YHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | N12 | sing | 1.39Å | 1.38Å | |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | sing | 1.41Å | 1.51Å | Aromatic |
| C17 | N12 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | doub | 1.30Å | 1.27Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C18 | N20 | doub | 1.31Å | 1.27Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| N20 | N21 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | N21 | sing | 1.34Å | 1.31Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C31 | C23 | sing | 1.53Å | 1.57Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C23 | C29 | sing | 1.53Å | 1.57Å | |
| C30 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | C28 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.53Å | 1.57Å | |
| N27 | C32 | sing | 1.35Å | 1.36Å | |
| N39 | C38 | sing | 1.47Å | 1.49Å | |
| N39 | C34 | sing | 1.47Å | 1.49Å | |
| C32 | O33 | doub | 1.21Å | 1.23Å | |
| C32 | C34 | sing | 1.51Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.56Å | |
| O36 | C37 | sing | 1.43Å | 1.45Å | |
| O36 | C35 | sing | 1.43Å | 1.46Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N27 | H30 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| N39 | H40 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N10 | 119.4° | 119.2° |
| C9 | C8 | C7 | 119.5° | 119.2° |
| C8 | C9 | H27 | 109.5° | 109.4° |
| C8 | C9 | H28 | 109.5° | 109.5° |
| C8 | C9 | H29 | 109.5° | 109.5° |
| N10 | C8 | C7 | 121.0° | 121.6° |
| C8 | N10 | C11 | 120.3° | 121.8° |
| C8 | C7 | C6 | 121.5° | 119.5° |
| C8 | C7 | H26 | 119.3° | 120.3° |
| N10 | C11 | N2 | 128.9° | 133.5° |
| N10 | C11 | C5 | 120.3° | 120.2° |
| C7 | C6 | C5 | 114.6° | 117.9° |
| C7 | C6 | N12 | 120.6° | 121.0° |
| C6 | C7 | H26 | 119.2° | 120.2° |
| C1 | N2 | C11 | 127.3° | 125.8° |
| C1 | N2 | N3 | 124.2° | 125.9° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.4° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | C11 | C5 | 110.8° | 106.4° |
| C11 | N2 | N3 | 108.5° | 108.3° |
| C11 | C5 | C6 | 122.3° | 119.0° |
| C11 | C5 | C4 | 100.3° | 107.2° |
| N2 | N3 | C4 | 110.9° | 109.7° |
| C5 | C6 | N12 | 124.8° | 121.1° |
| C6 | C5 | C4 | 137.5° | 133.8° |
| C6 | N12 | C17 | 120.0° | 111.0° |
| C6 | N12 | C13 | 119.8° | 111.0° |
| C19 | C18 | C16 | 128.0° | 125.9° |
| C19 | C18 | N20 | 126.0° | 126.0° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.4° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C5 | C4 | N3 | 109.6° | 108.5° |
| C5 | C4 | H25 | 125.2° | 125.8° |
| N12 | C17 | C16 | 112.8° | 108.2° |
| C17 | N12 | C13 | 120.2° | 111.5° |
| N12 | C17 | H8 | 108.6° | 109.7° |
| N12 | C17 | H9 | 108.6° | 109.7° |
| C17 | C16 | C18 | 129.9° | 128.6° |
| C17 | C16 | C15 | 124.7° | 123.4° |
| C16 | C17 | H8 | 108.7° | 109.8° |
| C16 | C17 | H9 | 108.6° | 109.7° |
| N12 | C13 | C14 | 116.1° | 109.7° |
| N12 | C13 | H4 | 107.8° | 109.5° |
| N12 | C13 | H5 | 107.8° | 109.4° |
| N3 | C4 | H25 | 125.2° | 125.7° |
| C16 | C18 | N20 | 106.0° | 108.0° |
| C18 | C16 | C15 | 105.4° | 108.0° |
| C18 | N20 | N21 | 110.6° | 108.3° |
| C16 | C15 | C14 | 121.5° | 123.2° |
| C16 | C15 | N21 | 109.3° | 107.9° |
| C13 | C14 | C15 | 108.8° | 107.9° |
| C14 | C13 | H4 | 107.8° | 109.4° |
| C14 | C13 | H5 | 107.8° | 109.4° |
| C13 | C14 | H6 | 109.7° | 109.8° |
| C13 | C14 | H7 | 109.6° | 109.8° |
| N20 | N21 | C15 | 108.5° | 107.8° |
| N20 | N21 | C22 | 123.8° | 126.1° |
| C14 | C15 | N21 | 129.1° | 128.9° |
| C15 | C14 | H6 | 109.6° | 109.8° |
| C15 | C14 | H7 | 109.6° | 109.8° |
| C15 | N21 | C22 | 127.6° | 126.1° |
| N21 | C22 | C23 | 115.0° | 109.4° |
| N21 | C22 | H13 | 108.1° | 109.5° |
| N21 | C22 | H14 | 108.1° | 109.5° |
| C25 | C24 | C23 | 111.5° | 109.5° |
| C24 | C25 | C26 | 111.0° | 109.5° |
| C25 | C24 | H15 | 108.9° | 109.5° |
| C25 | C24 | H16 | 108.9° | 109.5° |
| C24 | C25 | H17 | 109.1° | 109.5° |
| C24 | C25 | H18 | 109.1° | 109.4° |
| C24 | C23 | C22 | 112.3° | 109.5° |
| C24 | C23 | C31 | 107.8° | 109.5° |
| C24 | C23 | C29 | 106.8° | 109.5° |
| C23 | C24 | H15 | 109.0° | 109.5° |
| C23 | C24 | H16 | 109.0° | 109.5° |
| C22 | C23 | C31 | 112.6° | 109.5° |
| C22 | C23 | C29 | 109.5° | 109.4° |
| C23 | C22 | H13 | 108.1° | 109.5° |
| C23 | C22 | H14 | 108.1° | 109.5° |
| C23 | C31 | C30 | 112.1° | 109.5° |
| C31 | C23 | C29 | 107.6° | 109.5° |
| C23 | C31 | H31 | 108.8° | 109.5° |
| C23 | C31 | H32 | 108.8° | 109.5° |
| C31 | C30 | C26 | 110.9° | 109.4° |
| C31 | C30 | H23 | 109.1° | 109.5° |
| C31 | C30 | H24 | 109.1° | 109.5° |
| C30 | C31 | H31 | 108.8° | 109.4° |
| C30 | C31 | H32 | 108.8° | 109.5° |
| C25 | C26 | C30 | 105.9° | 109.5° |
| C25 | C26 | N27 | 114.9° | 109.5° |
| C25 | C26 | C28 | 108.4° | 109.5° |
| C26 | C25 | H17 | 109.1° | 109.5° |
| C26 | C25 | H18 | 109.1° | 109.5° |
| C23 | C29 | C28 | 110.9° | 109.5° |
| C23 | C29 | H21 | 109.1° | 109.5° |
| C23 | C29 | H22 | 109.1° | 109.5° |
| C30 | C26 | N27 | 108.7° | 109.4° |
| C30 | C26 | C28 | 108.2° | 109.5° |
| C26 | C30 | H23 | 109.1° | 109.5° |
| C26 | C30 | H24 | 109.1° | 109.5° |
| N27 | C26 | C28 | 110.5° | 109.5° |
| C26 | N27 | C32 | 127.3° | 120.0° |
| C26 | N27 | H30 | 116.4° | 120.0° |
| C26 | C28 | C29 | 112.1° | 109.5° |
| C26 | C28 | H19 | 108.8° | 109.5° |
| C26 | C28 | H20 | 108.8° | 109.5° |
| C29 | C28 | H19 | 108.8° | 109.5° |
| C29 | C28 | H20 | 108.8° | 109.4° |
| C28 | C29 | H21 | 109.1° | 109.5° |
| C28 | C29 | H22 | 109.1° | 109.4° |
| N27 | C32 | O33 | 125.9° | 120.1° |
| N27 | C32 | C34 | 116.9° | 119.9° |
| C32 | N27 | H30 | 116.4° | 120.1° |
| C38 | N39 | C34 | 114.9° | 110.7° |
| N39 | C38 | C37 | 111.8° | 109.3° |
| N39 | C38 | H38 | 108.9° | 109.5° |
| N39 | C38 | H39 | 108.9° | 109.6° |
| C38 | N39 | H40 | 108.1° | 111.1° |
| N39 | C34 | C32 | 112.8° | 109.5° |
| N39 | C34 | C35 | 111.2° | 109.2° |
| N39 | C34 | H33 | 107.2° | 109.5° |
| C34 | N39 | H40 | 108.1° | 111.0° |
| O33 | C32 | C34 | 117.2° | 120.0° |
| C32 | C34 | C35 | 112.0° | 109.5° |
| C32 | C34 | H33 | 106.8° | 109.6° |
| C38 | C37 | O36 | 113.7° | 109.3° |
| C38 | C37 | H36 | 108.4° | 109.5° |
| C38 | C37 | H37 | 108.4° | 109.6° |
| C37 | C38 | H38 | 108.9° | 109.5° |
| C37 | C38 | H39 | 108.9° | 109.5° |
| C37 | O36 | C35 | 116.4° | 113.7° |
| O36 | C37 | H36 | 108.4° | 109.5° |
| O36 | C37 | H37 | 108.4° | 109.5° |
| O36 | C35 | C34 | 114.0° | 109.3° |
| O36 | C35 | H34 | 108.3° | 109.6° |
| O36 | C35 | H35 | 108.3° | 109.6° |
| C35 | C34 | H33 | 106.4° | 109.5° |
| C34 | C35 | H34 | 108.3° | 109.5° |
| C34 | C35 | H35 | 108.3° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.7° |
| H8 | C17 | H9 | 109.5° | 109.7° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H12 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.4° | 109.5° |
| H19 | C28 | H20 | 109.4° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.4° |
| H27 | C9 | H28 | 109.5° | 109.4° |
| H27 | C9 | H29 | 109.4° | 109.5° |
| H28 | C9 | H29 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N10 | C7 | 178.6° | 179.6° |
| C9 | C8 | N10 | C11 | 178.3° | 179.9° |
| C9 | C8 | C7 | C6 | 178.8° | 179.8° |
| C9 | C8 | C7 | H26 | 1.2° | 0.1° |
| C8 | C9 | H27 | H28 | 120.0° | 120.0° |
| C8 | C9 | H27 | H29 | 120.0° | 120.0° |
| C8 | C9 | H28 | H29 | 120.0° | 120.0° |
| N10 | C8 | C7 | C6 | 0.2° | 0.2° |
| C8 | N10 | C11 | N2 | 179.4° | 179.9° |
| C8 | N10 | C11 | C5 | 1.2° | 0.5° |
| N10 | C8 | C7 | H26 | 179.8° | 179.7° |
| N10 | C8 | C9 | H27 | 0.0° | 90.0° |
| N10 | C8 | C9 | H28 | 120.0° | 150.1° |
| N10 | C8 | C9 | H29 | 120.0° | 30.0° |
| C7 | C8 | N10 | C11 | 0.3° | 0.5° |
| C8 | C7 | C6 | H26 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | N12 | 178.2° | 180.0° |
| C7 | C8 | C9 | H27 | 178.6° | 89.6° |
| C7 | C8 | C9 | H28 | 61.4° | 30.3° |
| C7 | C8 | C9 | H29 | 58.6° | 150.4° |
| N10 | C11 | N2 | C1 | 0.1° | 0.3° |
| N10 | C11 | N2 | C5 | 179.5° | 179.7° |
| N10 | C11 | N2 | N3 | 178.7° | 179.7° |
| N10 | C11 | C5 | C6 | 1.7° | 0.3° |
| N10 | C11 | C5 | C4 | 179.1° | 179.7° |
| C7 | C6 | C5 | C11 | 1.2° | 0.0° |
| C7 | C6 | C5 | N12 | 177.9° | 179.9° |
| C7 | C6 | C5 | C4 | 180.0° | 179.9° |
| C7 | C6 | N12 | C17 | 8.3° | 113.7° |
| C7 | C6 | N12 | C13 | 173.8° | 10.8° |
| C1 | N2 | C11 | N3 | 178.6° | 180.0° |
| C1 | N2 | C11 | C5 | 179.4° | 180.0° |
| C1 | N2 | N3 | C4 | 179.5° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N2 | C11 | C5 | C6 | 178.8° | 180.0° |
| N2 | C11 | C5 | C4 | 0.4° | 0.0° |
| C11 | N2 | N3 | C4 | 0.8° | 0.0° |
| C11 | N2 | C1 | H1 | 178.5° | 90.0° |
| C11 | N2 | C1 | H2 | 58.5° | 150.0° |
| C11 | N2 | C1 | H3 | 61.6° | 30.0° |
| C5 | C11 | N2 | N3 | 0.7° | 0.0° |
| C11 | C5 | C6 | C4 | 178.8° | 180.0° |
| C11 | C5 | C6 | N12 | 179.1° | 180.0° |
| C11 | C5 | C4 | N3 | 0.1° | 0.0° |
| C11 | C5 | C4 | H25 | 179.9° | 180.0° |
| N2 | N3 | C4 | C5 | 0.5° | 0.0° |
| N3 | N2 | C1 | H1 | 0.0° | 90.0° |
| N3 | N2 | C1 | H2 | 120.0° | 30.0° |
| N3 | N2 | C1 | H3 | 120.0° | 150.0° |
| N2 | N3 | C4 | H25 | 179.4° | 180.0° |
| C5 | C6 | N12 | C17 | 169.5° | 66.3° |
| C5 | C6 | N12 | C13 | 8.4° | 169.1° |
| C6 | C5 | C4 | N3 | 179.1° | 180.0° |
| C6 | C5 | C4 | H25 | 0.9° | 0.1° |
| C5 | C6 | C7 | H26 | 179.8° | 179.9° |
| N12 | C6 | C5 | C4 | 2.1° | 0.0° |
| C6 | N12 | C17 | C13 | 177.9° | 124.3° |
| C6 | N12 | C17 | C16 | 173.9° | 175.7° |
| C6 | N12 | C13 | C14 | 154.3° | 164.2° |
| C6 | N12 | C13 | H4 | 84.7° | 44.1° |
| C6 | N12 | C13 | H5 | 33.4° | 75.9° |
| C6 | N12 | C17 | H8 | 65.6° | 56.0° |
| C6 | N12 | C17 | H9 | 53.4° | 64.7° |
| N12 | C6 | C7 | H26 | 1.8° | 0.0° |
| C19 | C18 | C16 | C17 | 0.6° | 0.2° |
| C19 | C18 | C16 | N20 | 179.6° | 179.9° |
| C19 | C18 | C16 | C15 | 179.1° | 179.9° |
| C19 | C18 | N20 | N21 | 179.1° | 179.9° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H12 | 120.0° | 120.1° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C5 | C4 | N3 | H25 | 180.0° | 180.0° |
| N12 | C17 | C16 | H8 | 120.5° | 119.7° |
| N12 | C17 | C16 | H9 | 120.5° | 119.7° |
| N12 | C17 | C16 | C18 | 161.0° | 163.5° |
| N12 | C17 | C16 | C15 | 18.7° | 16.5° |
| C17 | N12 | C13 | C14 | 27.7° | 71.5° |
| C17 | N12 | C13 | H4 | 93.2° | 168.4° |
| C17 | N12 | C13 | H5 | 148.7° | 48.4° |
| N12 | C17 | H8 | H9 | 118.5° | 120.6° |
| C16 | C17 | N12 | C13 | 4.0° | 51.4° |
| C17 | C16 | C18 | C15 | 179.7° | 180.0° |
| C17 | C16 | C18 | N20 | 179.8° | 179.9° |
| C17 | C16 | C15 | C14 | 1.4° | 0.2° |
| C17 | C16 | C15 | N21 | 178.1° | 179.9° |
| C16 | C17 | H8 | H9 | 118.5° | 120.6° |
| N12 | C13 | C14 | H4 | 121.0° | 120.1° |
| N12 | C13 | C14 | H5 | 121.0° | 120.0° |
| N12 | C13 | C14 | C15 | 44.6° | 49.1° |
| N12 | C13 | H4 | H5 | 117.0° | 119.9° |
| N12 | C13 | C14 | H6 | 164.4° | 168.8° |
| N12 | C13 | C14 | H7 | 75.3° | 70.5° |
| C13 | N12 | C17 | H8 | 116.5° | 68.3° |
| C13 | N12 | C17 | H9 | 124.5° | 171.0° |
| C16 | C18 | N20 | N21 | 1.3° | 0.0° |
| C18 | C16 | C15 | C14 | 178.9° | 179.8° |
| C18 | C16 | C15 | N21 | 2.1° | 0.1° |
| C18 | C16 | C17 | H8 | 78.5° | 76.8° |
| C18 | C16 | C17 | H9 | 40.5° | 43.8° |
| C16 | C18 | C19 | H10 | 179.5° | 90.0° |
| C16 | C18 | C19 | H11 | 60.5° | 150.0° |
| C16 | C18 | C19 | H12 | 59.5° | 30.0° |
| N20 | C18 | C16 | C15 | 0.5° | 0.0° |
| C18 | N20 | N21 | C15 | 2.7° | 0.1° |
| C18 | N20 | N21 | C22 | 179.7° | 179.9° |
| N20 | C18 | C19 | H10 | 0.0° | 89.9° |
| N20 | C18 | C19 | H11 | 120.0° | 30.1° |
| N20 | C18 | C19 | H12 | 120.0° | 150.1° |
| C16 | C15 | C14 | C13 | 32.5° | 15.8° |
| C16 | C15 | N21 | N20 | 3.0° | 0.1° |
| C16 | C15 | C14 | N21 | 176.0° | 179.9° |
| C16 | C15 | N21 | C22 | 179.6° | 179.9° |
| C16 | C15 | C14 | H6 | 152.4° | 135.4° |
| C16 | C15 | C14 | H7 | 87.4° | 103.8° |
| C15 | C16 | C17 | H8 | 101.8° | 103.2° |
| C15 | C16 | C17 | H9 | 139.2° | 136.1° |
| C13 | C14 | C15 | H6 | 119.9° | 119.7° |
| C13 | C14 | C15 | H7 | 119.9° | 119.6° |
| C13 | C14 | C15 | N21 | 151.5° | 164.1° |
| C14 | C13 | H4 | H5 | 116.9° | 119.9° |
| C13 | C14 | H6 | H7 | 120.3° | 120.7° |
| N20 | N21 | C15 | C14 | 179.4° | 179.8° |
| N20 | N21 | C15 | C22 | 177.5° | 180.0° |
| N20 | N21 | C22 | C23 | 93.1° | 90.0° |
| N20 | N21 | C22 | H13 | 27.7° | 150.0° |
| N20 | N21 | C22 | H14 | 146.1° | 30.0° |
| C14 | C15 | N21 | C22 | 3.1° | 0.2° |
| C15 | C14 | C13 | H4 | 76.4° | 169.2° |
| C15 | C14 | C13 | H5 | 165.5° | 70.8° |
| C15 | C14 | H6 | H7 | 120.3° | 120.8° |
| C15 | N21 | C22 | C23 | 89.8° | 90.0° |
| N21 | C15 | C14 | H6 | 31.6° | 44.4° |
| N21 | C15 | C14 | H7 | 88.6° | 76.3° |
| C15 | N21 | C22 | H13 | 149.4° | 30.0° |
| C15 | N21 | C22 | H14 | 31.0° | 150.0° |
| N21 | C22 | C23 | C24 | 61.4° | 60.0° |
| N21 | C22 | C23 | H13 | 120.8° | 120.0° |
| N21 | C22 | C23 | H14 | 120.8° | 120.0° |
| N21 | C22 | C23 | C31 | 60.6° | 60.0° |
| N21 | C22 | C23 | C29 | 179.8° | 180.0° |
| N21 | C22 | H13 | H14 | 117.5° | 120.0° |
| C25 | C24 | C23 | H15 | 120.3° | 120.0° |
| C25 | C24 | C23 | H16 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 179.4° | 180.0° |
| C25 | C24 | C23 | C31 | 54.8° | 60.0° |
| C24 | C25 | C26 | H17 | 120.3° | 120.0° |
| C24 | C25 | C26 | H18 | 120.2° | 120.0° |
| C25 | C24 | C23 | C29 | 60.5° | 60.0° |
| C24 | C25 | C26 | C30 | 61.2° | 60.0° |
| C24 | C25 | C26 | N27 | 178.8° | 180.0° |
| C24 | C25 | C26 | C28 | 54.6° | 60.0° |
| C25 | C24 | H15 | H16 | 119.1° | 120.0° |
| C24 | C25 | H17 | H18 | 119.3° | 119.9° |
| C24 | C23 | C22 | C31 | 121.9° | 120.0° |
| C24 | C23 | C22 | C29 | 118.4° | 120.0° |
| C24 | C23 | C31 | C29 | 114.8° | 120.0° |
| C24 | C23 | C31 | C30 | 55.6° | 60.0° |
| C23 | C24 | C25 | C26 | 3.2° | 0.0° |
| C24 | C23 | C29 | C28 | 59.2° | 60.0° |
| C24 | C23 | C22 | H13 | 59.4° | 180.0° |
| C24 | C23 | C22 | H14 | 177.8° | 60.0° |
| C23 | C24 | H15 | H16 | 119.1° | 120.0° |
| C23 | C24 | C25 | H17 | 117.1° | 120.0° |
| C23 | C24 | C25 | H18 | 123.4° | 120.0° |
| C24 | C23 | C29 | H21 | 61.0° | 60.0° |
| C24 | C23 | C29 | H22 | 179.4° | 180.0° |
| C24 | C23 | C31 | H31 | 176.0° | 180.0° |
| C24 | C23 | C31 | H32 | 64.8° | 60.0° |
| C22 | C23 | C31 | C29 | 120.8° | 120.0° |
| C22 | C23 | C31 | C30 | 179.9° | 180.0° |
| C22 | C23 | C29 | C28 | 179.0° | 180.0° |
| C23 | C22 | H13 | H14 | 117.5° | 120.0° |
| C22 | C23 | C24 | H15 | 60.3° | 60.0° |
| C22 | C23 | C24 | H16 | 59.1° | 60.0° |
| C22 | C23 | C29 | H21 | 60.8° | 60.0° |
| C22 | C23 | C29 | H22 | 58.7° | 60.0° |
| C22 | C23 | C31 | H31 | 59.5° | 60.0° |
| C22 | C23 | C31 | H32 | 59.7° | 60.0° |
| C23 | C31 | C30 | H31 | 120.4° | 120.0° |
| C23 | C31 | C30 | H32 | 120.4° | 120.0° |
| C23 | C31 | C30 | C26 | 2.5° | 0.0° |
| C31 | C23 | C29 | C28 | 56.3° | 60.0° |
| C31 | C23 | C22 | H13 | 178.6° | 60.0° |
| C31 | C23 | C22 | H14 | 60.2° | 180.0° |
| C31 | C23 | C24 | H15 | 175.1° | 60.0° |
| C31 | C23 | C24 | H16 | 65.5° | 180.0° |
| C31 | C23 | C29 | H21 | 176.5° | 180.0° |
| C31 | C23 | C29 | H22 | 63.9° | 60.0° |
| C23 | C31 | C30 | H23 | 122.7° | 120.0° |
| C23 | C31 | C30 | H24 | 117.7° | 120.0° |
| C23 | C31 | H31 | H32 | 118.8° | 120.0° |
| C31 | C30 | C26 | C25 | 60.6° | 60.0° |
| C30 | C31 | C23 | C29 | 59.2° | 60.0° |
| C31 | C30 | C26 | H23 | 120.2° | 120.0° |
| C31 | C30 | C26 | H24 | 120.2° | 120.0° |
| C31 | C30 | C26 | N27 | 175.4° | 180.0° |
| C31 | C30 | C26 | C28 | 55.3° | 60.0° |
| C31 | C30 | H23 | H24 | 119.4° | 120.0° |
| C30 | C31 | H31 | H32 | 118.8° | 120.0° |
| C25 | C26 | C30 | N27 | 124.0° | 120.0° |
| C25 | C26 | C30 | C28 | 116.0° | 120.1° |
| C25 | C26 | N27 | C28 | 123.0° | 120.0° |
| C25 | C26 | C28 | C29 | 56.2° | 60.0° |
| C25 | C26 | N27 | C32 | 56.8° | 180.0° |
| C26 | C25 | C24 | H15 | 117.1° | 120.0° |
| C26 | C25 | C24 | H16 | 123.5° | 120.0° |
| C26 | C25 | H17 | H18 | 119.3° | 120.0° |
| C25 | C26 | C28 | H19 | 176.6° | 180.0° |
| C25 | C26 | C28 | H20 | 64.2° | 60.0° |
| C25 | C26 | C30 | H23 | 179.2° | 60.0° |
| C25 | C26 | C30 | H24 | 59.6° | 179.9° |
| C25 | C26 | N27 | H30 | 123.2° | 0.1° |
| C23 | C29 | C28 | C26 | 1.3° | 0.0° |
| C23 | C29 | C28 | H21 | 120.2° | 120.0° |
| C23 | C29 | C28 | H22 | 120.2° | 120.0° |
| C29 | C23 | C22 | H13 | 59.0° | 60.0° |
| C29 | C23 | C22 | H14 | 59.4° | 60.0° |
| C29 | C23 | C24 | H15 | 59.8° | 180.0° |
| C29 | C23 | C24 | H16 | 179.2° | 60.0° |
| C23 | C29 | C28 | H19 | 119.1° | 120.0° |
| C23 | C29 | C28 | H20 | 121.7° | 120.0° |
| C23 | C29 | H21 | H22 | 119.3° | 120.0° |
| C29 | C23 | C31 | H31 | 61.2° | 60.0° |
| C29 | C23 | C31 | H32 | 179.5° | 180.0° |
| C30 | C26 | N27 | C28 | 118.6° | 120.0° |
| C30 | C26 | C28 | C29 | 58.2° | 60.0° |
| C30 | C26 | N27 | C32 | 175.2° | 60.0° |
| C30 | C26 | C25 | H17 | 59.0° | 60.0° |
| C30 | C26 | C25 | H18 | 178.6° | 180.0° |
| C30 | C26 | C28 | H19 | 62.2° | 60.0° |
| C30 | C26 | C28 | H20 | 178.6° | 180.0° |
| C26 | C30 | H23 | H24 | 119.4° | 120.0° |
| C30 | C26 | N27 | H30 | 4.9° | 120.0° |
| C26 | C30 | C31 | H31 | 117.9° | 120.0° |
| C26 | C30 | C31 | H32 | 122.9° | 120.0° |
| N27 | C26 | C28 | C29 | 177.1° | 180.0° |
| C26 | N27 | C32 | H30 | 180.0° | 180.0° |
| C26 | N27 | C32 | O33 | 2.3° | 0.0° |
| C26 | N27 | C32 | C34 | 175.5° | 180.0° |
| N27 | C26 | C25 | H17 | 60.9° | 60.0° |
| N27 | C26 | C25 | H18 | 58.6° | 60.0° |
| N27 | C26 | C28 | H19 | 56.7° | 60.0° |
| N27 | C26 | C28 | H20 | 62.5° | 60.1° |
| N27 | C26 | C30 | H23 | 55.2° | 60.0° |
| N27 | C26 | C30 | H24 | 64.4° | 60.0° |
| C26 | C28 | C29 | H19 | 120.4° | 120.1° |
| C26 | C28 | C29 | H20 | 120.4° | 120.0° |
| C28 | C26 | N27 | C32 | 66.2° | 60.0° |
| C28 | C26 | C25 | H17 | 174.9° | 180.0° |
| C28 | C26 | C25 | H18 | 65.6° | 60.0° |
| C26 | C28 | H19 | H20 | 118.8° | 120.0° |
| C26 | C28 | C29 | H21 | 118.9° | 120.0° |
| C26 | C28 | C29 | H22 | 121.5° | 120.0° |
| C28 | C26 | C30 | H23 | 64.9° | 180.0° |
| C28 | C26 | C30 | H24 | 175.5° | 60.0° |
| C28 | C26 | N27 | H30 | 113.7° | 120.0° |
| C29 | C28 | H19 | H20 | 118.8° | 120.0° |
| C28 | C29 | H21 | H22 | 119.4° | 120.0° |
| N27 | C32 | C34 | N39 | 30.7° | 160.3° |
| N27 | C32 | O33 | C34 | 177.8° | 180.0° |
| N27 | C32 | C34 | C35 | 157.1° | 80.1° |
| N27 | C32 | C34 | H33 | 86.8° | 40.1° |
| C38 | N39 | C34 | H40 | 120.8° | 123.8° |
| C38 | N39 | C34 | C32 | 179.1° | 178.5° |
| N39 | C38 | C37 | H38 | 120.3° | 119.9° |
| N39 | C38 | C37 | H39 | 120.3° | 120.1° |
| N39 | C38 | C37 | O36 | 3.2° | 56.9° |
| C38 | N39 | C34 | C35 | 52.3° | 58.7° |
| C38 | N39 | C34 | H33 | 63.6° | 61.3° |
| N39 | C38 | C37 | H36 | 117.4° | 63.1° |
| N39 | C38 | C37 | H37 | 123.8° | 176.9° |
| N39 | C38 | H38 | H39 | 118.9° | 120.1° |
| N39 | C34 | C32 | O33 | 151.2° | 19.7° |
| N39 | C34 | C32 | C35 | 126.4° | 119.7° |
| N39 | C34 | C32 | H33 | 117.6° | 120.1° |
| C34 | N39 | C38 | C37 | 47.2° | 58.7° |
| N39 | C34 | C35 | O36 | 6.7° | 56.9° |
| N39 | C34 | C35 | H33 | 116.4° | 120.0° |
| N39 | C34 | C35 | H34 | 127.4° | 63.1° |
| N39 | C34 | C35 | H35 | 113.9° | 176.9° |
| C34 | N39 | C38 | H38 | 73.2° | 178.6° |
| C34 | N39 | C38 | H39 | 167.5° | 61.3° |
| O33 | C32 | C34 | C35 | 24.9° | 99.9° |
| O33 | C32 | N27 | H30 | 177.7° | 180.0° |
| O33 | C32 | C34 | H33 | 91.2° | 139.9° |
| C32 | C34 | C35 | O36 | 133.9° | 176.8° |
| C32 | C34 | C35 | H33 | 116.4° | 120.2° |
| C34 | C32 | N27 | H30 | 4.4° | 0.0° |
| C32 | C34 | C35 | H34 | 105.4° | 56.8° |
| C32 | C34 | C35 | H35 | 13.3° | 63.3° |
| C32 | C34 | N39 | H40 | 58.2° | 54.7° |
| C38 | C37 | O36 | H36 | 120.6° | 119.9° |
| C38 | C37 | O36 | H37 | 120.6° | 120.0° |
| C38 | C37 | O36 | C35 | 49.2° | 58.7° |
| C38 | C37 | H36 | H37 | 118.1° | 120.1° |
| C37 | C38 | H38 | H39 | 119.0° | 120.1° |
| C37 | C38 | N39 | H40 | 73.7° | 65.1° |
| C37 | O36 | C35 | C34 | 43.8° | 58.7° |
| C37 | O36 | C35 | H34 | 76.9° | 61.3° |
| C37 | O36 | C35 | H35 | 164.5° | 178.6° |
| O36 | C37 | H36 | H37 | 118.0° | 120.1° |
| O36 | C37 | C38 | H38 | 123.5° | 176.8° |
| O36 | C37 | C38 | H39 | 117.1° | 63.2° |
| O36 | C35 | C34 | H34 | 120.6° | 120.0° |
| O36 | C35 | C34 | H35 | 120.7° | 119.9° |
| O36 | C35 | C34 | H33 | 109.7° | 63.0° |
| O36 | C35 | H34 | H35 | 117.9° | 120.2° |
| C35 | O36 | C37 | H36 | 71.5° | 61.3° |
| C35 | O36 | C37 | H37 | 169.8° | 178.7° |
| C34 | C35 | H34 | H35 | 118.0° | 120.0° |
| C35 | C34 | N39 | H40 | 68.5° | 65.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C13 | C14 | H6 | 43.5° | 71.1° |
| H4 | C13 | C14 | H7 | 163.7° | 49.6° |
| H5 | C13 | C14 | H6 | 74.6° | 48.8° |
| H5 | C13 | C14 | H7 | 45.6° | 169.6° |
| H10 | C19 | H11 | H12 | 120.0° | 119.9° |
| H15 | C24 | C25 | H17 | 122.6° | 0.0° |
| H15 | C24 | C25 | H18 | 3.1° | 120.0° |
| H16 | C24 | C25 | H17 | 3.2° | 120.0° |
| H16 | C24 | C25 | H18 | 116.3° | 0.0° |
| H19 | C28 | C29 | H21 | 120.7° | 119.9° |
| H19 | C28 | C29 | H22 | 1.1° | 0.0° |
| H20 | C28 | C29 | H21 | 1.5° | 0.0° |
| H20 | C28 | C29 | H22 | 118.1° | 120.0° |
| H23 | C30 | C31 | H31 | 2.3° | 120.0° |
| H23 | C30 | C31 | H32 | 116.9° | 0.0° |
| H24 | C30 | C31 | H31 | 121.9° | 0.0° |
| H24 | C30 | C31 | H32 | 2.7° | 120.0° |
| H27 | C9 | H28 | H29 | 119.9° | 120.0° |
| H33 | C34 | C35 | H34 | 10.9° | 177.0° |
| H33 | C34 | C35 | H35 | 129.6° | 56.9° |
| H33 | C34 | N39 | H40 | 175.6° | 174.9° |
| H36 | C37 | C38 | H38 | 2.9° | 56.9° |
| H36 | C37 | C38 | H39 | 122.2° | 176.9° |
| H37 | C37 | C38 | H38 | 115.9° | 63.2° |
| H37 | C37 | C38 | H39 | 3.5° | 56.8° |
| H38 | C38 | N39 | H40 | 166.0° | 54.8° |
| H39 | C38 | N39 | H40 | 46.7° | 174.9° |
