ZLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C9 | doub | 1.21Å | 1.23Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | N | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C8 | N | sing | 1.46Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.51Å | 1.50Å | |
| N3 | C18 | sing | 1.35Å | 1.32Å | Aromatic |
| N3 | C31 | sing | 1.37Å | 1.37Å | Aromatic |
| O | C2 | sing | 1.43Å | 1.41Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C17 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | N2 | doub | 1.30Å | 1.36Å | Aromatic |
| C31 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | sing | 1.47Å | 1.50Å | |
| N2 | C19 | sing | 1.35Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.47Å | |
| N1 | C14 | sing | 1.47Å | 1.50Å | |
| N1 | C15 | sing | 1.47Å | 1.49Å | |
| C20 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C29 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.56Å | 1.56Å | |
| C27 | C28 | sing | 1.57Å | 1.54Å | |
| C26 | C25 | sing | 1.55Å | 1.54Å | |
| C25 | C24 | sing | 1.56Å | 1.56Å | |
| C24 | C28 | sing | 1.57Å | 1.55Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| O1 | H29 | sing | 0.97Å | 0.95Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| N3 | H35 | sing | 0.97Å | 1.00Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C9 | C10 | 122.1° | 120.0° |
| O2 | C9 | N | 122.9° | 120.0° |
| O1 | C2 | O | 109.8° | 109.5° |
| O1 | C2 | C3 | 108.9° | 109.5° |
| O1 | C2 | C1 | 106.3° | 109.4° |
| C2 | O1 | H29 | 109.5° | 114.0° |
| C10 | C12 | C11 | 60.1° | 59.9° |
| C12 | C10 | C9 | 120.4° | 117.5° |
| C12 | C10 | C11 | 58.6° | 59.9° |
| C12 | C10 | H2 | 115.5° | 117.5° |
| C10 | C12 | H15 | 120.0° | 117.5° |
| C10 | C12 | H16 | 120.0° | 117.5° |
| C12 | C11 | C10 | 61.3° | 60.2° |
| C12 | C11 | C17 | 120.3° | 117.8° |
| C12 | C11 | C13 | 120.1° | 117.8° |
| C11 | C12 | H15 | 120.0° | 117.5° |
| C11 | C12 | H16 | 120.0° | 117.5° |
| C10 | C9 | N | 114.9° | 120.0° |
| C9 | C10 | C11 | 118.9° | 117.5° |
| C9 | C10 | H2 | 115.7° | 115.6° |
| C9 | N | C8 | 121.8° | 120.0° |
| C9 | N | H17 | 119.1° | 120.0° |
| C10 | C11 | C17 | 118.2° | 117.8° |
| C10 | C11 | C13 | 117.9° | 117.8° |
| C11 | C10 | H2 | 115.8° | 117.5° |
| N | C8 | C7 | 110.3° | 109.5° |
| N | C8 | C18 | 106.8° | 109.4° |
| C8 | N | H17 | 119.1° | 120.0° |
| N | C8 | H18 | 110.4° | 109.5° |
| C7 | C8 | C18 | 110.2° | 109.4° |
| C8 | C7 | C6 | 115.4° | 109.4° |
| C7 | C8 | H18 | 109.3° | 109.5° |
| C8 | C7 | H19 | 108.0° | 109.5° |
| C8 | C7 | H20 | 108.0° | 109.5° |
| C8 | C18 | N3 | 123.7° | 125.5° |
| C8 | C18 | N2 | 124.5° | 125.5° |
| C18 | C8 | H18 | 109.7° | 109.5° |
| C18 | N3 | C31 | 104.8° | 107.4° |
| N3 | C18 | N2 | 111.7° | 109.0° |
| C18 | N3 | H35 | 127.6° | 126.3° |
| N3 | C31 | C19 | 111.0° | 106.7° |
| C31 | N3 | H35 | 127.6° | 126.3° |
| N3 | C31 | H36 | 124.5° | 126.6° |
| O | C2 | C3 | 108.9° | 109.4° |
| O | C2 | C1 | 110.0° | 109.4° |
| C2 | O | H1 | 109.5° | 114.0° |
| C7 | C6 | C5 | 112.2° | 109.5° |
| C6 | C7 | H19 | 108.0° | 109.5° |
| C6 | C7 | H20 | 107.9° | 109.4° |
| C7 | C6 | H21 | 108.8° | 109.5° |
| C7 | C6 | H22 | 108.8° | 109.5° |
| C6 | C5 | C4 | 116.3° | 109.5° |
| C5 | C6 | H21 | 108.8° | 109.5° |
| C5 | C6 | H22 | 108.8° | 109.5° |
| C6 | C5 | H23 | 107.7° | 109.5° |
| C6 | C5 | H24 | 107.7° | 109.5° |
| C11 | C17 | C16 | 111.9° | 108.6° |
| C17 | C11 | C13 | 111.0° | 114.7° |
| C11 | C17 | H3 | 108.8° | 109.7° |
| C11 | C17 | H4 | 108.8° | 109.6° |
| C17 | C16 | N1 | 111.8° | 109.4° |
| C16 | C17 | H3 | 108.9° | 109.6° |
| C16 | C17 | H4 | 108.9° | 109.6° |
| C17 | C16 | H5 | 108.9° | 109.5° |
| C17 | C16 | H6 | 108.9° | 109.5° |
| C5 | C4 | C3 | 111.9° | 109.5° |
| C4 | C5 | H23 | 107.7° | 109.5° |
| C4 | C5 | H24 | 107.7° | 109.5° |
| C5 | C4 | H25 | 108.9° | 109.5° |
| C5 | C4 | H26 | 108.9° | 109.5° |
| C4 | C3 | C2 | 115.5° | 109.5° |
| C3 | C4 | H25 | 108.9° | 109.4° |
| C3 | C4 | H26 | 108.9° | 109.5° |
| C4 | C3 | H27 | 108.0° | 109.5° |
| C4 | C3 | H28 | 108.0° | 109.5° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C2 | C3 | H27 | 107.9° | 109.5° |
| C2 | C3 | H28 | 108.0° | 109.4° |
| C2 | C1 | C | 114.6° | 109.5° |
| C2 | C1 | H30 | 108.2° | 109.5° |
| C2 | C1 | H31 | 108.2° | 109.5° |
| C11 | C13 | C14 | 111.1° | 108.6° |
| C11 | C13 | H13 | 109.1° | 109.6° |
| C11 | C13 | H14 | 109.0° | 109.7° |
| C18 | N2 | C19 | 107.8° | 109.2° |
| C31 | C19 | N2 | 104.7° | 107.7° |
| C31 | C19 | C20 | 131.1° | 126.2° |
| C19 | C31 | H36 | 124.5° | 126.7° |
| C | C1 | H30 | 108.2° | 109.5° |
| C | C1 | H31 | 108.2° | 109.5° |
| C1 | C | H32 | 109.5° | 109.4° |
| C1 | C | H33 | 109.4° | 109.5° |
| C1 | C | H34 | 109.5° | 109.5° |
| C13 | C14 | N1 | 111.6° | 109.4° |
| C13 | C14 | H11 | 108.9° | 109.4° |
| C13 | C14 | H12 | 108.9° | 109.5° |
| C14 | C13 | H13 | 109.0° | 109.6° |
| C14 | C13 | H14 | 109.1° | 109.6° |
| C16 | N1 | C14 | 110.8° | 111.6° |
| C16 | N1 | C15 | 111.3° | 111.0° |
| N1 | C16 | H5 | 108.9° | 109.5° |
| N1 | C16 | H6 | 108.9° | 109.5° |
| N2 | C19 | C20 | 124.1° | 126.1° |
| C19 | C20 | C30 | 120.7° | 120.1° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C14 | N1 | C15 | 111.4° | 111.0° |
| N1 | C14 | H11 | 109.0° | 109.5° |
| N1 | C14 | H12 | 109.0° | 109.5° |
| N1 | C15 | H8 | 109.5° | 109.5° |
| N1 | C15 | H9 | 109.5° | 109.4° |
| N1 | C15 | H10 | 109.5° | 109.5° |
| C30 | C20 | C21 | 118.9° | 119.9° |
| C20 | C30 | C29 | 120.7° | 120.0° |
| C20 | C30 | H38 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.4° | 119.6° |
| C20 | C21 | H48 | 119.8° | 120.2° |
| C30 | C29 | C23 | 119.7° | 119.8° |
| C29 | C30 | H38 | 119.7° | 120.0° |
| C30 | C29 | H39 | 120.1° | 120.1° |
| C21 | C22 | C23 | 120.2° | 120.3° |
| C21 | C22 | C27 | 133.5° | 132.3° |
| C22 | C21 | H48 | 119.8° | 120.2° |
| C29 | C23 | C22 | 120.1° | 120.4° |
| C29 | C23 | C24 | 132.4° | 132.2° |
| C23 | C29 | H39 | 120.1° | 120.1° |
| C23 | C22 | C27 | 106.3° | 107.4° |
| C22 | C23 | C24 | 107.5° | 107.4° |
| C22 | C27 | C26 | 106.4° | 104.3° |
| C22 | C27 | C28 | 100.4° | 100.0° |
| C22 | C27 | H43 | 116.4° | 116.9° |
| C23 | C24 | C25 | 105.8° | 104.3° |
| C23 | C24 | C28 | 100.2° | 100.0° |
| C23 | C24 | H40 | 116.6° | 116.2° |
| C26 | C27 | C28 | 100.1° | 100.3° |
| C27 | C26 | C25 | 103.4° | 104.1° |
| C26 | C27 | H43 | 115.5° | 116.2° |
| C27 | C26 | H44 | 111.0° | 110.5° |
| C27 | C26 | H45 | 111.0° | 110.5° |
| C27 | C28 | C24 | 94.1° | 94.2° |
| C27 | C28 | H41 | 113.2° | 112.4° |
| C27 | C28 | H42 | 113.1° | 112.4° |
| C28 | C27 | H43 | 115.8° | 116.6° |
| C26 | C25 | C24 | 103.4° | 104.0° |
| C25 | C26 | H44 | 111.0° | 110.5° |
| C25 | C26 | H45 | 111.0° | 110.5° |
| C26 | C25 | H46 | 111.0° | 110.5° |
| C26 | C25 | H47 | 111.0° | 110.5° |
| C25 | C24 | C28 | 100.2° | 100.3° |
| C25 | C24 | H40 | 115.8° | 116.8° |
| C24 | C25 | H46 | 110.9° | 110.5° |
| C24 | C25 | H47 | 111.0° | 110.5° |
| C28 | C24 | H40 | 115.9° | 116.6° |
| C24 | C28 | H41 | 113.1° | 112.4° |
| C24 | C28 | H42 | 113.2° | 112.3° |
| H3 | C17 | H4 | 109.5° | 109.8° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.4° |
| H8 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.7° |
| H15 | C12 | H16 | 109.5° | 115.6° |
| H19 | C7 | H20 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.5° | 109.4° |
| H23 | C5 | H24 | 109.5° | 109.4° |
| H25 | C4 | H26 | 109.4° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.4° |
| H32 | C | H33 | 109.5° | 109.4° |
| H32 | C | H34 | 109.5° | 109.5° |
| H33 | C | H34 | 109.5° | 109.5° |
| H41 | C28 | H42 | 109.5° | 112.0° |
| H44 | C26 | H45 | 109.4° | 110.5° |
| H46 | C25 | H47 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C9 | C10 | C12 | 2.2° | 27.6° |
| O2 | C9 | C10 | N | 178.2° | 180.0° |
| O2 | C9 | C10 | C11 | 66.3° | 96.1° |
| O2 | C9 | N | C8 | 6.6° | 0.0° |
| O2 | C9 | C10 | H2 | 148.8° | 118.2° |
| O2 | C9 | N | H17 | 173.4° | 180.0° |
| O1 | C2 | O | C3 | 119.1° | 120.0° |
| O1 | C2 | O | C1 | 116.7° | 120.0° |
| O1 | C2 | C3 | C4 | 64.5° | 60.0° |
| O1 | C2 | C3 | C1 | 117.8° | 120.0° |
| O1 | C2 | C1 | C | 173.7° | 60.0° |
| O1 | C2 | O | H1 | 180.0° | 179.9° |
| O1 | C2 | C3 | H27 | 56.4° | 180.0° |
| O1 | C2 | C3 | H28 | 174.6° | 60.0° |
| O1 | C2 | C1 | H30 | 65.6° | 180.0° |
| O1 | C2 | C1 | H31 | 52.9° | 60.0° |
| C10 | C12 | C11 | H15 | 109.5° | 107.4° |
| C10 | C12 | C11 | H16 | 109.5° | 107.4° |
| C12 | C10 | C9 | C11 | 68.5° | 68.5° |
| C12 | C10 | C9 | H2 | 146.6° | 145.8° |
| C12 | C10 | C9 | N | 176.0° | 152.4° |
| C12 | C10 | C11 | H2 | 105.3° | 107.5° |
| C12 | C10 | C11 | C17 | 111.1° | 107.8° |
| C10 | C12 | C11 | C13 | 107.4° | 107.8° |
| C10 | C12 | H15 | H16 | 144.7° | 145.7° |
| C12 | C11 | C17 | C13 | 147.8° | 145.5° |
| C12 | C11 | C17 | C16 | 160.0° | 163.0° |
| C12 | C11 | C13 | C14 | 159.2° | 163.1° |
| C12 | C11 | C17 | H3 | 79.6° | 77.2° |
| C12 | C11 | C17 | H4 | 39.7° | 43.4° |
| C12 | C11 | C13 | H13 | 38.9° | 43.3° |
| C12 | C11 | C13 | H14 | 80.6° | 77.2° |
| C11 | C12 | H15 | H16 | 144.7° | 145.8° |
| C9 | C10 | C11 | H2 | 144.8° | 145.1° |
| C10 | C9 | N | C8 | 171.6° | 180.0° |
| C9 | C10 | C11 | C17 | 1.2° | 0.4° |
| C9 | C10 | C11 | C13 | 139.3° | 144.7° |
| C9 | C10 | C12 | H15 | 143.1° | 145.1° |
| C9 | C10 | C12 | H16 | 2.1° | 0.1° |
| C10 | C9 | N | H17 | 8.4° | 0.0° |
| N | C9 | C10 | C11 | 115.5° | 83.9° |
| C9 | N | C8 | H17 | 180.0° | 180.0° |
| C9 | N | C8 | C7 | 144.3° | 59.9° |
| C9 | N | C8 | C18 | 95.9° | 60.0° |
| N | C9 | C10 | H2 | 29.4° | 61.8° |
| C9 | N | C8 | H18 | 23.4° | 180.0° |
| C10 | C11 | C17 | C13 | 140.8° | 145.4° |
| C10 | C11 | C17 | C16 | 88.5° | 94.0° |
| C10 | C11 | C13 | C14 | 87.9° | 94.0° |
| C10 | C11 | C17 | H3 | 151.1° | 146.2° |
| C10 | C11 | C17 | H4 | 31.8° | 25.7° |
| C10 | C11 | C13 | H13 | 32.3° | 25.7° |
| C10 | C11 | C13 | H14 | 151.8° | 146.2° |
| N | C8 | C7 | C18 | 117.7° | 119.9° |
| N | C8 | C7 | H18 | 121.6° | 120.1° |
| N | C8 | C18 | H18 | 119.7° | 120.0° |
| N | C8 | C18 | N3 | 139.9° | 5.3° |
| N | C8 | C7 | C6 | 172.4° | 65.1° |
| N | C8 | C18 | N2 | 43.2° | 175.0° |
| N | C8 | C7 | H19 | 51.5° | 55.0° |
| N | C8 | C7 | H20 | 66.7° | 175.0° |
| C7 | C8 | C18 | H18 | 120.5° | 120.0° |
| C7 | C8 | C18 | N3 | 100.2° | 125.3° |
| C8 | C7 | C6 | H19 | 120.9° | 120.0° |
| C8 | C7 | C6 | H20 | 120.9° | 120.0° |
| C8 | C7 | C6 | C5 | 177.2° | 180.0° |
| C7 | C8 | C18 | N2 | 76.7° | 55.1° |
| C7 | C8 | N | H17 | 35.7° | 120.1° |
| C8 | C7 | H19 | H20 | 117.3° | 120.1° |
| C8 | C7 | C6 | H21 | 56.7° | 60.0° |
| C8 | C7 | C6 | H22 | 62.4° | 60.0° |
| C8 | C18 | N3 | N2 | 177.3° | 179.7° |
| C8 | C18 | N3 | C31 | 176.9° | 179.9° |
| C18 | C8 | C7 | C6 | 69.8° | 175.0° |
| C8 | C18 | N2 | C19 | 176.8° | 179.9° |
| C18 | C8 | N | H17 | 84.1° | 120.0° |
| C18 | C8 | C7 | H19 | 169.3° | 65.0° |
| C18 | C8 | C7 | H20 | 51.0° | 55.1° |
| C8 | C18 | N3 | H35 | 3.2° | 0.0° |
| C18 | N3 | C31 | H35 | 180.0° | 180.0° |
| C18 | N3 | C31 | C19 | 0.2° | 0.1° |
| N3 | C18 | N2 | C19 | 0.4° | 0.4° |
| N3 | C18 | C8 | H18 | 20.2° | 114.7° |
| C18 | N3 | C31 | H36 | 179.8° | 180.0° |
| C31 | N3 | C18 | N2 | 0.4° | 0.2° |
| N3 | C31 | C19 | H36 | 180.0° | 179.9° |
| N3 | C31 | C19 | N2 | 0.1° | 0.3° |
| N3 | C31 | C19 | C20 | 176.3° | 180.0° |
| O | C2 | C3 | C4 | 55.2° | 60.0° |
| O | C2 | C3 | C1 | 122.5° | 119.9° |
| O | C2 | C1 | C | 67.5° | 60.0° |
| O | C2 | C3 | H27 | 176.1° | 60.0° |
| O | C2 | C3 | H28 | 65.7° | 180.0° |
| O | C2 | O1 | H29 | 180.0° | 180.0° |
| O | C2 | C1 | H30 | 53.3° | 60.0° |
| O | C2 | C1 | H31 | 171.8° | 180.0° |
| C7 | C6 | C5 | H21 | 120.4° | 120.0° |
| C7 | C6 | C5 | H22 | 120.4° | 120.0° |
| C7 | C6 | C5 | C4 | 171.6° | 180.0° |
| C6 | C7 | C8 | H18 | 50.9° | 55.0° |
| C6 | C7 | H19 | H20 | 117.3° | 119.9° |
| C7 | C6 | H21 | H22 | 118.7° | 120.0° |
| C7 | C6 | C5 | H23 | 50.6° | 60.0° |
| C7 | C6 | C5 | H24 | 67.4° | 60.0° |
| C6 | C5 | C4 | H23 | 121.0° | 120.0° |
| C6 | C5 | C4 | H24 | 121.0° | 120.0° |
| C6 | C5 | C4 | C3 | 179.7° | 180.0° |
| C5 | C6 | C7 | H19 | 61.9° | 60.0° |
| C5 | C6 | C7 | H20 | 56.3° | 60.0° |
| C5 | C6 | H21 | H22 | 118.8° | 120.0° |
| C6 | C5 | H23 | H24 | 116.9° | 120.0° |
| C6 | C5 | C4 | H25 | 59.3° | 60.0° |
| C6 | C5 | C4 | H26 | 59.9° | 60.0° |
| C11 | C17 | C16 | H3 | 120.4° | 119.8° |
| C11 | C17 | C16 | H4 | 120.3° | 119.7° |
| C17 | C11 | C13 | C14 | 53.0° | 51.4° |
| C11 | C17 | C16 | N1 | 54.3° | 55.6° |
| C17 | C11 | C10 | H2 | 143.6° | 144.7° |
| C11 | C17 | H3 | H4 | 118.9° | 120.4° |
| C11 | C17 | C16 | H5 | 174.6° | 175.6° |
| C11 | C17 | C16 | H6 | 66.1° | 64.3° |
| C17 | C11 | C13 | H13 | 173.2° | 171.2° |
| C17 | C11 | C13 | H14 | 67.3° | 68.3° |
| C17 | C11 | C12 | H15 | 142.8° | 144.7° |
| C17 | C11 | C12 | H16 | 1.8° | 0.4° |
| C16 | C17 | C11 | C13 | 52.2° | 51.5° |
| C17 | C16 | N1 | H5 | 120.3° | 120.0° |
| C17 | C16 | N1 | H6 | 120.4° | 120.0° |
| C17 | C16 | N1 | C14 | 56.6° | 64.9° |
| C17 | C16 | N1 | C15 | 178.9° | 170.8° |
| C16 | C17 | H3 | H4 | 118.9° | 120.4° |
| C17 | C16 | H5 | H6 | 118.9° | 120.0° |
| C5 | C4 | C3 | H25 | 120.4° | 120.0° |
| C5 | C4 | C3 | H26 | 120.4° | 120.1° |
| C5 | C4 | C3 | C2 | 164.4° | 179.9° |
| C4 | C5 | C6 | H21 | 68.0° | 60.0° |
| C4 | C5 | C6 | H22 | 51.2° | 60.0° |
| C4 | C5 | H23 | H24 | 116.9° | 120.0° |
| C5 | C4 | H25 | H26 | 118.9° | 120.1° |
| C5 | C4 | C3 | H27 | 43.5° | 60.0° |
| C5 | C4 | C3 | H28 | 74.7° | 60.0° |
| C4 | C3 | C2 | H27 | 120.9° | 120.0° |
| C4 | C3 | C2 | H28 | 120.9° | 120.0° |
| C4 | C3 | C2 | C1 | 177.7° | 180.0° |
| C3 | C4 | C5 | H23 | 59.3° | 60.0° |
| C3 | C4 | C5 | H24 | 58.7° | 60.0° |
| C3 | C4 | H25 | H26 | 118.9° | 120.0° |
| C4 | C3 | H27 | H28 | 117.3° | 120.0° |
| C3 | C2 | C1 | C | 54.4° | 179.9° |
| C3 | C2 | O | H1 | 60.9° | 60.0° |
| C2 | C3 | C4 | H25 | 75.2° | 60.0° |
| C2 | C3 | C4 | H26 | 44.0° | 60.0° |
| C2 | C3 | H27 | H28 | 117.3° | 120.0° |
| C3 | C2 | O1 | H29 | 60.8° | 60.0° |
| C3 | C2 | C1 | H30 | 175.1° | 59.9° |
| C3 | C2 | C1 | H31 | 66.3° | 60.0° |
| C2 | C1 | C | H30 | 120.7° | 120.0° |
| C2 | C1 | C | H31 | 120.7° | 120.0° |
| C1 | C2 | O | H1 | 63.3° | 60.0° |
| C1 | C2 | C3 | H27 | 61.4° | 59.9° |
| C1 | C2 | C3 | H28 | 56.8° | 60.1° |
| C1 | C2 | O1 | H29 | 61.0° | 60.1° |
| C2 | C1 | H30 | H31 | 117.7° | 120.0° |
| C2 | C1 | C | H32 | 180.0° | 180.0° |
| C2 | C1 | C | H33 | 60.0° | 60.0° |
| C2 | C1 | C | H34 | 60.0° | 60.1° |
| C11 | C13 | C14 | H13 | 120.3° | 119.7° |
| C11 | C13 | C14 | H14 | 120.2° | 119.8° |
| C11 | C13 | C14 | N1 | 56.2° | 55.6° |
| C13 | C11 | C10 | H2 | 5.6° | 0.3° |
| C13 | C11 | C17 | H3 | 68.2° | 68.3° |
| C13 | C11 | C17 | H4 | 172.6° | 171.1° |
| C11 | C13 | C14 | H11 | 64.1° | 175.6° |
| C11 | C13 | C14 | H12 | 176.5° | 64.4° |
| C11 | C13 | H13 | H14 | 119.2° | 120.5° |
| C13 | C11 | C12 | H15 | 2.0° | 0.3° |
| C13 | C11 | C12 | H16 | 143.1° | 144.8° |
| C18 | N2 | C19 | C31 | 0.3° | 0.4° |
| C18 | N2 | C19 | C20 | 176.8° | 179.8° |
| N2 | C18 | C8 | H18 | 162.9° | 64.9° |
| N2 | C18 | N3 | H35 | 179.6° | 179.8° |
| C31 | C19 | N2 | C20 | 176.5° | 179.8° |
| C31 | C19 | C20 | C30 | 1.2° | 5.0° |
| C31 | C19 | C20 | C21 | 179.4° | 175.3° |
| C19 | C31 | N3 | H35 | 179.8° | 180.0° |
| C | C1 | H30 | H31 | 117.7° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H34 | 120.0° | 120.0° |
| C1 | C | H33 | H34 | 120.0° | 120.1° |
| C13 | C14 | N1 | C16 | 57.7° | 64.9° |
| C13 | C14 | N1 | H11 | 120.3° | 119.9° |
| C13 | C14 | N1 | H12 | 120.3° | 120.0° |
| C13 | C14 | N1 | C15 | 177.9° | 170.8° |
| C13 | C14 | H11 | H12 | 119.0° | 120.0° |
| C14 | C13 | H13 | H14 | 119.2° | 120.4° |
| C16 | N1 | C14 | C15 | 124.4° | 124.4° |
| N1 | C16 | C17 | H3 | 66.1° | 64.2° |
| N1 | C16 | C17 | H4 | 174.6° | 175.3° |
| N1 | C16 | H5 | H6 | 119.0° | 120.0° |
| C16 | N1 | C15 | H8 | 180.0° | 60.0° |
| C16 | N1 | C15 | H9 | 60.0° | 180.0° |
| C16 | N1 | C15 | H10 | 60.0° | 60.0° |
| C16 | N1 | C14 | H11 | 62.6° | 175.2° |
| C16 | N1 | C14 | H12 | 178.0° | 55.2° |
| N2 | C19 | C20 | C30 | 174.4° | 174.7° |
| N2 | C19 | C20 | C21 | 5.1° | 5.0° |
| N2 | C19 | C31 | H36 | 179.9° | 179.8° |
| C19 | C20 | C30 | C21 | 179.4° | 179.7° |
| C19 | C20 | C30 | C29 | 179.1° | 180.0° |
| C19 | C20 | C21 | C22 | 179.1° | 179.7° |
| C20 | C19 | C31 | H36 | 3.7° | 0.1° |
| C19 | C20 | C30 | H38 | 0.9° | 0.1° |
| C19 | C20 | C21 | H48 | 0.8° | 0.0° |
| C14 | N1 | C16 | H5 | 176.9° | 175.2° |
| C14 | N1 | C16 | H6 | 63.8° | 55.1° |
| C14 | N1 | C15 | H8 | 55.8° | 64.6° |
| C14 | N1 | C15 | H9 | 175.8° | 55.3° |
| C14 | N1 | C15 | H10 | 64.2° | 175.3° |
| N1 | C14 | H11 | H12 | 119.1° | 120.1° |
| N1 | C14 | C13 | H13 | 176.5° | 175.4° |
| N1 | C14 | C13 | H14 | 64.0° | 64.2° |
| C15 | N1 | C16 | H5 | 58.6° | 50.8° |
| C15 | N1 | C16 | H6 | 60.8° | 69.3° |
| N1 | C15 | H8 | H9 | 120.0° | 119.9° |
| N1 | C15 | H8 | H10 | 120.0° | 120.1° |
| N1 | C15 | H9 | H10 | 120.0° | 120.0° |
| C15 | N1 | C14 | H11 | 61.8° | 50.8° |
| C15 | N1 | C14 | H12 | 57.6° | 69.2° |
| C20 | C30 | C29 | H38 | 180.0° | 179.9° |
| C30 | C20 | C21 | C22 | 0.3° | 0.6° |
| C20 | C30 | C29 | C23 | 0.3° | 0.1° |
| C20 | C30 | C29 | H39 | 179.7° | 180.0° |
| C30 | C20 | C21 | H48 | 179.7° | 179.7° |
| C21 | C20 | C30 | C29 | 0.3° | 0.3° |
| C20 | C21 | C22 | H48 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.3° | 0.6° |
| C20 | C21 | C22 | C27 | 179.8° | 179.8° |
| C21 | C20 | C30 | H38 | 179.7° | 179.8° |
| C30 | C29 | C23 | H39 | 180.0° | 179.9° |
| C30 | C29 | C23 | C22 | 0.3° | 0.1° |
| C30 | C29 | C23 | C24 | 178.2° | 180.0° |
| C21 | C22 | C23 | C29 | 0.3° | 0.4° |
| C21 | C22 | C23 | C27 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 178.5° | 179.7° |
| C21 | C22 | C27 | C26 | 111.1° | 110.4° |
| C21 | C22 | C27 | C28 | 145.0° | 146.3° |
| C21 | C22 | C27 | H43 | 19.2° | 19.5° |
| C29 | C23 | C22 | C24 | 178.8° | 179.9° |
| C29 | C23 | C22 | C27 | 179.9° | 179.9° |
| C29 | C23 | C24 | C25 | 110.3° | 109.9° |
| C29 | C23 | C24 | C28 | 146.0° | 146.7° |
| C23 | C29 | C30 | H38 | 179.7° | 180.0° |
| C29 | C23 | C24 | H40 | 20.0° | 20.2° |
| C23 | C22 | C27 | C26 | 69.3° | 70.0° |
| C23 | C22 | C27 | C28 | 34.6° | 33.4° |
| C22 | C23 | C24 | C25 | 71.1° | 70.0° |
| C22 | C23 | C24 | C28 | 32.6° | 33.4° |
| C22 | C23 | C29 | H39 | 179.7° | 180.0° |
| C22 | C23 | C24 | H40 | 158.6° | 159.9° |
| C23 | C22 | C27 | H43 | 160.4° | 160.1° |
| C23 | C22 | C21 | H48 | 179.7° | 179.7° |
| C27 | C22 | C23 | C24 | 1.1° | 0.0° |
| C22 | C27 | C26 | C28 | 104.1° | 103.2° |
| C22 | C27 | C26 | H43 | 130.8° | 130.3° |
| C22 | C27 | C28 | H43 | 126.3° | 127.0° |
| C22 | C27 | C26 | C25 | 68.0° | 67.6° |
| C22 | C27 | C28 | C24 | 51.5° | 50.5° |
| C22 | C27 | C28 | H41 | 65.8° | 166.8° |
| C22 | C27 | C28 | H42 | 168.9° | 65.8° |
| C22 | C27 | C26 | H44 | 172.9° | 173.8° |
| C22 | C27 | C26 | H45 | 51.0° | 51.1° |
| C27 | C22 | C21 | H48 | 0.2° | 0.1° |
| C23 | C24 | C28 | C27 | 50.6° | 50.5° |
| C23 | C24 | C25 | C26 | 67.3° | 67.6° |
| C23 | C24 | C25 | C28 | 103.7° | 103.2° |
| C23 | C24 | C25 | H40 | 130.8° | 129.8° |
| C23 | C24 | C28 | H40 | 126.4° | 126.2° |
| C24 | C23 | C29 | H39 | 1.8° | 0.1° |
| C23 | C24 | C28 | H41 | 66.8° | 166.8° |
| C23 | C24 | C28 | H42 | 167.9° | 65.8° |
| C23 | C24 | C25 | H46 | 173.6° | 51.1° |
| C23 | C24 | C25 | H47 | 51.7° | 173.8° |
| C26 | C27 | C28 | H43 | 124.8° | 126.4° |
| C27 | C26 | C25 | H44 | 119.0° | 118.6° |
| C27 | C26 | C25 | H45 | 119.0° | 118.6° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C27 | C28 | C24 | 57.4° | 56.1° |
| C26 | C27 | C28 | H41 | 174.7° | 60.2° |
| C26 | C27 | C28 | H42 | 60.0° | 172.4° |
| C27 | C26 | H44 | H45 | 122.8° | 122.7° |
| C27 | C26 | C25 | H46 | 118.8° | 118.6° |
| C27 | C26 | C25 | H47 | 119.2° | 118.6° |
| C28 | C27 | C26 | C25 | 36.0° | 35.6° |
| C27 | C28 | C24 | C25 | 57.7° | 56.1° |
| C27 | C28 | C24 | H41 | 117.4° | 116.3° |
| C27 | C28 | C24 | H42 | 117.3° | 116.3° |
| C27 | C28 | C24 | H40 | 177.0° | 176.7° |
| C27 | C28 | H41 | H42 | 127.2° | 127.6° |
| C28 | C27 | C26 | H44 | 83.0° | 83.1° |
| C28 | C27 | C26 | H45 | 155.1° | 154.3° |
| C26 | C25 | C24 | H46 | 119.0° | 118.6° |
| C26 | C25 | C24 | H47 | 119.0° | 118.6° |
| C26 | C25 | C24 | C28 | 36.4° | 35.6° |
| C26 | C25 | C24 | H40 | 161.9° | 162.7° |
| C25 | C26 | C27 | H43 | 161.1° | 162.2° |
| C25 | C26 | H44 | H45 | 122.8° | 122.7° |
| C26 | C25 | H46 | H47 | 122.8° | 122.7° |
| C25 | C24 | C28 | H40 | 125.3° | 127.2° |
| C25 | C24 | C28 | H41 | 175.1° | 60.2° |
| C25 | C24 | C28 | H42 | 59.6° | 172.5° |
| C24 | C25 | C26 | H44 | 119.3° | 118.6° |
| C24 | C25 | C26 | H45 | 118.8° | 118.7° |
| C24 | C25 | H46 | H47 | 122.8° | 122.7° |
| C24 | C28 | H41 | H42 | 127.2° | 127.5° |
| C24 | C28 | C27 | H43 | 177.8° | 177.5° |
| C28 | C24 | C25 | H46 | 82.6° | 154.3° |
| C28 | C24 | C25 | H47 | 155.4° | 83.0° |
| H2 | C10 | C12 | H15 | 3.7° | 0.0° |
| H2 | C10 | C12 | H16 | 144.6° | 145.0° |
| H3 | C17 | C16 | H5 | 54.3° | 55.8° |
| H3 | C17 | C16 | H6 | 173.6° | 175.8° |
| H4 | C17 | C16 | H5 | 65.0° | 64.7° |
| H4 | C17 | C16 | H6 | 54.3° | 55.3° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
| H11 | C14 | C13 | H13 | 56.2° | 64.6° |
| H11 | C14 | C13 | H14 | 175.7° | 55.8° |
| H12 | C14 | C13 | H13 | 63.2° | 55.3° |
| H12 | C14 | C13 | H14 | 56.3° | 175.8° |
| H17 | N | C8 | H18 | 156.6° | 0.0° |
| H18 | C8 | C7 | H19 | 70.0° | 175.0° |
| H18 | C8 | C7 | H20 | 171.7° | 64.9° |
| H19 | C7 | C6 | H21 | 177.7° | 180.0° |
| H19 | C7 | C6 | H22 | 58.5° | 60.0° |
| H20 | C7 | C6 | H21 | 64.1° | 60.0° |
| H20 | C7 | C6 | H22 | 176.7° | 180.0° |
| H21 | C6 | C5 | H23 | 171.1° | 180.0° |
| H21 | C6 | C5 | H24 | 53.0° | 60.0° |
| H22 | C6 | C5 | H23 | 69.7° | 60.0° |
| H22 | C6 | C5 | H24 | 172.2° | NaN° |
| H23 | C5 | C4 | H25 | 179.7° | 179.9° |
| H23 | C5 | C4 | H26 | 61.0° | 60.0° |
| H24 | C5 | C4 | H25 | 61.7° | 60.0° |
| H24 | C5 | C4 | H26 | 179.1° | 180.0° |
| H25 | C4 | C3 | H27 | 163.9° | 180.0° |
| H25 | C4 | C3 | H28 | 45.6° | 60.0° |
| H26 | C4 | C3 | H27 | 76.8° | 60.1° |
| H26 | C4 | C3 | H28 | 164.9° | 179.9° |
| H30 | C1 | C | H32 | 59.3° | 60.0° |
| H30 | C1 | C | H33 | 179.3° | 179.9° |
| H30 | C1 | C | H34 | 60.7° | 60.0° |
| H31 | C1 | C | H32 | 59.2° | 59.9° |
| H31 | C1 | C | H33 | 60.7° | 60.0° |
| H31 | C1 | C | H34 | 179.3° | 179.9° |
| H32 | C | H33 | H34 | 120.0° | 120.0° |
| H35 | N3 | C31 | H36 | 0.2° | 0.1° |
| H38 | C30 | C29 | H39 | 0.3° | 0.1° |
| H40 | C24 | C28 | H41 | 59.6° | 67.0° |
| H40 | C24 | C28 | H42 | 65.7° | 60.3° |
| H40 | C24 | C25 | H46 | 42.8° | 78.7° |
| H40 | C24 | C25 | H47 | 79.1° | 44.0° |
| H41 | C28 | C27 | H43 | 60.4° | 66.2° |
| H42 | C28 | C27 | H43 | 64.9° | 61.2° |
| H43 | C27 | C26 | H44 | 42.1° | 43.5° |
| H43 | C27 | C26 | H45 | 79.8° | 79.1° |
| H44 | C26 | C25 | H46 | 0.3° | 122.8° |
| H44 | C26 | C25 | H47 | 121.7° | 0.0° |
| H45 | C26 | C25 | H46 | 122.2° | 0.0° |
| H45 | C26 | C25 | H47 | 0.2° | 122.7° |
