N4 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| N7 | C | sing | 1.38Å | 1.34Å | |
| N5 | C14 | sing | 1.46Å | 1.45Å | |
| N5 | C13 | sing | 1.37Å | 1.37Å | |
| N4 | C13 | sing | 1.37Å | 1.33Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | N6 | doub | 1.30Å | 1.29Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N3 | C1 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C | C1 | doub | 1.41Å | 1.41Å | Aromatic |
| C | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| S | C9 | sing | 1.81Å | 1.81Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | N | doub | 1.33Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| C3 | N | sing | 1.32Å | 1.34Å | Aromatic |
| O | C5 | sing | 1.45Å | 1.42Å | |
| O | C8 | sing | 1.44Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.54Å | |
| C6 | O2 | sing | 1.43Å | 1.42Å | |
| C7 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C12 | C11 | 112.1° | 109.5° |
| C12 | N4 | C13 | 122.3° | 120.0° |
| C12 | N4 | H10 | 118.9° | 120.0° |
| N4 | C12 | H18 | 108.8° | 109.4° |
| N4 | C12 | H19 | 108.8° | 109.4° |
| C12 | C11 | C10 | 112.8° | 109.5° |
| C12 | C11 | H16 | 108.6° | 109.5° |
| C12 | C11 | H17 | 108.6° | 109.5° |
| C11 | C12 | H18 | 108.8° | 109.5° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| N7 | C | C1 | 124.0° | 120.7° |
| N7 | C | N1 | 118.3° | 120.7° |
| C | N7 | H12 | 109.5° | 120.0° |
| C | N7 | H13 | 109.4° | 120.1° |
| C14 | N5 | C13 | 123.2° | 120.0° |
| N5 | C14 | C15 | 114.2° | 109.5° |
| C14 | N5 | H21 | 118.4° | 120.0° |
| N5 | C14 | H22 | 108.3° | 109.4° |
| N5 | C14 | H23 | 108.3° | 109.5° |
| N5 | C13 | N4 | 118.6° | 120.0° |
| N5 | C13 | N6 | 118.1° | 120.0° |
| C13 | N5 | H21 | 118.4° | 120.0° |
| N4 | C13 | N6 | 123.3° | 120.0° |
| C13 | N4 | H10 | 118.9° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | C20 | 121.3° | 120.0° |
| C15 | C14 | H22 | 108.3° | 109.5° |
| C15 | C14 | H23 | 108.3° | 109.5° |
| C13 | N6 | H20 | 112.0° | 120.0° |
| C11 | C10 | S | 112.0° | 109.5° |
| C11 | C10 | H14 | 108.9° | 109.5° |
| C11 | C10 | H15 | 108.9° | 109.5° |
| C10 | C11 | H16 | 108.7° | 109.5° |
| C10 | C11 | H17 | 108.7° | 109.4° |
| C1 | N3 | C4 | 103.7° | 109.4° |
| N3 | C1 | C | 132.4° | 134.7° |
| N3 | C1 | C2 | 110.7° | 107.2° |
| N3 | C4 | N2 | 114.2° | 110.0° |
| N3 | C4 | H8 | 123.0° | 125.0° |
| C1 | C | N1 | 117.7° | 118.5° |
| C | C1 | C2 | 116.9° | 118.1° |
| C | N1 | C3 | 118.8° | 121.2° |
| C16 | C15 | C20 | 118.3° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C15 | C16 | H28 | 119.6° | 120.0° |
| C15 | C20 | C19 | 120.7° | 120.0° |
| C15 | C20 | H24 | 119.7° | 120.0° |
| C10 | S | C9 | 101.6° | 103.0° |
| S | C10 | H14 | 108.8° | 109.5° |
| S | C10 | H15 | 108.8° | 109.4° |
| C1 | C2 | N2 | 105.8° | 106.0° |
| C1 | C2 | N | 126.6° | 119.1° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H27 | 119.9° | 120.0° |
| C17 | C16 | H28 | 119.6° | 120.0° |
| C4 | N2 | C2 | 105.7° | 107.4° |
| C4 | N2 | C5 | 126.8° | 126.2° |
| N2 | C4 | H8 | 122.9° | 125.0° |
| N1 | C3 | N | 128.7° | 122.4° |
| N1 | C3 | H9 | 115.6° | 118.8° |
| S | C9 | C8 | 112.4° | 109.4° |
| S | C9 | H3 | 108.7° | 109.5° |
| S | C9 | H4 | 108.7° | 109.5° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C19 | C20 | H24 | 119.6° | 120.0° |
| C20 | C19 | H25 | 119.8° | 120.0° |
| N2 | C2 | N | 127.6° | 134.9° |
| C2 | N2 | C5 | 127.5° | 126.3° |
| C2 | N | C3 | 111.2° | 120.7° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C17 | C18 | H26 | 120.2° | 120.0° |
| C18 | C17 | H27 | 119.9° | 120.0° |
| N2 | C5 | O | 108.8° | 110.7° |
| N2 | C5 | C6 | 114.9° | 110.6° |
| N2 | C5 | H6 | 109.2° | 110.5° |
| N | C3 | H9 | 115.7° | 118.8° |
| C5 | O | C8 | 108.4° | 107.0° |
| O | C5 | C6 | 105.7° | 103.4° |
| O | C5 | H6 | 109.8° | 110.7° |
| O | C8 | C9 | 108.9° | 110.0° |
| O | C8 | C7 | 107.1° | 107.3° |
| O | C8 | H2 | 109.7° | 109.9° |
| C9 | C8 | C7 | 113.8° | 109.9° |
| C9 | C8 | H2 | 108.8° | 109.9° |
| C8 | C9 | H3 | 108.7° | 109.5° |
| C8 | C9 | H4 | 108.8° | 109.5° |
| C18 | C19 | H25 | 119.9° | 120.0° |
| C19 | C18 | H26 | 120.2° | 120.0° |
| C5 | C6 | C7 | 102.2° | 102.1° |
| C5 | C6 | O2 | 111.4° | 110.9° |
| C6 | C5 | H6 | 108.4° | 110.6° |
| C5 | C6 | H7 | 110.5° | 110.9° |
| C8 | C7 | C6 | 104.0° | 104.3° |
| C8 | C7 | O1 | 110.7° | 110.5° |
| C8 | C7 | H1 | 109.2° | 110.5° |
| C7 | C8 | H2 | 108.5° | 109.8° |
| C7 | C6 | O2 | 110.0° | 110.9° |
| C6 | C7 | O1 | 112.8° | 110.5° |
| C6 | C7 | H1 | 109.2° | 110.5° |
| C7 | C6 | H7 | 110.3° | 110.9° |
| O2 | C6 | H7 | 112.1° | 110.8° |
| C6 | O2 | H11 | 109.5° | 114.0° |
| O1 | C7 | H1 | 110.8° | 110.4° |
| C7 | O1 | H5 | 109.5° | 114.0° |
| H3 | C9 | H4 | 109.5° | 109.5° |
| H12 | N7 | H13 | 109.4° | 119.9° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C12 | C11 | H18 | 120.4° | 120.0° |
| N4 | C12 | C11 | H19 | 120.4° | 120.0° |
| C12 | N4 | C13 | N5 | 22.9° | 180.0° |
| C12 | N4 | C13 | H10 | 180.0° | 180.0° |
| C12 | N4 | C13 | N6 | 159.1° | 0.1° |
| N4 | C12 | C11 | C10 | 63.4° | 180.0° |
| N4 | C12 | C11 | H16 | 57.1° | 60.0° |
| N4 | C12 | C11 | H17 | 176.1° | 60.0° |
| N4 | C12 | H18 | H19 | 118.8° | 119.9° |
| C11 | C12 | N4 | C13 | 130.1° | 180.0° |
| C12 | C11 | C10 | H16 | 120.5° | 120.0° |
| C12 | C11 | C10 | H17 | 120.5° | 120.0° |
| C12 | C11 | C10 | S | 177.3° | 180.0° |
| C11 | C12 | N4 | H10 | 49.9° | 0.0° |
| C12 | C11 | C10 | H14 | 56.9° | 60.0° |
| C12 | C11 | C10 | H15 | 62.4° | 60.0° |
| C12 | C11 | H16 | H17 | 118.5° | 120.0° |
| C11 | C12 | H18 | H19 | 118.8° | 120.1° |
| N7 | C | C1 | N3 | 4.9° | 0.0° |
| N7 | C | C1 | N1 | 177.2° | 179.9° |
| N7 | C | C1 | C2 | 175.6° | 180.0° |
| N7 | C | N1 | C3 | 176.7° | 180.0° |
| C | N7 | H12 | H13 | 120.0° | 180.0° |
| C14 | N5 | C13 | H21 | 180.0° | 180.0° |
| C14 | N5 | C13 | N4 | 176.9° | 180.0° |
| N5 | C14 | C15 | H22 | 120.7° | 120.0° |
| N5 | C14 | C15 | H23 | 120.7° | 120.0° |
| C14 | N5 | C13 | N6 | 5.0° | 0.0° |
| N5 | C14 | C15 | C16 | 161.5° | 90.0° |
| N5 | C14 | C15 | C20 | 22.9° | 89.7° |
| N5 | C14 | H22 | H23 | 117.9° | 120.0° |
| N5 | C13 | N4 | N6 | 178.0° | 180.0° |
| C13 | N5 | C14 | C15 | 92.9° | 180.0° |
| N5 | C13 | N4 | H10 | 157.1° | 0.0° |
| N5 | C13 | N6 | H20 | 178.0° | 180.0° |
| C13 | N5 | C14 | H22 | 146.4° | 60.0° |
| C13 | N5 | C14 | H23 | 27.8° | 60.0° |
| C13 | N4 | C12 | H18 | 109.5° | 60.0° |
| C13 | N4 | C12 | H19 | 9.7° | 59.9° |
| N4 | C13 | N6 | H20 | 0.0° | 0.0° |
| N4 | C13 | N5 | H21 | 3.1° | 0.0° |
| C14 | C15 | C16 | C20 | 175.7° | 179.7° |
| C14 | C15 | C16 | C17 | 175.1° | 179.8° |
| C14 | C15 | C20 | C19 | 174.6° | 180.0° |
| C15 | C14 | N5 | H21 | 87.1° | 0.0° |
| C15 | C14 | H22 | H23 | 117.8° | 120.0° |
| C14 | C15 | C20 | H24 | 5.4° | 0.0° |
| C14 | C15 | C16 | H28 | 4.9° | 0.0° |
| N6 | C13 | N4 | H10 | 20.9° | 180.0° |
| N6 | C13 | N5 | H21 | 175.0° | 180.0° |
| C11 | C10 | S | H14 | 120.4° | 120.1° |
| C11 | C10 | S | H15 | 120.4° | 120.0° |
| C11 | C10 | S | C9 | 82.8° | 180.0° |
| C11 | C10 | H14 | H15 | 118.9° | 120.0° |
| C10 | C11 | H16 | H17 | 118.5° | 120.0° |
| C10 | C11 | C12 | H18 | 176.2° | 60.0° |
| C10 | C11 | C12 | H19 | 57.0° | 60.0° |
| N3 | C1 | C | C2 | 179.5° | 180.0° |
| N3 | C1 | C | N1 | 177.9° | 180.0° |
| C1 | N3 | C4 | N2 | 0.4° | 0.0° |
| N3 | C1 | C2 | N2 | 0.7° | 0.0° |
| N3 | C1 | C2 | N | 178.3° | 180.0° |
| C1 | N3 | C4 | H8 | 179.6° | 180.0° |
| C4 | N3 | C1 | C | 179.7° | 180.0° |
| C4 | N3 | C1 | C2 | 0.2° | 0.0° |
| N3 | C4 | N2 | H8 | 180.0° | 180.0° |
| N3 | C4 | N2 | C2 | 0.9° | 0.0° |
| N3 | C4 | N2 | C5 | 176.8° | 180.0° |
| C1 | C | N1 | C3 | 0.7° | 0.1° |
| C | C1 | C2 | N2 | 179.7° | 180.0° |
| C | C1 | C2 | N | 1.3° | 0.0° |
| C1 | C | N7 | H12 | 177.2° | 0.0° |
| C1 | C | N7 | H13 | 57.2° | 180.0° |
| N1 | C | C1 | C2 | 1.6° | 0.0° |
| C | N1 | C3 | N | 0.8° | 0.0° |
| C | N1 | C3 | H9 | 179.2° | 180.0° |
| N1 | C | N7 | H12 | 0.0° | 180.0° |
| N1 | C | N7 | H13 | 120.0° | 0.1° |
| C15 | C16 | C17 | H28 | 180.0° | 179.7° |
| C16 | C15 | C20 | C19 | 1.1° | 0.3° |
| C15 | C16 | C17 | C18 | 0.1° | 0.5° |
| C16 | C15 | C14 | H22 | 40.8° | 30.0° |
| C16 | C15 | C14 | H23 | 77.8° | 150.0° |
| C16 | C15 | C20 | H24 | 178.9° | 179.8° |
| C15 | C16 | C17 | H27 | 179.9° | 179.7° |
| C20 | C15 | C16 | C17 | 0.6° | 0.5° |
| C15 | C20 | C19 | H24 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.9° | 0.0° |
| C20 | C15 | C14 | H22 | 143.6° | 150.3° |
| C20 | C15 | C14 | H23 | 97.8° | 30.3° |
| C15 | C20 | C19 | H25 | 179.1° | 179.9° |
| C20 | C15 | C16 | H28 | 179.4° | 179.8° |
| C10 | S | C9 | C8 | 176.7° | 180.0° |
| C10 | S | C9 | H3 | 62.8° | 60.0° |
| C10 | S | C9 | H4 | 56.3° | 60.0° |
| S | C10 | H14 | H15 | 118.8° | 119.9° |
| S | C10 | C11 | H16 | 62.2° | 60.0° |
| S | C10 | C11 | H17 | 56.8° | 60.0° |
| C1 | C2 | N2 | C4 | 0.9° | 0.0° |
| C1 | C2 | N2 | N | 179.0° | 179.9° |
| C1 | C2 | N2 | C5 | 176.7° | 180.0° |
| C1 | C2 | N | C3 | 0.0° | 0.1° |
| C16 | C17 | C18 | H27 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | H26 | 179.7° | 179.8° |
| C4 | N2 | C2 | C5 | 177.6° | 180.0° |
| C4 | N2 | C2 | N | 178.1° | 180.0° |
| C4 | N2 | C5 | O | 63.3° | 19.1° |
| C4 | N2 | C5 | C6 | 54.8° | 95.0° |
| C4 | N2 | C5 | H6 | 176.8° | 142.1° |
| N1 | C3 | N | C2 | 1.1° | 0.0° |
| N1 | C3 | N | H9 | 180.0° | 180.0° |
| S | C9 | C8 | O | 61.9° | 67.1° |
| S | C9 | C8 | H3 | 120.4° | 120.0° |
| S | C9 | C8 | H4 | 120.4° | 120.0° |
| S | C9 | C8 | C7 | 57.4° | 175.0° |
| S | C9 | C8 | H2 | 178.5° | 54.0° |
| S | C9 | H3 | H4 | 118.6° | 120.0° |
| C9 | S | C10 | H14 | 156.9° | 60.0° |
| C9 | S | C10 | H15 | 37.6° | 60.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H25 | 180.0° | 180.0° |
| C20 | C19 | C18 | H26 | 179.8° | 179.9° |
| N2 | C2 | N | C3 | 178.7° | 180.0° |
| C2 | N2 | C5 | O | 113.8° | 160.9° |
| C2 | N2 | C5 | C6 | 128.0° | 85.0° |
| C2 | N2 | C5 | H6 | 6.0° | 37.8° |
| C2 | N2 | C4 | H8 | 179.1° | 180.0° |
| N | C2 | N2 | C5 | 4.3° | 0.1° |
| C2 | N | C3 | H9 | 178.9° | 179.9° |
| C17 | C18 | C19 | H26 | 180.0° | 179.9° |
| C17 | C18 | C19 | H25 | 179.8° | 179.9° |
| C18 | C17 | C16 | H28 | 179.9° | 179.8° |
| N2 | C5 | O | C6 | 123.9° | 118.5° |
| N2 | C5 | O | H6 | 119.5° | 123.0° |
| N2 | C5 | O | C8 | 157.1° | 158.5° |
| N2 | C5 | C6 | H6 | 122.4° | 122.8° |
| N2 | C5 | C6 | C7 | 155.7° | 155.6° |
| N2 | C5 | C6 | O2 | 86.9° | 86.2° |
| N2 | C5 | C6 | H7 | 38.4° | 37.4° |
| C5 | N2 | C4 | H8 | 3.2° | 0.1° |
| C5 | O | C8 | C9 | 140.0° | 145.9° |
| O | C5 | C6 | H6 | 117.6° | 118.6° |
| C5 | O | C8 | C7 | 16.6° | 26.4° |
| O | C5 | C6 | C7 | 35.8° | 37.0° |
| O | C5 | C6 | O2 | 153.2° | 155.2° |
| C5 | O | C8 | H2 | 101.0° | 93.0° |
| O | C5 | C6 | H7 | 81.6° | 81.2° |
| O | C8 | C9 | C7 | 119.3° | 117.9° |
| O | C8 | C9 | H2 | 119.6° | 121.2° |
| C8 | O | C5 | C6 | 33.2° | 40.0° |
| O | C8 | C7 | H2 | 118.4° | 119.4° |
| O | C8 | C7 | C6 | 6.3° | 2.0° |
| O | C8 | C7 | O1 | 115.0° | 120.7° |
| O | C8 | C7 | H1 | 122.8° | 116.8° |
| O | C8 | C9 | H3 | 177.6° | 172.9° |
| O | C8 | C9 | H4 | 58.5° | 52.9° |
| C8 | O | C5 | H6 | 83.5° | 78.5° |
| C9 | C8 | C7 | H2 | 121.3° | 121.0° |
| C9 | C8 | C7 | C6 | 114.0° | 121.5° |
| C9 | C8 | C7 | O1 | 124.6° | 119.7° |
| C9 | C8 | C7 | H1 | 2.4° | 2.8° |
| C8 | C9 | H3 | H4 | 118.7° | 120.0° |
| C18 | C19 | C20 | H24 | 179.1° | 180.0° |
| C19 | C18 | C17 | H27 | 179.7° | 180.0° |
| C5 | C6 | C7 | C8 | 24.7° | 21.0° |
| C5 | C6 | C7 | O2 | 118.4° | 118.2° |
| C5 | C6 | C7 | H7 | 117.5° | 118.2° |
| C5 | C6 | O2 | H7 | 124.4° | 123.6° |
| C5 | C6 | C7 | O1 | 95.3° | 97.8° |
| C5 | C6 | C7 | H1 | 141.1° | 139.7° |
| C5 | C6 | O2 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | O1 | 120.0° | 118.7° |
| C8 | C7 | C6 | H1 | 116.4° | 118.7° |
| C8 | C7 | C6 | O2 | 143.1° | 139.2° |
| C8 | C7 | O1 | H1 | 121.2° | 122.5° |
| C7 | C8 | C9 | H3 | 63.0° | 55.0° |
| C7 | C8 | C9 | H4 | 177.9° | 65.0° |
| C8 | C7 | O1 | H5 | 180.0° | 178.2° |
| C8 | C7 | C6 | H7 | 92.7° | 97.2° |
| C7 | C6 | O2 | H7 | 123.1° | 123.6° |
| C6 | C7 | O1 | H1 | 122.7° | 122.6° |
| C6 | C7 | C8 | H2 | 124.7° | 117.5° |
| C6 | C7 | O1 | H5 | 64.0° | 63.3° |
| C7 | C6 | C5 | H6 | 81.9° | 81.6° |
| C7 | C6 | O2 | H11 | 67.4° | 67.3° |
| O2 | C6 | C7 | O1 | 23.2° | 20.4° |
| O2 | C6 | C7 | H1 | 100.5° | 102.1° |
| O2 | C6 | C5 | H6 | 35.5° | 36.6° |
| O1 | C7 | C8 | H2 | 3.3° | 1.3° |
| O1 | C7 | C6 | H7 | 147.3° | 144.0° |
| H1 | C7 | C8 | H2 | 118.9° | 123.8° |
| H1 | C7 | O1 | H5 | 58.7° | 59.3° |
| H1 | C7 | C6 | H7 | 23.6° | 21.5° |
| H2 | C8 | C9 | H3 | 58.1° | 66.0° |
| H2 | C8 | C9 | H4 | 61.1° | 174.0° |
| H6 | C5 | C6 | H7 | 160.8° | 160.2° |
| H7 | C6 | O2 | H11 | 55.6° | 56.3° |
| H10 | N4 | C12 | H18 | 70.4° | 120.0° |
| H10 | N4 | C12 | H19 | 170.3° | 120.0° |
| H14 | C10 | C11 | H16 | 177.4° | NaN° |
| H14 | C10 | C11 | H17 | 63.6° | 60.0° |
| H15 | C10 | C11 | H16 | 58.1° | 60.0° |
| H15 | C10 | C11 | H17 | 177.1° | 180.0° |
| H16 | C11 | C12 | H18 | 63.3° | 60.0° |
| H16 | C11 | C12 | H19 | 177.5° | 180.0° |
| H17 | C11 | C12 | H18 | 55.7° | 180.0° |
| H17 | C11 | C12 | H19 | 63.5° | 60.0° |
| H21 | N5 | C14 | H22 | 33.6° | 120.0° |
| H21 | N5 | C14 | H23 | 152.2° | 120.0° |
| H24 | C20 | C19 | H25 | 0.9° | 0.0° |
| H25 | C19 | C18 | H26 | 0.2° | 0.0° |
| H26 | C18 | C17 | H27 | 0.3° | 0.1° |
| H27 | C17 | C16 | H28 | 0.1° | 0.0° |
