Q9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.38Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | S1 | sing | 1.81Å | 1.86Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| S1 | C9 | sing | 1.81Å | 1.80Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.34Å | Aromatic |
| C13 | O6 | sing | 1.36Å | 1.35Å | |
| O6 | C16 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.43Å | Aromatic |
| N1 | N2 | doub | 1.29Å | 1.38Å | Aromatic |
| C18 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| N3 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C7 | C19 | sing | 1.53Å | 21.69Å | |
| O1 | C7 | sing | 1.43Å | 0.00Å | |
| O1 | C20 | sing | 1.43Å | 0.00Å | |
| C21 | C20 | sing | 1.53Å | 0.00Å | |
| O7 | C21 | sing | 1.43Å | 0.00Å | |
| C23 | C22 | sing | 1.53Å | 0.00Å | |
| C23 | O7 | sing | 1.43Å | 0.00Å | |
| O8 | C22 | sing | 1.43Å | 0.00Å | |
| C25 | O8 | sing | 1.43Å | 0.00Å | |
| C25 | C26 | sing | 1.53Å | 0.00Å | |
| O9 | C26 | sing | 1.43Å | 0.00Å | |
| C7 | H3 | sing | 1.09Å | 0.00Å | |
| C7 | H24 | sing | 1.09Å | 0.00Å | |
| C20 | H25 | sing | 1.09Å | 0.00Å | |
| C20 | H26 | sing | 1.09Å | 0.00Å | |
| C21 | H27 | sing | 1.09Å | 0.00Å | |
| C21 | H28 | sing | 1.09Å | 0.00Å | |
| C22 | H29 | sing | 1.09Å | 0.00Å | |
| C22 | H30 | sing | 1.09Å | 0.00Å | |
| C23 | H31 | sing | 1.09Å | 0.00Å | |
| C23 | H32 | sing | 1.09Å | 0.00Å | |
| C25 | H33 | sing | 1.09Å | 0.00Å | |
| C25 | H34 | sing | 1.09Å | 0.00Å | |
| C26 | H35 | sing | 1.09Å | 0.00Å | |
| C26 | H36 | sing | 1.09Å | 0.00Å | |
| O9 | H37 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 109.7° | 109.5° |
| O3 | C3 | C4 | 112.7° | 109.5° |
| O3 | C3 | H20 | 108.9° | 109.7° |
| C3 | O3 | H21 | 109.5° | 113.9° |
| O2 | C2 | C3 | 109.6° | 109.5° |
| O2 | C2 | C1 | 110.9° | 109.5° |
| O2 | C2 | H22 | 107.7° | 109.6° |
| C2 | O2 | H23 | 109.5° | 114.0° |
| C2 | C3 | C4 | 111.0° | 109.0° |
| C3 | C2 | C1 | 114.6° | 109.2° |
| C2 | C3 | H20 | 107.3° | 109.5° |
| C3 | C2 | H22 | 106.8° | 109.5° |
| C3 | C4 | O4 | 113.5° | 109.5° |
| C3 | C4 | C5 | 106.8° | 109.2° |
| C3 | C4 | H18 | 110.3° | 109.5° |
| C4 | C3 | H20 | 107.1° | 109.6° |
| C2 | C1 | S1 | 112.7° | 109.5° |
| C2 | C1 | O5 | 110.3° | 109.4° |
| C2 | C1 | H13 | 108.1° | 109.5° |
| C1 | C2 | H22 | 106.9° | 109.5° |
| O4 | C4 | C5 | 104.0° | 109.5° |
| O4 | C4 | H18 | 111.6° | 109.5° |
| C4 | O4 | H19 | 109.5° | 114.0° |
| C4 | C5 | O5 | 114.7° | 109.4° |
| C4 | C5 | C6 | 115.5° | 109.5° |
| C4 | C5 | H14 | 106.5° | 109.5° |
| C5 | C4 | H18 | 110.5° | 109.6° |
| S1 | C1 | O5 | 112.0° | 109.5° |
| C1 | S1 | C9 | 99.6° | 103.0° |
| S1 | C1 | H13 | 104.4° | 109.5° |
| C1 | O5 | C5 | 113.8° | 114.1° |
| O5 | C1 | H13 | 109.0° | 109.4° |
| S1 | C9 | C10 | 119.6° | 109.5° |
| S1 | C9 | H11 | 106.9° | 109.4° |
| S1 | C9 | H12 | 106.9° | 109.5° |
| O5 | C5 | C6 | 104.8° | 109.5° |
| O5 | C5 | H14 | 107.8° | 109.5° |
| C6 | C5 | H14 | 107.0° | 109.5° |
| C5 | C6 | H15 | 109.5° | 109.5° |
| C5 | C6 | H16 | 109.4° | 109.4° |
| C5 | C6 | H17 | 109.4° | 109.5° |
| C9 | C10 | C15 | 126.9° | 119.9° |
| C9 | C10 | C11 | 115.2° | 120.0° |
| C10 | C9 | H11 | 106.9° | 109.5° |
| C10 | C9 | H12 | 106.9° | 109.5° |
| C15 | C10 | C11 | 117.9° | 120.1° |
| C10 | C15 | C14 | 118.1° | 120.0° |
| C10 | C15 | H10 | 121.0° | 120.0° |
| C10 | C11 | C12 | 124.3° | 120.1° |
| C10 | C11 | H8 | 117.8° | 120.0° |
| C15 | C14 | C13 | 122.0° | 120.0° |
| C15 | C14 | H9 | 119.0° | 120.0° |
| C14 | C15 | H10 | 121.0° | 120.0° |
| C11 | C12 | C13 | 118.3° | 119.9° |
| C11 | C12 | H7 | 120.8° | 120.0° |
| C12 | C11 | H8 | 117.8° | 120.0° |
| C14 | C13 | C12 | 119.4° | 119.9° |
| C14 | C13 | O6 | 125.2° | 120.0° |
| C13 | C14 | H9 | 119.0° | 120.1° |
| C12 | C13 | O6 | 115.4° | 120.1° |
| C13 | C12 | H7 | 120.9° | 120.0° |
| C13 | O6 | C16 | 121.6° | 117.0° |
| O6 | C16 | C17 | 106.5° | 109.5° |
| O6 | C16 | H5 | 110.2° | 109.5° |
| O6 | C16 | H6 | 110.2° | 109.5° |
| C16 | C17 | N1 | 121.1° | 126.7° |
| C16 | C17 | C18 | 130.3° | 126.8° |
| C17 | C16 | H5 | 110.2° | 109.5° |
| C17 | C16 | H6 | 110.2° | 109.5° |
| N1 | C17 | C18 | 108.6° | 106.5° |
| C17 | N1 | N2 | 103.7° | 108.9° |
| C17 | C18 | N3 | 108.9° | 106.2° |
| C17 | C18 | H4 | 125.6° | 126.9° |
| N1 | N2 | N3 | 114.3° | 110.2° |
| C18 | N3 | N2 | 104.4° | 108.2° |
| C18 | N3 | C19 | 139.1° | 125.9° |
| N3 | C18 | H4 | 125.6° | 126.9° |
| N2 | N3 | C19 | 116.4° | 125.9° |
| N3 | C19 | H1 | 120.0° | 109.4° |
| N3 | C19 | H2 | 120.0° | 109.5° |
| N3 | C19 | C7 | 59.8° | 109.5° |
| H1 | C19 | H2 | 109.5° | 109.5° |
| H1 | C19 | C7 | 120.0° | 109.5° |
| H2 | C19 | C7 | 120.0° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H15 | C6 | H16 | 109.5° | 109.5° |
| H15 | C6 | H17 | 109.5° | 109.5° |
| H16 | C6 | H17 | 109.5° | 109.5° |
| C19 | C7 | O1 | 90.0° | 109.5° |
| C19 | C7 | H3 | 90.0° | 109.4° |
| C19 | C7 | H24 | 90.0° | 109.5° |
| C7 | O1 | C20 | 90.0° | 114.0° |
| O1 | C7 | H3 | 90.0° | 109.5° |
| O1 | C7 | H24 | 90.0° | 109.5° |
| O1 | C20 | C21 | 90.0° | 109.5° |
| O1 | C20 | H25 | 90.0° | 109.4° |
| O1 | C20 | H26 | 90.0° | 109.5° |
| C20 | C21 | O7 | 90.0° | 109.5° |
| C21 | C20 | H25 | 90.0° | 109.4° |
| C21 | C20 | H26 | 90.0° | 109.5° |
| C20 | C21 | H27 | 90.0° | 109.5° |
| C20 | C21 | H28 | 90.0° | 109.5° |
| C21 | O7 | C23 | 90.0° | 114.0° |
| O7 | C21 | H27 | 90.0° | 109.5° |
| O7 | C21 | H28 | 90.0° | 109.5° |
| C22 | C23 | O7 | 90.0° | 109.5° |
| C23 | C22 | O8 | 90.0° | 109.5° |
| C23 | C22 | H29 | 90.0° | 109.4° |
| C23 | C22 | H30 | 90.0° | 109.4° |
| C22 | C23 | H31 | 90.0° | 109.4° |
| C22 | C23 | H32 | 90.0° | 109.5° |
| O7 | C23 | H31 | 90.0° | 109.5° |
| O7 | C23 | H32 | 90.0° | 109.5° |
| C22 | O8 | C25 | 90.0° | 114.0° |
| O8 | C22 | H29 | 90.0° | 109.5° |
| O8 | C22 | H30 | 90.0° | 109.5° |
| O8 | C25 | C26 | 90.0° | 109.5° |
| O8 | C25 | H33 | 90.0° | 109.4° |
| O8 | C25 | H34 | 90.0° | 109.4° |
| C25 | C26 | O9 | 90.0° | 109.5° |
| C26 | C25 | H33 | 90.0° | 109.5° |
| C26 | C25 | H34 | 90.0° | 109.5° |
| C25 | C26 | H35 | 90.0° | 109.4° |
| C25 | C26 | H36 | 90.0° | 109.4° |
| O9 | C26 | H35 | 90.0° | 109.5° |
| O9 | C26 | H36 | 90.0° | 109.5° |
| C26 | O9 | H37 | 90.0° | 113.9° |
| H3 | C7 | H24 | 90.0° | 109.4° |
| H25 | C20 | H26 | 90.0° | 109.4° |
| H27 | C21 | H28 | 90.0° | 109.4° |
| H29 | C22 | H30 | 90.0° | 109.5° |
| H31 | C23 | H32 | 90.0° | 109.5° |
| H33 | C25 | H34 | 90.0° | 109.5° |
| H35 | C26 | H36 | 90.0° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | O2 | 57.9° | 177.2° |
| O3 | C3 | C2 | C4 | 125.1° | 119.8° |
| O3 | C3 | C2 | H20 | 118.2° | 120.3° |
| O3 | C3 | C4 | H20 | 119.8° | 120.3° |
| O3 | C3 | C2 | C1 | 176.6° | 62.8° |
| O3 | C3 | C4 | O4 | 60.1° | 57.1° |
| O3 | C3 | C4 | C5 | 174.0° | 62.8° |
| O3 | C3 | C4 | H18 | 65.9° | 177.2° |
| O3 | C3 | C2 | H22 | 58.4° | 57.1° |
| O2 | C2 | C3 | C1 | 125.5° | 119.9° |
| O2 | C2 | C3 | H22 | 116.3° | 120.1° |
| O2 | C2 | C3 | C4 | 176.9° | 63.0° |
| O2 | C2 | C1 | H22 | 117.1° | 120.2° |
| O2 | C2 | C1 | S1 | 49.4° | 57.7° |
| O2 | C2 | C1 | O5 | 175.5° | 62.3° |
| O2 | C2 | C1 | H13 | 65.4° | 177.7° |
| O2 | C2 | C3 | H20 | 60.3° | 56.9° |
| C2 | C3 | C4 | H20 | 116.8° | 119.9° |
| C3 | C2 | C1 | H22 | 118.1° | 119.9° |
| C2 | C3 | C4 | O4 | 63.4° | 176.9° |
| C2 | C3 | C4 | C5 | 50.6° | 57.0° |
| C3 | C2 | C1 | S1 | 75.3° | 177.6° |
| C3 | C2 | C1 | O5 | 50.7° | 57.6° |
| C3 | C2 | C1 | H13 | 169.8° | 62.3° |
| C2 | C3 | C4 | H18 | 170.6° | 63.0° |
| C2 | C3 | O3 | H21 | 180.0° | 60.1° |
| C3 | C2 | O2 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 51.5° | 57.0° |
| C3 | C4 | O4 | C5 | 115.6° | 119.7° |
| C3 | C4 | O4 | H18 | 125.3° | 120.1° |
| C3 | C4 | C5 | H18 | 119.9° | 119.9° |
| C3 | C4 | C5 | O5 | 55.8° | 57.6° |
| C3 | C4 | C5 | C6 | 178.0° | 62.3° |
| C3 | C4 | C5 | H14 | 63.3° | 177.6° |
| C3 | C4 | O4 | H19 | 180.0° | 179.7° |
| C4 | C3 | O3 | H21 | 55.8° | 179.6° |
| C4 | C3 | C2 | H22 | 66.7° | 176.9° |
| C2 | C1 | S1 | O5 | 125.1° | 119.9° |
| C2 | C1 | S1 | H13 | 117.1° | 120.1° |
| C2 | C1 | O5 | H13 | 118.5° | 120.0° |
| C2 | C1 | S1 | C9 | 150.1° | 175.0° |
| C2 | C1 | O5 | C5 | 53.4° | 61.1° |
| C1 | C2 | C3 | H20 | 65.2° | 176.8° |
| C1 | C2 | O2 | H23 | 52.4° | 60.3° |
| O4 | C4 | C5 | H18 | 119.8° | 120.1° |
| O4 | C4 | C5 | O5 | 64.4° | 177.5° |
| O4 | C4 | C5 | C6 | 57.7° | 57.6° |
| O4 | C4 | C5 | H14 | 176.4° | 62.5° |
| O4 | C4 | C3 | H20 | 179.8° | 63.2° |
| C4 | C5 | O5 | C1 | 59.3° | 61.1° |
| C4 | C5 | O5 | C6 | 127.8° | 120.0° |
| C4 | C5 | O5 | H14 | 118.4° | 120.0° |
| C4 | C5 | C6 | H14 | 118.4° | 120.0° |
| C4 | C5 | C6 | H15 | 180.0° | 69.2° |
| C4 | C5 | C6 | H16 | 60.0° | 50.8° |
| C4 | C5 | C6 | H17 | 60.0° | 170.8° |
| C5 | C4 | O4 | H19 | 64.4° | 60.0° |
| C5 | C4 | C3 | H20 | 66.2° | 176.8° |
| S1 | C1 | O5 | H13 | 115.0° | 120.0° |
| S1 | C1 | O5 | C5 | 73.0° | 178.9° |
| C1 | S1 | C9 | C10 | 51.9° | 180.0° |
| C1 | S1 | C9 | H11 | 173.3° | 60.0° |
| C1 | S1 | C9 | H12 | 69.6° | 60.0° |
| S1 | C1 | C2 | H22 | 166.6° | 62.5° |
| O5 | C1 | S1 | C9 | 84.8° | 65.0° |
| C1 | O5 | C5 | C6 | 172.9° | 58.8° |
| C1 | O5 | C5 | H14 | 59.1° | 178.9° |
| O5 | C1 | C2 | H22 | 67.4° | 177.5° |
| S1 | C9 | C10 | H11 | 121.4° | 120.0° |
| S1 | C9 | C10 | H12 | 121.4° | 120.0° |
| S1 | C9 | C10 | C15 | 123.6° | 90.0° |
| S1 | C9 | C10 | C11 | 53.8° | 90.3° |
| S1 | C9 | H11 | H12 | 115.4° | 120.0° |
| C9 | S1 | C1 | H13 | 33.0° | 55.0° |
| O5 | C5 | C6 | H14 | 114.3° | 120.0° |
| C5 | O5 | C1 | H13 | 171.9° | 58.9° |
| O5 | C5 | C6 | H15 | 52.7° | 50.7° |
| O5 | C5 | C6 | H16 | 67.3° | 170.7° |
| O5 | C5 | C6 | H17 | 172.7° | 69.3° |
| O5 | C5 | C4 | H18 | 175.7° | 62.3° |
| C5 | C6 | H15 | H16 | 120.0° | 120.0° |
| C5 | C6 | H15 | H17 | 120.0° | 120.0° |
| C5 | C6 | H16 | H17 | 120.0° | 120.0° |
| C6 | C5 | C4 | H18 | 62.1° | 177.7° |
| C9 | C10 | C15 | C11 | 177.4° | 179.7° |
| C9 | C10 | C15 | C14 | 178.9° | 180.0° |
| C9 | C10 | C11 | C12 | 177.7° | 180.0° |
| C9 | C10 | C11 | H8 | 2.2° | 0.0° |
| C9 | C10 | C15 | H10 | 1.1° | 0.0° |
| C10 | C9 | H11 | H12 | 115.4° | 120.1° |
| C10 | C15 | C14 | H10 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C15 | C14 | C13 | 2.0° | 0.0° |
| C15 | C10 | C11 | H8 | 179.9° | 179.7° |
| C10 | C15 | C14 | H9 | 178.0° | 180.0° |
| C15 | C10 | C9 | H11 | 115.0° | 150.0° |
| C15 | C10 | C9 | H12 | 2.2° | 30.0° |
| C11 | C10 | C15 | C14 | 1.5° | 0.3° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C10 | C11 | C12 | H7 | 179.0° | 180.0° |
| C11 | C10 | C15 | H10 | 178.5° | 179.7° |
| C11 | C10 | C9 | H11 | 67.6° | 29.7° |
| C11 | C10 | C9 | H12 | 175.2° | 149.7° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.0° | 0.3° |
| C15 | C14 | C13 | O6 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.3° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | O6 | 178.2° | 180.0° |
| C14 | C13 | C12 | O6 | 178.7° | 179.7° |
| C14 | C13 | O6 | C16 | 20.0° | 0.3° |
| C14 | C13 | C12 | H7 | 179.5° | 179.8° |
| C13 | C14 | C15 | H10 | 178.0° | 180.0° |
| C12 | C13 | O6 | C16 | 161.3° | 180.0° |
| C13 | C12 | C11 | H8 | 179.1° | 180.0° |
| C12 | C13 | C14 | H9 | 179.0° | 179.7° |
| C13 | O6 | C16 | C17 | 171.9° | 180.0° |
| C13 | O6 | C16 | H5 | 52.4° | 60.0° |
| C13 | O6 | C16 | H6 | 68.6° | 60.0° |
| O6 | C13 | C12 | H7 | 1.8° | 0.1° |
| O6 | C13 | C14 | H9 | 0.4° | 0.0° |
| O6 | C16 | C17 | H5 | 119.5° | 120.0° |
| O6 | C16 | C17 | H6 | 119.5° | 120.0° |
| O6 | C16 | C17 | N1 | 72.4° | 180.0° |
| O6 | C16 | C17 | C18 | 107.3° | 0.0° |
| O6 | C16 | H5 | H6 | 121.4° | 120.0° |
| C16 | C17 | N1 | C18 | 179.8° | 180.0° |
| C16 | C17 | N1 | N2 | 178.5° | 180.0° |
| C16 | C17 | C18 | N3 | 179.5° | 179.8° |
| C16 | C17 | C18 | H4 | 0.5° | 0.1° |
| C17 | C16 | H5 | H6 | 121.4° | 120.0° |
| N1 | C17 | C18 | N3 | 0.7° | 0.2° |
| C17 | N1 | N2 | N3 | 3.0° | 0.2° |
| N1 | C17 | C18 | H4 | 179.2° | 179.9° |
| N1 | C17 | C16 | H5 | 168.0° | 60.0° |
| N1 | C17 | C16 | H6 | 47.1° | 60.0° |
| C18 | C17 | N1 | N2 | 1.3° | 0.0° |
| C17 | C18 | N3 | H4 | 180.0° | 179.9° |
| C17 | C18 | N3 | N2 | 2.5° | 0.3° |
| C17 | C18 | N3 | C19 | 179.1° | 179.9° |
| C18 | C17 | C16 | H5 | 12.2° | 120.1° |
| C18 | C17 | C16 | H6 | 133.1° | 119.9° |
| N1 | N2 | N3 | C18 | 3.5° | 0.3° |
| N1 | N2 | N3 | C19 | 178.9° | 179.9° |
| C18 | N3 | N2 | C19 | 177.6° | 179.6° |
| C18 | N3 | C19 | H1 | 99.7° | 115.3° |
| C18 | N3 | C19 | H2 | 41.4° | 4.6° |
| C18 | N3 | C19 | C7 | 150.8° | 124.7° |
| N2 | N3 | C19 | H1 | 76.6° | 65.1° |
| N2 | N3 | C19 | H2 | 142.2° | 175.0° |
| N2 | N3 | C18 | H4 | 177.5° | 179.8° |
| N2 | N3 | C19 | C7 | 32.8° | 54.9° |
| N3 | C19 | H1 | H2 | 144.8° | 120.0° |
| N3 | C19 | H1 | C7 | 70.4° | 120.0° |
| N3 | C19 | H2 | C7 | 70.3° | 120.1° |
| C19 | N3 | C18 | H4 | 0.9° | 0.1° |
| N3 | C19 | C7 | O1 | 90.0° | 180.0° |
| N3 | C19 | C7 | H3 | 90.0° | 60.0° |
| N3 | C19 | C7 | H24 | 90.0° | 59.9° |
| H1 | C19 | H2 | C7 | 144.8° | 120.0° |
| H1 | C19 | C7 | O1 | 90.0° | 60.0° |
| H1 | C19 | C7 | H3 | 90.0° | 180.0° |
| H1 | C19 | C7 | H24 | 90.0° | 60.0° |
| H2 | C19 | C7 | O1 | 90.0° | 60.0° |
| H2 | C19 | C7 | H3 | 90.0° | 60.0° |
| H2 | C19 | C7 | H24 | 90.0° | 180.0° |
| H7 | C12 | C11 | H8 | 1.0° | 0.0° |
| H9 | C14 | C15 | H10 | 2.0° | 0.0° |
| H13 | C1 | C2 | H22 | 51.7° | 57.6° |
| H14 | C5 | C6 | H15 | 61.6° | 170.8° |
| H14 | C5 | C6 | H16 | 178.4° | 69.2° |
| H14 | C5 | C6 | H17 | 58.4° | 50.8° |
| H14 | C5 | C4 | H18 | 56.6° | 57.7° |
| H15 | C6 | H16 | H17 | 120.0° | 120.0° |
| H18 | C4 | O4 | H19 | 54.7° | 60.2° |
| H18 | C4 | C3 | H20 | 53.8° | 56.9° |
| H20 | C3 | O3 | H21 | 62.8° | 60.2° |
| H20 | C3 | C2 | H22 | 176.6° | 63.2° |
| H22 | C2 | O2 | H23 | 64.2° | 59.9° |
| C19 | C7 | O1 | H3 | 90.0° | 120.0° |
| C19 | C7 | O1 | H24 | 90.0° | 120.0° |
| C19 | C7 | O1 | C20 | 90.0° | 180.0° |
| C19 | C7 | H3 | H24 | 90.0° | 120.0° |
| C7 | O1 | C20 | C21 | 90.0° | 180.0° |
| O1 | C7 | H3 | H24 | 90.0° | 120.0° |
| C7 | O1 | C20 | H25 | 90.0° | 60.0° |
| C7 | O1 | C20 | H26 | 90.0° | 59.9° |
| O1 | C20 | C21 | H25 | 90.0° | 119.9° |
| O1 | C20 | C21 | H26 | 90.0° | 120.1° |
| O1 | C20 | C21 | O7 | 90.0° | 65.0° |
| C20 | O1 | C7 | H3 | 90.0° | 60.0° |
| C20 | O1 | C7 | H24 | 90.0° | 60.0° |
| O1 | C20 | H25 | H26 | 90.0° | 120.0° |
| O1 | C20 | C21 | H27 | 90.0° | 175.0° |
| O1 | C20 | C21 | H28 | 90.0° | 55.1° |
| C20 | C21 | O7 | H27 | 90.0° | 120.0° |
| C20 | C21 | O7 | H28 | 90.0° | 120.0° |
| C20 | C21 | O7 | C23 | 90.0° | 180.0° |
| C21 | C20 | H25 | H26 | 90.0° | 120.0° |
| C20 | C21 | H27 | H28 | 90.0° | 120.0° |
| C21 | O7 | C23 | C22 | 90.0° | 180.0° |
| O7 | C21 | C20 | H25 | 90.0° | 55.0° |
| O7 | C21 | C20 | H26 | 90.0° | 175.0° |
| O7 | C21 | H27 | H28 | 90.0° | 120.0° |
| C21 | O7 | C23 | H31 | 90.0° | 60.0° |
| C21 | O7 | C23 | H32 | 90.0° | 60.0° |
| C22 | C23 | O7 | H31 | 90.0° | 120.0° |
| C22 | C23 | O7 | H32 | 90.0° | 120.0° |
| C23 | C22 | O8 | H29 | 90.0° | 120.0° |
| C23 | C22 | O8 | H30 | 90.0° | 119.9° |
| C23 | C22 | O8 | C25 | 90.0° | 180.0° |
| C23 | C22 | H29 | H30 | 90.0° | 119.9° |
| C22 | C23 | H31 | H32 | 90.0° | 120.0° |
| O7 | C23 | C22 | O8 | 90.0° | 65.0° |
| C23 | O7 | C21 | H27 | 90.0° | 60.0° |
| C23 | O7 | C21 | H28 | 90.0° | 60.0° |
| O7 | C23 | C22 | H29 | 90.0° | 175.0° |
| O7 | C23 | C22 | H30 | 90.0° | 55.0° |
| O7 | C23 | H31 | H32 | 90.0° | 120.0° |
| C22 | O8 | C25 | C26 | 90.0° | 180.0° |
| O8 | C22 | H29 | H30 | 90.0° | 120.1° |
| O8 | C22 | C23 | H31 | 90.0° | 55.0° |
| O8 | C22 | C23 | H32 | 90.0° | 175.1° |
| C22 | O8 | C25 | H33 | 90.0° | 60.0° |
| C22 | O8 | C25 | H34 | 90.0° | 60.0° |
| O8 | C25 | C26 | H33 | 90.0° | 120.0° |
| O8 | C25 | C26 | H34 | 90.0° | 120.0° |
| O8 | C25 | C26 | O9 | 90.0° | 65.0° |
| C25 | O8 | C22 | H29 | 90.0° | 60.0° |
| C25 | O8 | C22 | H30 | 90.0° | 60.1° |
| O8 | C25 | H33 | H34 | 90.0° | 119.9° |
| O8 | C25 | C26 | H35 | 90.0° | 175.0° |
| O8 | C25 | C26 | H36 | 90.0° | 55.0° |
| C25 | C26 | O9 | H35 | 90.0° | 120.0° |
| C25 | C26 | O9 | H36 | 90.0° | 119.9° |
| C26 | C25 | H33 | H34 | 90.0° | 120.0° |
| C25 | C26 | H35 | H36 | 90.0° | 120.0° |
| C25 | C26 | O9 | H37 | 90.0° | 180.0° |
| O9 | C26 | C25 | H33 | 90.0° | 55.0° |
| O9 | C26 | C25 | H34 | 90.0° | 175.0° |
| O9 | C26 | H35 | H36 | 90.0° | 120.0° |
| H25 | C20 | C21 | H27 | 90.0° | 65.1° |
| H25 | C20 | C21 | H28 | 90.0° | 175.0° |
| H26 | C20 | C21 | H27 | 90.0° | 54.9° |
| H26 | C20 | C21 | H28 | 90.0° | 65.0° |
| H29 | C22 | C23 | H31 | 90.0° | 65.0° |
| H29 | C22 | C23 | H32 | 90.0° | 55.0° |
| H30 | C22 | C23 | H31 | 90.0° | 175.0° |
| H30 | C22 | C23 | H32 | 90.0° | 65.0° |
| H33 | C25 | C26 | H35 | 90.0° | 65.0° |
| H33 | C25 | C26 | H36 | 90.0° | 174.9° |
| H34 | C25 | C26 | H35 | 90.0° | 55.0° |
| H34 | C25 | C26 | H36 | 90.0° | 65.0° |
| H35 | C26 | O9 | H37 | 90.0° | 60.0° |
| H36 | C26 | O9 | H37 | 90.0° | 60.1° |
