Y6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
| O | S | doub | 1.42Å | 1.44Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| S | C10 | sing | 1.76Å | 1.59Å | |
| S | C13 | sing | 1.81Å | 1.66Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | N2 | sing | 1.40Å | 1.34Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.49Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C3 | O2 | sing | 1.36Å | 1.37Å | |
| S1 | C16 | sing | 1.76Å | 1.75Å | |
| S1 | C17 | sing | 1.81Å | 1.76Å | |
| N2 | C16 | sing | 1.37Å | 1.32Å | Aromatic |
| N2 | C15 | sing | 1.37Å | 1.33Å | Aromatic |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| O2 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C21 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | N | doub | 1.30Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.54Å | 1.52Å | |
| N1 | N | sing | 1.29Å | 1.42Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C24 | C25 | 119.2° | 120.9° |
| C24 | N3 | C23 | 121.4° | 121.8° |
| N3 | C24 | H25 | 120.4° | 119.6° |
| C24 | C25 | C26 | 119.3° | 119.2° |
| C25 | C24 | H25 | 120.4° | 119.5° |
| C24 | C25 | H26 | 120.3° | 120.4° |
| N3 | C23 | C22 | 123.7° | 120.7° |
| N3 | C23 | H24 | 118.2° | 119.7° |
| O | S | O1 | 109.1° | 121.0° |
| O | S | C10 | 109.7° | 104.3° |
| O | S | C13 | 109.8° | 110.5° |
| O1 | S | C10 | 109.3° | 104.3° |
| O1 | S | C13 | 109.5° | 110.5° |
| C8 | C9 | C10 | 119.9° | 120.1° |
| C9 | C8 | C7 | 120.5° | 119.9° |
| C9 | C8 | H1 | 119.8° | 120.0° |
| C8 | C9 | H4 | 120.1° | 120.0° |
| C9 | C10 | S | 120.1° | 119.9° |
| C9 | C10 | C11 | 119.9° | 120.2° |
| C10 | C9 | H4 | 120.1° | 119.9° |
| C25 | C26 | C22 | 122.1° | 118.4° |
| C26 | C25 | H26 | 120.3° | 120.4° |
| C25 | C26 | H27 | 119.0° | 120.8° |
| C8 | C7 | C6 | 122.0° | 120.1° |
| C8 | C7 | C12 | 119.3° | 119.8° |
| C7 | C8 | H1 | 119.8° | 120.1° |
| C10 | S | C13 | 109.5° | 104.5° |
| S | C10 | C11 | 120.1° | 119.9° |
| S | C13 | H10 | 109.5° | 109.4° |
| S | C13 | H11 | 109.5° | 109.4° |
| S | C13 | H12 | 109.5° | 109.5° |
| C23 | C22 | C26 | 114.3° | 119.0° |
| C23 | C22 | N2 | 122.3° | 120.5° |
| C22 | C23 | H24 | 118.2° | 119.6° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C10 | C11 | H5 | 120.0° | 119.9° |
| C26 | C22 | N2 | 123.3° | 120.5° |
| C22 | C26 | H27 | 119.0° | 120.8° |
| C6 | C7 | C12 | 118.7° | 120.1° |
| C7 | C6 | C5 | 118.3° | 120.1° |
| C7 | C6 | C1 | 123.4° | 120.0° |
| C7 | C12 | C11 | 120.3° | 119.9° |
| C7 | C12 | H9 | 119.8° | 120.1° |
| C22 | N2 | C16 | 124.3° | 127.2° |
| C22 | N2 | C15 | 124.8° | 127.2° |
| C12 | C11 | H5 | 119.9° | 119.9° |
| C11 | C12 | H9 | 119.9° | 120.1° |
| C5 | C6 | C1 | 118.2° | 119.9° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.1° |
| C6 | C1 | C | 122.1° | 120.0° |
| C6 | C1 | C2 | 119.0° | 120.0° |
| C | C1 | C2 | 118.9° | 120.0° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.4° |
| C1 | C | H8 | 109.4° | 109.5° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C5 | C4 | H28 | 119.3° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C1 | C2 | H3 | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C4 | C3 | O2 | 119.0° | 119.9° |
| C3 | C4 | H28 | 119.3° | 120.0° |
| C2 | C3 | O2 | 120.4° | 119.9° |
| C3 | C2 | H3 | 119.8° | 120.0° |
| C19 | C20 | C21 | 107.1° | 104.2° |
| C20 | C19 | C18 | 107.5° | 106.6° |
| C20 | C19 | H18 | 110.0° | 110.1° |
| C20 | C19 | H19 | 110.0° | 110.1° |
| C19 | C20 | H20 | 110.1° | 110.4° |
| C19 | C20 | H21 | 110.1° | 110.5° |
| C20 | C21 | C17 | 107.1° | 102.8° |
| C21 | C20 | H20 | 110.1° | 110.5° |
| C21 | C20 | H21 | 110.1° | 110.5° |
| C20 | C21 | H22 | 110.1° | 110.7° |
| C20 | C21 | H23 | 110.1° | 110.8° |
| C3 | O2 | C14 | 122.0° | 117.0° |
| C16 | S1 | C17 | 109.4° | 100.0° |
| S1 | C16 | N2 | 125.4° | 126.5° |
| S1 | C16 | N1 | 123.8° | 126.5° |
| S1 | C17 | C21 | 109.8° | 110.6° |
| S1 | C17 | C18 | 109.6° | 110.5° |
| S1 | C17 | H15 | 108.4° | 110.4° |
| C16 | N2 | C15 | 110.9° | 105.6° |
| N2 | C16 | N1 | 110.8° | 107.0° |
| N2 | C15 | C14 | 128.3° | 126.3° |
| N2 | C15 | N | 105.2° | 107.3° |
| C19 | C18 | C17 | 107.5° | 106.6° |
| C19 | C18 | H16 | 109.9° | 110.0° |
| C19 | C18 | H17 | 110.0° | 110.1° |
| C18 | C19 | H18 | 110.0° | 110.1° |
| C18 | C19 | H19 | 109.9° | 110.0° |
| O2 | C14 | C15 | 108.8° | 109.5° |
| O2 | C14 | H13 | 109.6° | 109.5° |
| O2 | C14 | H14 | 109.6° | 109.4° |
| C14 | C15 | N | 126.5° | 126.4° |
| C15 | C14 | H13 | 109.6° | 109.5° |
| C15 | C14 | H14 | 109.7° | 109.5° |
| C21 | C17 | C18 | 106.1° | 104.2° |
| C21 | C17 | H15 | 111.4° | 110.5° |
| C17 | C21 | H22 | 110.0° | 110.8° |
| C17 | C21 | H23 | 110.1° | 110.8° |
| C16 | N1 | N | 103.5° | 109.9° |
| C15 | N | N1 | 109.6° | 110.1° |
| C18 | C17 | H15 | 111.4° | 110.5° |
| C17 | C18 | H16 | 110.0° | 110.0° |
| C17 | C18 | H17 | 110.0° | 110.0° |
| H6 | C | H7 | 109.4° | 109.4° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H12 | 109.4° | 109.6° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 110.0° |
| H18 | C19 | H19 | 109.5° | 110.0° |
| H20 | C20 | H21 | 109.5° | 110.6° |
| H22 | C21 | H23 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C24 | C25 | H25 | 180.0° | 179.8° |
| N3 | C24 | C25 | C26 | 0.2° | 0.2° |
| C24 | N3 | C23 | C22 | 0.1° | 0.1° |
| C24 | N3 | C23 | H24 | 179.9° | 180.0° |
| N3 | C24 | C25 | H26 | 179.8° | 180.0° |
| C25 | C24 | N3 | C23 | 0.1° | 0.2° |
| C24 | C25 | C26 | H26 | 180.0° | 179.8° |
| C24 | C25 | C26 | C22 | 0.5° | 0.1° |
| C24 | C25 | C26 | H27 | 179.5° | 180.0° |
| N3 | C23 | C22 | H24 | 180.0° | 179.9° |
| N3 | C23 | C22 | C26 | 0.1° | 0.3° |
| N3 | C23 | C22 | N2 | 180.0° | 180.0° |
| C23 | N3 | C24 | H25 | 179.9° | 180.0° |
| O | S | O1 | C10 | 119.9° | 116.7° |
| O | S | O1 | C13 | 120.2° | 131.5° |
| O | S | C10 | C9 | 21.5° | 26.1° |
| O | S | C10 | C13 | 120.5° | 116.1° |
| O | S | C10 | C11 | 158.9° | 153.9° |
| O | S | C13 | H10 | 180.0° | 51.7° |
| O | S | C13 | H11 | 60.0° | 171.6° |
| O | S | C13 | H12 | 60.0° | 68.4° |
| O1 | S | C10 | C9 | 98.1° | 154.0° |
| O1 | S | C10 | C13 | 119.9° | 116.1° |
| O1 | S | C10 | C11 | 81.5° | 26.1° |
| O1 | S | C13 | H10 | 60.2° | 171.6° |
| O1 | S | C13 | H11 | 179.7° | 51.7° |
| O1 | S | C13 | H12 | 59.7° | 68.3° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C8 | C9 | C10 | S | 179.6° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C8 | C7 | C6 | 179.6° | 179.8° |
| C9 | C8 | C7 | C12 | 1.4° | 0.0° |
| C10 | C9 | C8 | C7 | 0.8° | 0.0° |
| C9 | C10 | S | C11 | 179.6° | 180.0° |
| C9 | C10 | S | C13 | 142.0° | 90.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C8 | H1 | 179.2° | 179.8° |
| C9 | C10 | C11 | H5 | 179.8° | 180.0° |
| C25 | C26 | C22 | C23 | 0.4° | 0.3° |
| C25 | C26 | C22 | H27 | 180.0° | 179.9° |
| C25 | C26 | C22 | N2 | 179.7° | 180.0° |
| C26 | C25 | C24 | H25 | 179.8° | 180.0° |
| C8 | C7 | C6 | C12 | 178.2° | 179.7° |
| C8 | C7 | C12 | C11 | 1.2° | 0.1° |
| C8 | C7 | C6 | C5 | 122.1° | 49.9° |
| C8 | C7 | C6 | C1 | 58.7° | 130.0° |
| C7 | C8 | C9 | H4 | 179.2° | 180.0° |
| C8 | C7 | C12 | H9 | 178.8° | 179.9° |
| S | C10 | C11 | C12 | 179.8° | 179.9° |
| S | C10 | C9 | H4 | 0.4° | 0.1° |
| S | C10 | C11 | H5 | 0.2° | 0.0° |
| C10 | S | C13 | H10 | 59.5° | 60.0° |
| C10 | S | C13 | H11 | 60.5° | 60.0° |
| C10 | S | C13 | H12 | 179.5° | 180.0° |
| C13 | S | C10 | C11 | 38.4° | 90.0° |
| S | C13 | H10 | H11 | 120.0° | 119.9° |
| S | C13 | H10 | H12 | 120.0° | 120.0° |
| S | C13 | H11 | H12 | 120.0° | 120.0° |
| C23 | C22 | C26 | N2 | 179.8° | 179.6° |
| C23 | C22 | N2 | C16 | 70.9° | 115.0° |
| C23 | C22 | N2 | C15 | 108.0° | 65.0° |
| C23 | C22 | C26 | H27 | 179.6° | 179.7° |
| C10 | C11 | C12 | C7 | 0.4° | 0.1° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 179.6° | 179.9° |
| C26 | C22 | N2 | C16 | 108.9° | 65.3° |
| C26 | C22 | N2 | C15 | 72.2° | 114.7° |
| C26 | C22 | C23 | H24 | 179.8° | 179.8° |
| C22 | C26 | C25 | H26 | 179.5° | 179.7° |
| C6 | C7 | C12 | C11 | 179.5° | 179.8° |
| C7 | C6 | C5 | C1 | 179.2° | 179.9° |
| C7 | C6 | C1 | C | 0.4° | 0.0° |
| C7 | C6 | C5 | C4 | 179.8° | 180.0° |
| C7 | C6 | C1 | C2 | 179.7° | 180.0° |
| C6 | C7 | C8 | H1 | 0.4° | 0.0° |
| C7 | C6 | C5 | H2 | 0.2° | 0.3° |
| C6 | C7 | C12 | H9 | 0.6° | 0.2° |
| C7 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C7 | C6 | C5 | 56.1° | 129.8° |
| C12 | C7 | C6 | C1 | 123.1° | 50.3° |
| C12 | C7 | C8 | H1 | 178.6° | 179.8° |
| C7 | C12 | C11 | H5 | 179.6° | 180.0° |
| C22 | N2 | C16 | S1 | 1.1° | 0.1° |
| C22 | N2 | C16 | C15 | 179.0° | 180.0° |
| C22 | N2 | C15 | C14 | 0.6° | 0.0° |
| C22 | N2 | C16 | N1 | 179.6° | 180.0° |
| C22 | N2 | C15 | N | 179.4° | 180.0° |
| N2 | C22 | C23 | H24 | 0.0° | 0.1° |
| N2 | C22 | C26 | H27 | 0.2° | 0.1° |
| C5 | C6 | C1 | C | 179.6° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.5° | 0.1° |
| C6 | C5 | C4 | C3 | 0.4° | 0.3° |
| C6 | C5 | C4 | H28 | 179.6° | 179.7° |
| C6 | C1 | C | C2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C1 | C6 | C5 | H2 | 179.4° | 179.7° |
| C6 | C1 | C2 | H3 | 179.8° | 179.7° |
| C6 | C1 | C | H6 | 90.1° | 90.0° |
| C6 | C1 | C | H7 | 150.0° | 150.0° |
| C6 | C1 | C | H8 | 29.9° | 30.0° |
| C | C1 | C2 | C3 | 179.9° | 179.7° |
| C | C1 | C2 | H3 | 0.1° | 0.3° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 120.1° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C5 | C4 | C3 | H28 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C5 | C4 | C3 | O2 | 179.9° | 179.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C1 | C2 | C3 | H3 | 180.0° | 179.4° |
| C1 | C2 | C3 | O2 | 180.0° | 179.5° |
| C2 | C1 | C | H6 | 90.0° | 90.0° |
| C2 | C1 | C | H7 | 29.9° | 30.0° |
| C2 | C1 | C | H8 | 150.0° | 150.0° |
| C4 | C3 | C2 | O2 | 179.9° | 180.0° |
| C4 | C3 | O2 | C14 | 173.4° | 0.0° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C2 | C3 | O2 | C14 | 6.7° | 180.0° |
| C2 | C3 | C4 | H28 | 180.0° | 179.5° |
| C19 | C20 | C21 | H20 | 119.6° | 118.6° |
| C19 | C20 | C21 | H21 | 119.6° | 118.6° |
| C20 | C19 | C18 | H18 | 119.7° | 119.4° |
| C20 | C19 | C18 | H19 | 119.7° | 119.3° |
| C19 | C20 | C21 | C17 | 16.7° | 38.0° |
| C20 | C19 | C18 | C17 | 9.1° | 0.0° |
| C20 | C19 | C18 | H16 | 110.6° | 119.3° |
| C20 | C19 | C18 | H17 | 128.9° | 119.3° |
| C20 | C19 | H18 | H19 | 120.9° | 121.4° |
| C19 | C20 | H20 | H21 | 121.1° | 122.6° |
| C19 | C20 | C21 | H22 | 136.3° | 156.3° |
| C19 | C20 | C21 | H23 | 102.9° | 80.4° |
| C20 | C21 | C17 | S1 | 96.2° | 156.7° |
| C21 | C20 | C19 | C18 | 4.6° | 23.7° |
| C20 | C21 | C17 | H22 | 119.6° | 118.3° |
| C20 | C21 | C17 | H23 | 119.6° | 118.4° |
| C20 | C21 | C17 | C18 | 22.2° | 38.0° |
| C20 | C21 | C17 | H15 | 143.7° | 80.7° |
| C21 | C20 | C19 | H18 | 115.1° | 95.7° |
| C21 | C20 | C19 | H19 | 124.3° | 142.9° |
| C21 | C20 | H20 | H21 | 121.1° | 122.7° |
| C20 | C21 | H22 | H23 | 121.1° | 123.3° |
| C3 | O2 | C14 | C15 | 175.0° | 180.0° |
| O2 | C3 | C2 | H3 | 0.0° | 0.0° |
| C3 | O2 | C14 | H13 | 55.1° | 60.0° |
| C3 | O2 | C14 | H14 | 65.1° | 60.0° |
| O2 | C3 | C4 | H28 | 0.1° | 0.5° |
| S1 | C16 | N2 | N1 | 179.2° | 180.0° |
| S1 | C16 | N2 | C15 | 179.9° | 179.9° |
| C16 | S1 | C17 | C21 | 176.6° | 68.3° |
| C16 | S1 | C17 | C18 | 67.2° | 176.8° |
| S1 | C16 | N1 | N | 179.8° | 180.0° |
| C16 | S1 | C17 | H15 | 54.7° | 54.3° |
| C17 | S1 | C16 | N2 | 172.6° | 180.0° |
| S1 | C17 | C18 | C19 | 99.2° | 142.4° |
| S1 | C17 | C21 | C18 | 118.4° | 118.7° |
| S1 | C17 | C21 | H15 | 120.1° | 122.6° |
| C17 | S1 | C16 | N1 | 8.3° | 0.1° |
| S1 | C17 | C18 | H15 | 120.0° | 122.5° |
| S1 | C17 | C18 | H16 | 141.1° | 23.1° |
| S1 | C17 | C18 | H17 | 20.5° | 98.2° |
| S1 | C17 | C21 | H22 | 23.5° | 85.0° |
| S1 | C17 | C21 | H23 | 144.2° | 38.3° |
| C16 | N2 | C15 | C14 | 179.6° | 180.0° |
| C16 | N2 | C15 | N | 0.4° | 0.0° |
| N2 | C16 | N1 | N | 0.6° | 0.0° |
| N2 | C15 | C14 | O2 | 66.0° | 90.1° |
| N2 | C15 | C14 | N | 180.0° | 179.9° |
| C15 | N2 | C16 | N1 | 0.6° | 0.0° |
| N2 | C15 | N | N1 | 0.0° | 0.1° |
| N2 | C15 | C14 | H13 | 53.9° | 30.0° |
| N2 | C15 | C14 | H14 | 174.2° | 150.0° |
| C19 | C18 | C17 | C21 | 19.3° | 23.6° |
| C19 | C18 | C17 | H16 | 119.7° | 119.3° |
| C19 | C18 | C17 | H17 | 119.7° | 119.4° |
| C19 | C18 | C17 | H15 | 140.8° | 95.1° |
| C19 | C18 | H16 | H17 | 120.9° | 121.5° |
| C18 | C19 | H18 | H19 | 120.9° | 121.3° |
| C18 | C19 | C20 | H20 | 115.0° | 142.3° |
| C18 | C19 | C20 | H21 | 124.3° | 95.0° |
| O2 | C14 | C15 | H13 | 119.9° | 120.0° |
| O2 | C14 | C15 | H14 | 119.9° | 119.9° |
| O2 | C14 | C15 | N | 114.1° | 90.0° |
| O2 | C14 | H13 | H14 | 120.3° | 120.0° |
| C14 | C15 | N | N1 | 180.0° | 180.0° |
| C15 | C14 | H13 | H14 | 120.3° | 120.0° |
| C21 | C17 | C18 | H15 | 121.5° | 118.7° |
| C21 | C17 | C18 | H16 | 100.3° | 95.7° |
| C21 | C17 | C18 | H17 | 139.0° | 143.0° |
| C17 | C21 | C20 | H20 | 102.9° | 156.6° |
| C17 | C21 | C20 | H21 | 136.3° | 80.7° |
| C17 | C21 | H22 | H23 | 121.1° | 123.3° |
| C16 | N1 | N | C15 | 0.3° | 0.0° |
| N | C15 | C14 | H13 | 126.1° | 150.0° |
| N | C15 | C14 | H14 | 5.8° | 30.0° |
| C17 | C18 | H16 | H17 | 120.9° | 121.4° |
| C17 | C18 | C19 | H18 | 128.9° | 119.3° |
| C17 | C18 | C19 | H19 | 110.5° | 119.4° |
| C18 | C17 | C21 | H22 | 141.9° | 156.2° |
| C18 | C17 | C21 | H23 | 97.4° | 80.4° |
| H1 | C8 | C9 | H4 | 0.8° | 0.2° |
| H2 | C5 | C4 | H28 | 0.4° | 0.1° |
| H5 | C11 | C12 | H9 | 0.4° | 0.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H10 | C13 | H11 | H12 | 120.0° | 120.1° |
| H15 | C17 | C18 | H16 | 21.1° | 145.6° |
| H15 | C17 | C18 | H17 | 99.5° | 24.2° |
| H15 | C17 | C21 | H22 | 96.7° | 37.6° |
| H15 | C17 | C21 | H23 | 24.1° | 160.9° |
| H16 | C18 | C19 | H18 | 9.2° | 0.0° |
| H16 | C18 | C19 | H19 | 129.8° | 121.4° |
| H17 | C18 | C19 | H18 | 111.4° | 121.4° |
| H17 | C18 | C19 | H19 | 9.2° | 0.0° |
| H18 | C19 | C20 | H20 | 125.3° | 22.9° |
| H18 | C19 | C20 | H21 | 4.6° | 145.6° |
| H19 | C19 | C20 | H20 | 4.7° | 98.4° |
| H19 | C19 | C20 | H21 | 116.1° | 24.2° |
| H20 | C20 | C21 | H22 | 16.7° | 85.1° |
| H20 | C20 | C21 | H23 | 137.4° | 38.2° |
| H21 | C20 | C21 | H22 | 104.0° | 37.7° |
| H21 | C20 | C21 | H23 | 16.7° | 161.0° |
| H25 | C24 | C25 | H26 | 0.2° | 0.2° |
| H26 | C25 | C26 | H27 | 0.4° | 0.2° |
