7Y5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | O5 | sing | 1.43Å | 1.43Å | |
| C16 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.51Å | |
| O5 | C26 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C25 | N6 | sing | 1.48Å | 1.46Å | |
| N5 | C15 | doub | 1.33Å | 1.36Å | Aromatic |
| N5 | C22 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C26 | C24 | sing | 1.55Å | 1.49Å | |
| N6 | C22 | sing | 1.39Å | 1.38Å | |
| N6 | C23 | sing | 1.47Å | 1.47Å | |
| C22 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C28 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.50Å | |
| N3 | C13 | sing | 1.35Å | 1.33Å | |
| N3 | C11 | sing | 1.47Å | 1.44Å | |
| C13 | O6 | doub | 1.22Å | 1.23Å | |
| O3 | P1 | doub | 1.48Å | 1.52Å | |
| O2 | P1 | sing | 1.61Å | 1.53Å | |
| O7 | C10 | doub | 1.21Å | 1.22Å | |
| C12 | P1 | sing | 1.82Å | 1.80Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| P1 | O4 | sing | 1.61Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| O1 | C5 | sing | 1.35Å | 1.34Å | |
| O1 | C4 | sing | 1.45Å | 1.45Å | |
| C5 | O8 | doub | 1.22Å | 1.21Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 120.4° | 120.1° |
| C18 | C19 | C20 | 119.7° | 120.2° |
| C19 | C18 | H31 | 119.8° | 120.0° |
| C18 | C19 | H32 | 120.2° | 119.9° |
| C18 | C17 | C16 | 121.0° | 119.8° |
| C18 | C17 | H10 | 119.5° | 120.0° |
| C17 | C18 | H31 | 119.8° | 119.9° |
| C19 | C20 | C21 | 120.5° | 120.2° |
| C19 | C20 | H11 | 119.8° | 119.9° |
| C20 | C19 | H32 | 120.1° | 119.9° |
| C17 | C16 | C21 | 117.6° | 119.8° |
| C17 | C16 | C15 | 121.5° | 120.1° |
| C16 | C17 | H10 | 119.6° | 120.1° |
| C20 | C21 | C16 | 120.8° | 119.9° |
| C21 | C20 | H11 | 119.8° | 119.9° |
| C20 | C21 | H12 | 119.6° | 120.1° |
| C27 | O5 | C26 | 113.4° | 114.0° |
| O5 | C27 | H37 | 109.5° | 109.5° |
| O5 | C27 | H38 | 109.5° | 109.4° |
| O5 | C27 | H39 | 109.5° | 109.4° |
| C21 | C16 | C15 | 120.9° | 120.1° |
| C16 | C21 | H12 | 119.6° | 120.1° |
| C16 | C15 | N5 | 117.9° | 119.0° |
| C16 | C15 | N4 | 117.2° | 119.1° |
| O5 | C26 | C25 | 113.9° | 111.0° |
| O5 | C26 | C24 | 118.1° | 111.0° |
| O5 | C26 | H15 | 108.3° | 110.8° |
| C26 | C25 | N6 | 102.1° | 104.8° |
| C25 | C26 | C24 | 101.2° | 101.6° |
| C25 | C26 | H15 | 107.2° | 111.0° |
| C26 | C25 | H35 | 111.3° | 110.4° |
| C26 | C25 | H36 | 111.3° | 110.4° |
| C25 | N6 | C22 | 123.7° | 111.0° |
| C25 | N6 | C23 | 109.5° | 108.6° |
| N6 | C25 | H35 | 111.3° | 110.4° |
| N6 | C25 | H36 | 111.3° | 110.4° |
| C15 | N5 | C22 | 116.4° | 120.8° |
| N5 | C15 | N4 | 124.9° | 121.8° |
| N5 | C22 | N6 | 116.6° | 120.4° |
| N5 | C22 | C28 | 122.2° | 119.1° |
| C15 | N4 | C14 | 116.5° | 120.9° |
| C26 | C24 | C23 | 103.5° | 103.0° |
| C26 | C24 | H13 | 110.9° | 110.7° |
| C26 | C24 | H14 | 111.0° | 110.8° |
| C24 | C26 | H15 | 107.5° | 111.0° |
| C22 | N6 | C23 | 123.0° | 111.0° |
| N6 | C22 | C28 | 121.2° | 120.5° |
| N6 | C23 | C24 | 103.8° | 107.2° |
| N6 | C23 | H33 | 110.9° | 109.9° |
| N6 | C23 | H34 | 110.9° | 109.9° |
| C22 | C28 | C14 | 116.8° | 118.3° |
| C22 | C28 | H16 | 121.6° | 120.8° |
| N4 | C14 | C28 | 123.2° | 119.1° |
| N4 | C14 | C13 | 118.7° | 120.5° |
| C23 | C24 | H13 | 110.9° | 110.7° |
| C23 | C24 | H14 | 110.9° | 110.7° |
| C24 | C23 | H33 | 110.9° | 109.9° |
| C24 | C23 | H34 | 110.9° | 109.8° |
| C28 | C14 | C13 | 118.0° | 120.5° |
| C14 | C28 | H16 | 121.6° | 120.8° |
| C14 | C13 | N3 | 116.4° | 120.0° |
| C14 | C13 | O6 | 121.2° | 120.0° |
| C13 | N3 | C11 | 119.2° | 120.0° |
| N3 | C13 | O6 | 122.4° | 120.0° |
| C13 | N3 | H1 | 120.4° | 120.0° |
| N3 | C11 | C12 | 107.5° | 109.5° |
| N3 | C11 | C10 | 114.3° | 109.5° |
| C11 | N3 | H1 | 120.4° | 120.0° |
| N3 | C11 | H26 | 108.8° | 109.5° |
| O3 | P1 | O2 | 111.6° | 109.5° |
| O3 | P1 | C12 | 107.0° | 109.5° |
| O3 | P1 | O4 | 111.9° | 109.4° |
| O2 | P1 | C12 | 107.2° | 109.5° |
| O2 | P1 | O4 | 112.0° | 109.4° |
| P1 | O2 | H29 | 109.5° | 114.0° |
| O7 | C10 | C11 | 119.8° | 120.0° |
| O7 | C10 | N2 | 121.7° | 120.0° |
| P1 | C12 | C11 | 113.7° | 109.5° |
| C12 | P1 | O4 | 106.7° | 109.5° |
| P1 | C12 | H27 | 108.4° | 109.5° |
| P1 | C12 | H28 | 108.4° | 109.5° |
| C12 | C11 | C10 | 110.6° | 109.4° |
| C12 | C11 | H26 | 107.7° | 109.5° |
| C11 | C12 | H27 | 108.4° | 109.4° |
| C11 | C12 | H28 | 108.4° | 109.4° |
| P1 | O4 | H30 | 109.5° | 114.0° |
| C11 | C10 | N2 | 118.5° | 120.0° |
| C10 | C11 | H26 | 107.7° | 109.5° |
| C10 | N2 | C7 | 119.9° | 120.6° |
| C10 | N2 | C9 | 122.5° | 120.7° |
| C7 | N2 | C9 | 111.2° | 118.7° |
| N2 | C7 | C6 | 110.0° | 108.6° |
| N2 | C7 | H6 | 109.3° | 109.6° |
| N2 | C7 | H7 | 109.3° | 109.7° |
| N2 | C9 | C8 | 110.2° | 108.6° |
| N2 | C9 | H24 | 109.3° | 109.7° |
| N2 | C9 | H25 | 109.3° | 109.6° |
| C7 | C6 | N1 | 111.9° | 108.7° |
| C7 | C6 | H4 | 108.9° | 109.6° |
| C7 | C6 | H5 | 108.9° | 109.7° |
| C6 | C7 | H6 | 109.4° | 109.7° |
| C6 | C7 | H7 | 109.3° | 109.6° |
| C9 | C8 | N1 | 111.8° | 108.7° |
| C9 | C8 | H8 | 108.9° | 109.6° |
| C9 | C8 | H9 | 108.9° | 109.8° |
| C8 | C9 | H24 | 109.3° | 109.7° |
| C8 | C9 | H25 | 109.3° | 109.6° |
| C6 | N1 | C8 | 114.4° | 118.8° |
| C6 | N1 | C5 | 123.5° | 120.6° |
| N1 | C6 | H4 | 108.8° | 109.6° |
| N1 | C6 | H5 | 108.8° | 109.7° |
| C8 | N1 | C5 | 122.1° | 120.6° |
| N1 | C8 | H8 | 108.9° | 109.6° |
| N1 | C8 | H9 | 108.9° | 109.6° |
| N1 | C5 | O1 | 111.7° | 120.0° |
| N1 | C5 | O8 | 123.9° | 120.0° |
| C5 | O1 | C4 | 115.9° | 117.1° |
| O1 | C5 | O8 | 124.4° | 119.9° |
| O1 | C4 | C3 | 105.4° | 109.5° |
| O1 | C4 | H2 | 110.5° | 109.4° |
| O1 | C4 | H3 | 110.5° | 109.4° |
| C1 | C2 | C3 | 107.8° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.4° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C1 | C2 | H20 | 109.9° | 109.5° |
| C1 | C2 | H21 | 109.8° | 109.5° |
| C2 | C3 | C4 | 112.6° | 109.5° |
| C3 | C2 | H20 | 109.9° | 109.4° |
| C3 | C2 | H21 | 109.9° | 109.5° |
| C2 | C3 | H22 | 108.7° | 109.5° |
| C2 | C3 | H23 | 108.7° | 109.4° |
| C3 | C4 | H2 | 110.5° | 109.5° |
| C3 | C4 | H3 | 110.5° | 109.5° |
| C4 | C3 | H22 | 108.7° | 109.5° |
| C4 | C3 | H23 | 108.7° | 109.5° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.6° |
| H6 | C7 | H7 | 109.5° | 109.6° |
| H8 | C8 | H9 | 109.5° | 109.6° |
| H13 | C24 | H14 | 109.4° | 110.7° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.6° |
| H27 | C12 | H28 | 109.5° | 109.4° |
| H33 | C23 | H34 | 109.5° | 110.1° |
| H35 | C25 | H36 | 109.5° | 110.4° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H37 | C27 | H39 | 109.4° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H31 | 180.0° | 180.0° |
| C18 | C19 | C20 | H32 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | C20 | C21 | 0.4° | 0.2° |
| C19 | C18 | C17 | H10 | 179.8° | 179.7° |
| C18 | C19 | C20 | H11 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C18 | C17 | C16 | H10 | 180.0° | 179.8° |
| C18 | C17 | C16 | C21 | 0.9° | 0.2° |
| C18 | C17 | C16 | C15 | 178.8° | 179.8° |
| C17 | C18 | C19 | H32 | 179.5° | 180.0° |
| C19 | C20 | C21 | H11 | 180.0° | 179.6° |
| C19 | C20 | C21 | C16 | 0.4° | 0.4° |
| C19 | C20 | C21 | H12 | 179.6° | 179.5° |
| C20 | C19 | C18 | H31 | 179.5° | 179.9° |
| C17 | C16 | C21 | C20 | 1.1° | 0.4° |
| C17 | C16 | C21 | C15 | 177.9° | 179.9° |
| C17 | C16 | C15 | N5 | 4.6° | 179.8° |
| C17 | C16 | C15 | N4 | 177.0° | 0.1° |
| C17 | C16 | C21 | H12 | 179.0° | 179.5° |
| C16 | C17 | C18 | H31 | 179.8° | 179.9° |
| C20 | C21 | C16 | H12 | 180.0° | 179.9° |
| C20 | C21 | C16 | C15 | 179.0° | 179.5° |
| C21 | C20 | C19 | H32 | 179.6° | 179.8° |
| C27 | O5 | C26 | C25 | 126.4° | 156.3° |
| C27 | O5 | C26 | C24 | 115.1° | 91.5° |
| C27 | O5 | C26 | H15 | 7.2° | 32.4° |
| O5 | C27 | H37 | H38 | 120.0° | 120.0° |
| O5 | C27 | H37 | H39 | 120.0° | 120.0° |
| O5 | C27 | H38 | H39 | 120.0° | 119.9° |
| C21 | C16 | C15 | N5 | 173.2° | 0.3° |
| C21 | C16 | C15 | N4 | 5.2° | 180.0° |
| C21 | C16 | C17 | H10 | 179.1° | 179.9° |
| C16 | C21 | C20 | H11 | 179.6° | 179.9° |
| C16 | C15 | N5 | N4 | 178.2° | 179.7° |
| C16 | C15 | N5 | C22 | 178.8° | 179.7° |
| C16 | C15 | N4 | C14 | 179.9° | 180.0° |
| C15 | C16 | C17 | H10 | 1.2° | 0.0° |
| C15 | C16 | C21 | H12 | 1.0° | 0.5° |
| O5 | C26 | C25 | C24 | 127.8° | 118.1° |
| O5 | C26 | C25 | H15 | 119.7° | 123.8° |
| O5 | C26 | C25 | N6 | 170.0° | 155.2° |
| O5 | C26 | C24 | H15 | 122.7° | 123.7° |
| O5 | C26 | C24 | C23 | 167.2° | 153.8° |
| O5 | C26 | C24 | H13 | 73.8° | 87.8° |
| O5 | C26 | C24 | H14 | 48.1° | 35.4° |
| O5 | C26 | C25 | H35 | 51.2° | 36.3° |
| O5 | C26 | C25 | H36 | 71.2° | 86.0° |
| C26 | O5 | C27 | H37 | 180.0° | 180.0° |
| C26 | O5 | C27 | H38 | 60.0° | 60.0° |
| C26 | O5 | C27 | H39 | 60.0° | 59.9° |
| C26 | C25 | N6 | H35 | 118.8° | 118.8° |
| C26 | C25 | N6 | H36 | 118.8° | 118.8° |
| C25 | C26 | C24 | H15 | 112.2° | 118.1° |
| C26 | C25 | N6 | C22 | 174.8° | 146.4° |
| C26 | C25 | N6 | C23 | 26.8° | 24.1° |
| C25 | C26 | C24 | C23 | 42.1° | 35.7° |
| C25 | C26 | C24 | H13 | 161.2° | 154.0° |
| C25 | C26 | C24 | H14 | 76.9° | 82.8° |
| C26 | C25 | H35 | H36 | 123.4° | 122.3° |
| C25 | N6 | C22 | N5 | 19.8° | 1.0° |
| N6 | C25 | C26 | C24 | 42.2° | 37.1° |
| C25 | N6 | C22 | C23 | 155.6° | 120.9° |
| C25 | N6 | C22 | C28 | 159.7° | 179.3° |
| C25 | N6 | C23 | C24 | 0.8° | 1.0° |
| N6 | C25 | C26 | H15 | 70.3° | 81.0° |
| C25 | N6 | C23 | H33 | 118.3° | 120.4° |
| C25 | N6 | C23 | H34 | 119.9° | 118.4° |
| N6 | C25 | H35 | H36 | 123.4° | 122.3° |
| C15 | N5 | C22 | N6 | 179.4° | 179.7° |
| C15 | N5 | C22 | C28 | 0.1° | 0.0° |
| N5 | C15 | N4 | C14 | 1.7° | 0.3° |
| C22 | N5 | C15 | N4 | 0.6° | 0.0° |
| N5 | C22 | N6 | C28 | 179.5° | 179.7° |
| N5 | C22 | N6 | C23 | 175.4° | 119.9° |
| N5 | C22 | C28 | C14 | 0.5° | 0.3° |
| N5 | C22 | C28 | H16 | 179.5° | 180.0° |
| C15 | N4 | C14 | C28 | 2.2° | 0.6° |
| C15 | N4 | C14 | C13 | 179.2° | 180.0° |
| C26 | C24 | C23 | N6 | 26.1° | 22.3° |
| C26 | C24 | C23 | H13 | 119.1° | 118.3° |
| C26 | C24 | C23 | H14 | 119.1° | 118.5° |
| C26 | C24 | H13 | H14 | 122.8° | 123.3° |
| C26 | C24 | C23 | H33 | 145.2° | 97.1° |
| C26 | C24 | C23 | H34 | 93.0° | 141.7° |
| C24 | C26 | C25 | H35 | 76.6° | 81.8° |
| C24 | C26 | C25 | H36 | 161.0° | 155.9° |
| C22 | N6 | C23 | C24 | 159.5° | 123.3° |
| N6 | C22 | C28 | C14 | 179.9° | 180.0° |
| N6 | C22 | C28 | H16 | 0.1° | 0.3° |
| C22 | N6 | C23 | H33 | 40.4° | 117.3° |
| C22 | N6 | C23 | H34 | 81.4° | 3.9° |
| C22 | N6 | C25 | H35 | 66.4° | 27.6° |
| C22 | N6 | C25 | H36 | 56.0° | 94.8° |
| C23 | N6 | C22 | C28 | 4.1° | 59.8° |
| N6 | C23 | C24 | H33 | 119.1° | 119.4° |
| N6 | C23 | C24 | H34 | 119.1° | 119.4° |
| N6 | C23 | C24 | H13 | 145.1° | 140.7° |
| N6 | C23 | C24 | H14 | 93.0° | 96.2° |
| N6 | C23 | H33 | H34 | 122.6° | 121.2° |
| C23 | N6 | C25 | H35 | 92.1° | 94.7° |
| C23 | N6 | C25 | H36 | 145.6° | 142.9° |
| C22 | C28 | C14 | N4 | 1.7° | 0.6° |
| C22 | C28 | C14 | H16 | 180.0° | 179.7° |
| C22 | C28 | C14 | C13 | 178.6° | 180.0° |
| N4 | C14 | C28 | C13 | 177.0° | 179.5° |
| N4 | C14 | C13 | N3 | 5.4° | 0.5° |
| N4 | C14 | C13 | O6 | 172.5° | 179.5° |
| N4 | C14 | C28 | H16 | 178.3° | 179.7° |
| C23 | C24 | H13 | H14 | 122.7° | 123.1° |
| C23 | C24 | C26 | H15 | 70.1° | 82.5° |
| C24 | C23 | H33 | H34 | 122.6° | 121.1° |
| C28 | C14 | C13 | N3 | 177.5° | 180.0° |
| C28 | C14 | C13 | O6 | 4.6° | 0.0° |
| C14 | C13 | N3 | O6 | 177.9° | 180.0° |
| C14 | C13 | N3 | C11 | 176.9° | 174.8° |
| C14 | C13 | N3 | H1 | 3.1° | 5.2° |
| C13 | C14 | C28 | H16 | 1.3° | 0.2° |
| C13 | N3 | C11 | H1 | 180.0° | 180.0° |
| C13 | N3 | C11 | C12 | 114.9° | 87.5° |
| C13 | N3 | C11 | C10 | 121.9° | 152.5° |
| C13 | N3 | C11 | H26 | 1.4° | 32.5° |
| C11 | N3 | C13 | O6 | 1.0° | 5.1° |
| N3 | C11 | C10 | O7 | 1.2° | 16.3° |
| N3 | C11 | C12 | P1 | 73.5° | 65.7° |
| N3 | C11 | C12 | C10 | 125.5° | 120.0° |
| N3 | C11 | C12 | H26 | 117.1° | 120.0° |
| N3 | C11 | C10 | H26 | 121.0° | 120.0° |
| N3 | C11 | C10 | N2 | 178.8° | 163.6° |
| N3 | C11 | C12 | H27 | 165.9° | 174.3° |
| N3 | C11 | C12 | H28 | 47.1° | 54.4° |
| O6 | C13 | N3 | H1 | 179.0° | 174.8° |
| O3 | P1 | O2 | C12 | 116.9° | 120.1° |
| O3 | P1 | O2 | O4 | 126.4° | 120.0° |
| O3 | P1 | C12 | O4 | 120.0° | 120.0° |
| O3 | P1 | C12 | C11 | 48.8° | 59.6° |
| O3 | P1 | C12 | H27 | 169.4° | 60.4° |
| O3 | P1 | C12 | H28 | 71.9° | 179.6° |
| O3 | P1 | O2 | H29 | 0.0° | 180.0° |
| O3 | P1 | O4 | H30 | 0.0° | 60.0° |
| O2 | P1 | C12 | O4 | 120.2° | 120.0° |
| O2 | P1 | C12 | C11 | 168.6° | 60.5° |
| O2 | P1 | C12 | H27 | 70.8° | 179.6° |
| O2 | P1 | C12 | H28 | 48.0° | 59.5° |
| O2 | P1 | O4 | H30 | 126.3° | 60.0° |
| O7 | C10 | C11 | C12 | 122.7° | 103.6° |
| O7 | C10 | C11 | N2 | 179.9° | 180.0° |
| O7 | C10 | N2 | C7 | 35.4° | 5.2° |
| O7 | C10 | N2 | C9 | 175.0° | 174.4° |
| O7 | C10 | C11 | H26 | 119.8° | 136.3° |
| P1 | C12 | C11 | H27 | 120.6° | 120.1° |
| P1 | C12 | C11 | H28 | 120.6° | 120.0° |
| P1 | C12 | C11 | C10 | 161.1° | 54.3° |
| P1 | C12 | C11 | H26 | 43.6° | 174.3° |
| P1 | C12 | H27 | H28 | 118.1° | 120.1° |
| C12 | P1 | O2 | H29 | 116.9° | 60.0° |
| C12 | P1 | O4 | H30 | 116.7° | 180.0° |
| C11 | C12 | P1 | O4 | 71.2° | 179.6° |
| C12 | C11 | C10 | H26 | 117.5° | 120.0° |
| C12 | C11 | C10 | N2 | 57.2° | 76.4° |
| C12 | C11 | N3 | H1 | 65.1° | 92.5° |
| C11 | C12 | H27 | H28 | 118.1° | 119.9° |
| O4 | P1 | C12 | H27 | 49.4° | 59.6° |
| O4 | P1 | C12 | H28 | 168.2° | 60.4° |
| O4 | P1 | O2 | H29 | 126.4° | 60.0° |
| C11 | C10 | N2 | C7 | 144.5° | 174.8° |
| C11 | C10 | N2 | C9 | 5.0° | 5.6° |
| C10 | C11 | N3 | H1 | 58.1° | 27.5° |
| C10 | C11 | C12 | H27 | 40.4° | 65.8° |
| C10 | C11 | C12 | H28 | 78.3° | 174.3° |
| C10 | N2 | C7 | C9 | 152.7° | 179.6° |
| C10 | N2 | C7 | C6 | 147.7° | 124.9° |
| C10 | N2 | C9 | C8 | 148.2° | 124.8° |
| C10 | N2 | C7 | H6 | 92.3° | 5.0° |
| C10 | N2 | C7 | H7 | 27.6° | 115.3° |
| C10 | N2 | C9 | H24 | 28.1° | 115.4° |
| C10 | N2 | C9 | H25 | 91.7° | 5.0° |
| N2 | C10 | C11 | H26 | 60.2° | 43.6° |
| N2 | C7 | C6 | H6 | 120.1° | 119.8° |
| N2 | C7 | C6 | H7 | 120.1° | 119.9° |
| C7 | N2 | C9 | C8 | 59.9° | 55.6° |
| N2 | C7 | C6 | N1 | 53.3° | 49.4° |
| N2 | C7 | C6 | H4 | 173.7° | 70.3° |
| N2 | C7 | C6 | H5 | 67.0° | 169.3° |
| N2 | C7 | H6 | H7 | 119.8° | 120.5° |
| C7 | N2 | C9 | H24 | 179.9° | 64.3° |
| C7 | N2 | C9 | H25 | 60.2° | 175.3° |
| C9 | N2 | C7 | C6 | 59.7° | 55.5° |
| N2 | C9 | C8 | H24 | 120.1° | 119.9° |
| N2 | C9 | C8 | H25 | 120.1° | 119.8° |
| N2 | C9 | C8 | N1 | 53.5° | 49.5° |
| C9 | N2 | C7 | H6 | 60.4° | 175.3° |
| C9 | N2 | C7 | H7 | 179.7° | 64.3° |
| N2 | C9 | C8 | H8 | 66.8° | 169.3° |
| N2 | C9 | C8 | H9 | 173.8° | 70.3° |
| N2 | C9 | H24 | H25 | 119.7° | 120.4° |
| C7 | C6 | N1 | H4 | 120.4° | 119.7° |
| C7 | C6 | N1 | H5 | 120.4° | 119.9° |
| C7 | C6 | N1 | C8 | 49.1° | 54.9° |
| C7 | C6 | N1 | C5 | 133.0° | 124.7° |
| C7 | C6 | H4 | H5 | 118.9° | 120.4° |
| C6 | C7 | H6 | H7 | 119.8° | 120.4° |
| C9 | C8 | N1 | C6 | 49.1° | 55.0° |
| C9 | C8 | N1 | H8 | 120.3° | 119.7° |
| C9 | C8 | N1 | H9 | 120.3° | 120.0° |
| C9 | C8 | N1 | C5 | 132.9° | 124.7° |
| C9 | C8 | H8 | H9 | 118.9° | 120.5° |
| C8 | C9 | H24 | H25 | 119.6° | 120.4° |
| C6 | N1 | C8 | C5 | 178.0° | 179.7° |
| C6 | N1 | C5 | O1 | 1.3° | 180.0° |
| C6 | N1 | C5 | O8 | 179.3° | 0.0° |
| N1 | C6 | H4 | H5 | 118.9° | 120.4° |
| N1 | C6 | C7 | H6 | 66.8° | 169.2° |
| N1 | C6 | C7 | H7 | 173.4° | 70.5° |
| C6 | N1 | C8 | H8 | 71.2° | 174.7° |
| C6 | N1 | C8 | H9 | 169.4° | 65.0° |
| C8 | N1 | C5 | O1 | 179.1° | 0.3° |
| C8 | N1 | C5 | O8 | 1.5° | 179.7° |
| C8 | N1 | C6 | H4 | 169.4° | 64.8° |
| C8 | N1 | C6 | H5 | 71.3° | 174.8° |
| N1 | C8 | H8 | H9 | 119.0° | 120.3° |
| N1 | C8 | C9 | H24 | 173.6° | 70.3° |
| N1 | C8 | C9 | H25 | 66.6° | 169.3° |
| N1 | C5 | O1 | O8 | 179.4° | 180.0° |
| N1 | C5 | O1 | C4 | 156.3° | 180.0° |
| C5 | N1 | C6 | H4 | 12.6° | 115.6° |
| C5 | N1 | C6 | H5 | 106.7° | 4.8° |
| C5 | N1 | C8 | H8 | 106.8° | 4.9° |
| C5 | N1 | C8 | H9 | 12.6° | 115.4° |
| C5 | O1 | C4 | C3 | 124.1° | 180.0° |
| C5 | O1 | C4 | H2 | 4.7° | 60.0° |
| C5 | O1 | C4 | H3 | 116.6° | 60.0° |
| C4 | O1 | C5 | O8 | 24.3° | 0.0° |
| O1 | C4 | C3 | C2 | 81.0° | 180.0° |
| O1 | C4 | C3 | H2 | 119.3° | 120.0° |
| O1 | C4 | C3 | H3 | 119.4° | 120.0° |
| O1 | C4 | H2 | H3 | 121.9° | 119.9° |
| O1 | C4 | C3 | H22 | 158.5° | 60.0° |
| O1 | C4 | C3 | H23 | 39.5° | 60.0° |
| C1 | C2 | C3 | H20 | 119.7° | 120.0° |
| C1 | C2 | C3 | H21 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C1 | C2 | H20 | H21 | 120.7° | 120.0° |
| C1 | C2 | C3 | H22 | 59.8° | 60.0° |
| C1 | C2 | C3 | H23 | 59.3° | 60.0° |
| C2 | C3 | C4 | H22 | 120.5° | 120.0° |
| C2 | C3 | C4 | H23 | 120.5° | 120.0° |
| C2 | C3 | C4 | H2 | 159.6° | 60.0° |
| C2 | C3 | C4 | H3 | 38.4° | 60.0° |
| C3 | C2 | C1 | H17 | 180.0° | 60.0° |
| C3 | C2 | C1 | H18 | 60.0° | 60.0° |
| C3 | C2 | C1 | H19 | 60.0° | 180.0° |
| C3 | C2 | H20 | H21 | 120.8° | 120.0° |
| C2 | C3 | H22 | H23 | 118.6° | 120.0° |
| C3 | C4 | H2 | H3 | 121.9° | 120.1° |
| C4 | C3 | C2 | H20 | 60.0° | 60.0° |
| C4 | C3 | C2 | H21 | 60.5° | 60.0° |
| C4 | C3 | H22 | H23 | 118.6° | 120.0° |
| H1 | N3 | C11 | H26 | 178.6° | 147.5° |
| H2 | C4 | C3 | H22 | 39.2° | 60.0° |
| H2 | C4 | C3 | H23 | 79.9° | 180.0° |
| H3 | C4 | C3 | H22 | 82.1° | 180.0° |
| H3 | C4 | C3 | H23 | 158.8° | 60.0° |
| H4 | C6 | C7 | H6 | 53.6° | 49.5° |
| H4 | C6 | C7 | H7 | 66.3° | 169.8° |
| H5 | C6 | C7 | H6 | 172.9° | 71.0° |
| H5 | C6 | C7 | H7 | 53.0° | 49.4° |
| H8 | C8 | C9 | H24 | 53.2° | 49.5° |
| H8 | C8 | C9 | H25 | 173.0° | 70.9° |
| H9 | C8 | C9 | H24 | 66.1° | 169.9° |
| H9 | C8 | C9 | H25 | 53.7° | 49.5° |
| H10 | C17 | C18 | H31 | 0.2° | 0.3° |
| H11 | C20 | C21 | H12 | 0.4° | 0.0° |
| H11 | C20 | C19 | H32 | 0.4° | 0.2° |
| H13 | C24 | C26 | H15 | 49.0° | 35.9° |
| H13 | C24 | C23 | H33 | 95.8° | 21.3° |
| H13 | C24 | C23 | H34 | 26.0° | 100.0° |
| H14 | C24 | C26 | H15 | 170.9° | 159.1° |
| H14 | C24 | C23 | H33 | 26.1° | 144.4° |
| H14 | C24 | C23 | H34 | 147.9° | 23.2° |
| H15 | C26 | C25 | H35 | 170.9° | 160.1° |
| H15 | C26 | C25 | H36 | 48.5° | 37.8° |
| H17 | C1 | H18 | H19 | 120.0° | 120.0° |
| H17 | C1 | C2 | H20 | 60.3° | 60.0° |
| H17 | C1 | C2 | H21 | 60.3° | NaN° |
| H18 | C1 | C2 | H20 | 59.7° | 180.0° |
| H18 | C1 | C2 | H21 | 179.7° | 60.0° |
| H19 | C1 | C2 | H20 | 179.7° | 60.1° |
| H19 | C1 | C2 | H21 | 59.7° | 60.0° |
| H20 | C2 | C3 | H22 | 179.5° | 60.0° |
| H20 | C2 | C3 | H23 | 60.4° | 180.0° |
| H21 | C2 | C3 | H22 | 59.9° | 180.0° |
| H21 | C2 | C3 | H23 | 179.0° | 60.0° |
| H26 | C11 | C12 | H27 | 77.1° | 54.3° |
| H26 | C11 | C12 | H28 | 164.2° | 65.6° |
| H31 | C18 | C19 | H32 | 0.5° | 0.0° |
| H37 | C27 | H38 | H39 | 120.0° | 120.1° |
