PRD_001180
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C17 | C22 | sing | 1.51Å | 1.53Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | N24 | sing | 1.35Å | 1.37Å | |
| N24 | C25 | sing | 1.46Å | 1.44Å | |
| N16 | P13 | sing | 1.68Å | 1.72Å | |
| P13 | O14 | doub | 1.48Å | 1.51Å | |
| P13 | O15 | sing | 1.61Å | 1.51Å | |
| P13 | C12 | sing | 1.82Å | 1.82Å | |
| C12 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C9 | sing | 1.35Å | 1.36Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | O8 | sing | 1.35Å | 1.36Å | |
| O8 | C7 | sing | 1.45Å | 1.45Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| N16 | H1 | sing | 1.01Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| N24 | H12 | sing | 0.97Å | 1.00Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| O15 | H26 | sing | 0.97Å | 0.95Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.08Å | 1.08Å | |
| C2 | H32 | sing | 1.08Å | 1.08Å | |
| C3 | H33 | sing | 1.08Å | 1.08Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | C20 | 110.4° | 109.5° |
| C21 | C19 | C18 | 110.3° | 109.5° |
| C21 | C19 | H5 | 107.9° | 109.4° |
| C19 | C21 | H9 | 109.5° | 109.5° |
| C19 | C21 | H10 | 109.4° | 109.5° |
| C19 | C21 | H11 | 109.5° | 109.5° |
| C20 | C19 | C18 | 112.2° | 109.5° |
| C20 | C19 | H5 | 107.9° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.4° | 109.5° |
| C19 | C20 | H8 | 109.4° | 109.5° |
| C19 | C18 | C17 | 114.7° | 109.5° |
| C19 | C18 | H3 | 108.2° | 109.5° |
| C19 | C18 | H4 | 108.2° | 109.4° |
| C18 | C19 | H5 | 107.9° | 109.5° |
| C28 | C27 | C26 | 108.2° | 109.5° |
| C28 | C27 | C30 | 108.8° | 109.4° |
| C28 | C27 | C29 | 109.0° | 109.4° |
| C27 | C28 | H23 | 109.5° | 109.5° |
| C27 | C28 | H24 | 109.4° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C18 | C17 | C22 | 109.4° | 109.5° |
| C18 | C17 | N16 | 106.7° | 109.5° |
| C18 | C17 | H2 | 109.1° | 109.5° |
| C17 | C18 | H3 | 108.1° | 109.5° |
| C17 | C18 | H4 | 108.2° | 109.5° |
| C27 | C26 | C25 | 116.3° | 109.5° |
| C26 | C27 | C30 | 109.6° | 109.5° |
| C26 | C27 | C29 | 111.2° | 109.5° |
| C27 | C26 | H15 | 107.7° | 109.5° |
| C27 | C26 | H16 | 107.8° | 109.4° |
| C26 | C25 | N24 | 108.0° | 109.4° |
| C26 | C25 | H13 | 109.8° | 109.5° |
| C26 | C25 | H14 | 109.8° | 109.4° |
| C25 | C26 | H15 | 107.7° | 109.5° |
| C25 | C26 | H16 | 107.8° | 109.5° |
| C30 | C27 | C29 | 110.0° | 109.5° |
| C27 | C30 | H20 | 109.5° | 109.4° |
| C27 | C30 | H21 | 109.4° | 109.5° |
| C27 | C30 | H22 | 109.5° | 109.5° |
| C27 | C29 | H17 | 109.5° | 109.5° |
| C27 | C29 | H18 | 109.5° | 109.5° |
| C27 | C29 | H19 | 109.5° | 109.5° |
| C22 | C17 | N16 | 112.7° | 109.5° |
| C17 | C22 | O23 | 121.8° | 120.0° |
| C17 | C22 | N24 | 114.6° | 120.0° |
| C22 | C17 | H2 | 109.1° | 109.5° |
| C17 | N16 | P13 | 119.4° | 111.0° |
| C17 | N16 | H1 | 106.9° | 111.0° |
| N16 | C17 | H2 | 109.7° | 109.5° |
| O23 | C22 | N24 | 123.5° | 120.0° |
| C22 | N24 | C25 | 122.4° | 120.0° |
| C22 | N24 | H12 | 118.8° | 120.0° |
| C25 | N24 | H12 | 118.8° | 120.0° |
| N24 | C25 | H13 | 109.9° | 109.5° |
| N24 | C25 | H14 | 109.9° | 109.5° |
| N16 | P13 | O14 | 111.3° | 109.5° |
| N16 | P13 | O15 | 109.3° | 109.4° |
| N16 | P13 | C12 | 100.0° | 109.5° |
| P13 | N16 | H1 | 107.0° | 111.0° |
| O14 | P13 | O15 | 115.3° | 109.5° |
| O14 | P13 | C12 | 109.3° | 109.5° |
| O15 | P13 | C12 | 110.6° | 109.5° |
| P13 | O15 | H26 | 109.5° | 114.0° |
| P13 | C12 | N11 | 108.3° | 109.5° |
| P13 | C12 | H27 | 109.8° | 109.5° |
| P13 | C12 | H28 | 109.8° | 109.5° |
| C12 | N11 | C9 | 122.2° | 120.0° |
| N11 | C12 | H27 | 109.7° | 109.5° |
| N11 | C12 | H28 | 109.7° | 109.4° |
| C12 | N11 | H36 | 118.9° | 120.0° |
| N11 | C9 | O10 | 122.2° | 120.0° |
| N11 | C9 | O8 | 116.1° | 120.0° |
| C9 | N11 | H36 | 118.9° | 120.0° |
| O10 | C9 | O8 | 121.1° | 120.0° |
| C9 | O8 | C7 | 126.2° | 117.0° |
| O8 | C7 | C6 | 110.7° | 109.5° |
| O8 | C7 | H29 | 109.2° | 109.5° |
| O8 | C7 | H30 | 109.2° | 109.5° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C5 | C4 | H34 | 119.8° | 120.0° |
| C4 | C5 | H35 | 119.8° | 120.0° |
| C5 | C6 | C7 | 121.4° | 120.0° |
| C5 | C6 | C1 | 118.7° | 120.0° |
| C6 | C5 | H35 | 119.8° | 120.0° |
| C7 | C6 | C1 | 119.9° | 120.0° |
| C6 | C7 | H29 | 109.2° | 109.5° |
| C6 | C7 | H30 | 109.2° | 109.5° |
| C4 | C3 | C2 | 119.7° | 120.0° |
| C4 | C3 | H33 | 120.1° | 120.0° |
| C3 | C4 | H34 | 119.9° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.0° |
| C6 | C1 | H31 | 119.6° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C3 | C2 | H32 | 120.0° | 120.0° |
| C2 | C3 | H33 | 120.1° | 120.0° |
| C2 | C1 | H31 | 119.6° | 120.0° |
| C1 | C2 | H32 | 120.0° | 120.0° |
| H3 | C18 | H4 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H8 | 109.4° | 109.4° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.4° | 109.4° |
| H10 | C21 | H11 | 109.5° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.4° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H22 | 109.4° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.4° |
| H23 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C7 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | C20 | C18 | 123.5° | 120.0° |
| C21 | C19 | C20 | H5 | 117.8° | 119.9° |
| C21 | C19 | C18 | H5 | 117.7° | 120.0° |
| C21 | C19 | C18 | C17 | 165.9° | 65.9° |
| C21 | C19 | C18 | H3 | 45.1° | 174.1° |
| C21 | C19 | C18 | H4 | 73.3° | 54.1° |
| C21 | C19 | C20 | H6 | 180.0° | 60.0° |
| C21 | C19 | C20 | H7 | 60.0° | 60.0° |
| C21 | C19 | C20 | H8 | 60.0° | 180.0° |
| C19 | C21 | H9 | H10 | 120.0° | 120.1° |
| C19 | C21 | H9 | H11 | 120.0° | 120.0° |
| C19 | C21 | H10 | H11 | 120.0° | 120.0° |
| C20 | C19 | C18 | H5 | 118.8° | 120.0° |
| C20 | C19 | C18 | C17 | 70.6° | 174.1° |
| C20 | C19 | C18 | H3 | 168.7° | 54.1° |
| C20 | C19 | C18 | H4 | 50.2° | 65.9° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H8 | 120.0° | 119.9° |
| C19 | C20 | H7 | H8 | 120.0° | 120.0° |
| C20 | C19 | C21 | H9 | 180.0° | 60.0° |
| C20 | C19 | C21 | H10 | 60.0° | 180.0° |
| C20 | C19 | C21 | H11 | 60.0° | 60.0° |
| C19 | C18 | C17 | H3 | 120.8° | 120.0° |
| C19 | C18 | C17 | H4 | 120.8° | 120.0° |
| C19 | C18 | C17 | C22 | 63.0° | 175.9° |
| C19 | C18 | C17 | N16 | 174.7° | 64.1° |
| C19 | C18 | C17 | H2 | 56.3° | 55.9° |
| C19 | C18 | H3 | H4 | 117.6° | 120.0° |
| C18 | C19 | C20 | H6 | 56.5° | 60.0° |
| C18 | C19 | C20 | H7 | 63.5° | 180.0° |
| C18 | C19 | C20 | H8 | 176.5° | 60.0° |
| C18 | C19 | C21 | H9 | 55.4° | 60.0° |
| C18 | C19 | C21 | H10 | 175.5° | 60.0° |
| C18 | C19 | C21 | H11 | 64.6° | 180.0° |
| C28 | C27 | C26 | C30 | 118.5° | 120.0° |
| C28 | C27 | C26 | C29 | 119.7° | 120.0° |
| C28 | C27 | C26 | C25 | 173.8° | 60.0° |
| C28 | C27 | C30 | C29 | 119.3° | 120.0° |
| C28 | C27 | C26 | H15 | 65.2° | 180.0° |
| C28 | C27 | C26 | H16 | 52.8° | 60.0° |
| C28 | C27 | C29 | H17 | 180.0° | 60.0° |
| C28 | C27 | C29 | H18 | 60.0° | 60.0° |
| C28 | C27 | C29 | H19 | 60.0° | 180.0° |
| C28 | C27 | C30 | H20 | 180.0° | 180.0° |
| C28 | C27 | C30 | H21 | 60.0° | 60.0° |
| C28 | C27 | C30 | H22 | 60.0° | 60.0° |
| C27 | C28 | H23 | H24 | 120.0° | 120.0° |
| C27 | C28 | H23 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C18 | C17 | C22 | N16 | 118.5° | 120.0° |
| C18 | C17 | C22 | H2 | 119.4° | 120.0° |
| C18 | C17 | N16 | H2 | 118.1° | 120.0° |
| C18 | C17 | C22 | O23 | 92.2° | 120.0° |
| C18 | C17 | C22 | N24 | 85.7° | 60.0° |
| C18 | C17 | N16 | P13 | 164.2° | 145.1° |
| C18 | C17 | N16 | H1 | 74.4° | 90.9° |
| C17 | C18 | H3 | H4 | 117.7° | 120.0° |
| C17 | C18 | C19 | H5 | 48.2° | 54.0° |
| C27 | C26 | C25 | H15 | 121.0° | 120.0° |
| C27 | C26 | C25 | H16 | 121.0° | 119.9° |
| C26 | C27 | C30 | C29 | 122.6° | 120.0° |
| C27 | C26 | C25 | N24 | 172.8° | 180.0° |
| C27 | C26 | C25 | H13 | 67.4° | 60.0° |
| C27 | C26 | C25 | H14 | 53.0° | 60.0° |
| C27 | C26 | H15 | H16 | 116.9° | 120.0° |
| C26 | C27 | C29 | H17 | 60.8° | 60.0° |
| C26 | C27 | C29 | H18 | 179.2° | 180.0° |
| C26 | C27 | C29 | H19 | 59.2° | 60.0° |
| C26 | C27 | C30 | H20 | 61.9° | 60.0° |
| C26 | C27 | C30 | H21 | 58.1° | 180.0° |
| C26 | C27 | C30 | H22 | 178.1° | 60.0° |
| C26 | C27 | C28 | H23 | 180.0° | 60.0° |
| C26 | C27 | C28 | H24 | 60.0° | 180.0° |
| C26 | C27 | C28 | H25 | 60.0° | 60.0° |
| C25 | C26 | C27 | C30 | 55.3° | 60.0° |
| C25 | C26 | C27 | C29 | 66.5° | 180.0° |
| C26 | C25 | N24 | C22 | 104.6° | 180.0° |
| C26 | C25 | N24 | H13 | 119.8° | 120.0° |
| C26 | C25 | N24 | H14 | 119.8° | 120.0° |
| C26 | C25 | N24 | H12 | 75.4° | 0.1° |
| C26 | C25 | H13 | H14 | 120.6° | 120.0° |
| C25 | C26 | H15 | H16 | 116.9° | 120.0° |
| C30 | C27 | C26 | H15 | 176.3° | 60.0° |
| C30 | C27 | C26 | H16 | 65.7° | 179.9° |
| C30 | C27 | C29 | H17 | 60.8° | 180.0° |
| C30 | C27 | C29 | H18 | 59.2° | 60.0° |
| C30 | C27 | C29 | H19 | 179.2° | 60.0° |
| C27 | C30 | H20 | H21 | 120.0° | 120.0° |
| C27 | C30 | H20 | H22 | 120.0° | 120.0° |
| C27 | C30 | H21 | H22 | 120.0° | 120.1° |
| C30 | C27 | C28 | H23 | 61.0° | 60.0° |
| C30 | C27 | C28 | H24 | 59.0° | 60.0° |
| C30 | C27 | C28 | H25 | 179.0° | 179.9° |
| C29 | C27 | C26 | H15 | 54.5° | 60.0° |
| C29 | C27 | C26 | H16 | 172.5° | 60.0° |
| C27 | C29 | H17 | H18 | 120.0° | 120.0° |
| C27 | C29 | H17 | H19 | 120.0° | 120.0° |
| C27 | C29 | H18 | H19 | 120.0° | 120.0° |
| C29 | C27 | C30 | H20 | 60.7° | 60.0° |
| C29 | C27 | C30 | H21 | 179.3° | 60.0° |
| C29 | C27 | C30 | H22 | 59.3° | 180.0° |
| C29 | C27 | C28 | H23 | 58.9° | 180.0° |
| C29 | C27 | C28 | H24 | 178.9° | 60.0° |
| C29 | C27 | C28 | H25 | 61.1° | 60.1° |
| C22 | C17 | N16 | H2 | 121.8° | 120.0° |
| C17 | C22 | O23 | N24 | 177.7° | 180.0° |
| C17 | C22 | N24 | C25 | 177.3° | 180.0° |
| C22 | C17 | N16 | P13 | 75.7° | 94.9° |
| C22 | C17 | N16 | H1 | 45.7° | 29.1° |
| C22 | C17 | C18 | H3 | 57.7° | 64.1° |
| C22 | C17 | C18 | H4 | 176.2° | 56.0° |
| C17 | C22 | N24 | H12 | 2.7° | 0.1° |
| N16 | C17 | C22 | O23 | 149.3° | 0.0° |
| N16 | C17 | C22 | N24 | 32.8° | 180.0° |
| C17 | N16 | P13 | H1 | 121.4° | 124.0° |
| C17 | N16 | P13 | O14 | 114.9° | 65.0° |
| C17 | N16 | P13 | O15 | 13.6° | 55.0° |
| C17 | N16 | P13 | C12 | 129.7° | 175.0° |
| N16 | C17 | C18 | H3 | 64.5° | 55.9° |
| N16 | C17 | C18 | H4 | 54.0° | 175.9° |
| O23 | C22 | N24 | C25 | 0.6° | 0.0° |
| O23 | C22 | C17 | H2 | 27.1° | 120.0° |
| O23 | C22 | N24 | H12 | 179.4° | 180.0° |
| C22 | N24 | C25 | H12 | 180.0° | 180.0° |
| N24 | C22 | C17 | H2 | 155.0° | 60.0° |
| C22 | N24 | C25 | H13 | 15.2° | 60.0° |
| C22 | N24 | C25 | H14 | 135.6° | 60.0° |
| N24 | C25 | H13 | H14 | 120.7° | 120.1° |
| N24 | C25 | C26 | H15 | 51.8° | 60.0° |
| N24 | C25 | C26 | H16 | 66.2° | 60.1° |
| N16 | P13 | O14 | O15 | 125.2° | 119.9° |
| N16 | P13 | O14 | C12 | 109.5° | 120.0° |
| N16 | P13 | O15 | C12 | 109.1° | 120.0° |
| N16 | P13 | C12 | N11 | 159.7° | 180.0° |
| P13 | N16 | C17 | H2 | 46.1° | 25.1° |
| N16 | P13 | O15 | H26 | 126.3° | 60.1° |
| N16 | P13 | C12 | H27 | 80.5° | 60.0° |
| N16 | P13 | C12 | H28 | 39.9° | 60.0° |
| O14 | P13 | O15 | C12 | 124.6° | 120.1° |
| O14 | P13 | C12 | N11 | 42.8° | 60.0° |
| O14 | P13 | N16 | H1 | 123.7° | 171.1° |
| O14 | P13 | O15 | H26 | 0.0° | 180.0° |
| O14 | P13 | C12 | H27 | 162.6° | 60.0° |
| O14 | P13 | C12 | H28 | 77.0° | 180.0° |
| O15 | P13 | C12 | N11 | 85.1° | 60.0° |
| O15 | P13 | N16 | H1 | 107.8° | 69.0° |
| O15 | P13 | C12 | H27 | 34.7° | 179.9° |
| O15 | P13 | C12 | H28 | 155.1° | 59.9° |
| P13 | C12 | N11 | H27 | 119.8° | 120.0° |
| P13 | C12 | N11 | H28 | 119.8° | 120.0° |
| P13 | C12 | N11 | C9 | 145.9° | 94.9° |
| C12 | P13 | N16 | H1 | 8.3° | 51.0° |
| C12 | P13 | O15 | H26 | 124.6° | 59.9° |
| P13 | C12 | H27 | H28 | 120.6° | 120.0° |
| P13 | C12 | N11 | H36 | 34.1° | 85.0° |
| C12 | N11 | C9 | H36 | 180.0° | 179.9° |
| C12 | N11 | C9 | O10 | 6.5° | 0.1° |
| C12 | N11 | C9 | O8 | 177.4° | 180.0° |
| N11 | C12 | H27 | H28 | 120.5° | 120.0° |
| N11 | C9 | O10 | O8 | 170.5° | 179.9° |
| N11 | C9 | O8 | C7 | 154.6° | 180.0° |
| C9 | N11 | C12 | H27 | 26.1° | 145.0° |
| C9 | N11 | C12 | H28 | 94.3° | 25.0° |
| O10 | C9 | O8 | C7 | 34.3° | 0.1° |
| O10 | C9 | N11 | H36 | 173.5° | 180.0° |
| C9 | O8 | C7 | C6 | 136.7° | 180.0° |
| C9 | O8 | C7 | H29 | 103.1° | 60.0° |
| C9 | O8 | C7 | H30 | 16.5° | 59.9° |
| O8 | C9 | N11 | H36 | 2.5° | 0.1° |
| O8 | C7 | C6 | C5 | 72.0° | 90.2° |
| O8 | C7 | C6 | H29 | 120.2° | 120.0° |
| O8 | C7 | C6 | H30 | 120.2° | 120.1° |
| O8 | C7 | C6 | C1 | 108.1° | 90.0° |
| O8 | C7 | H29 | H30 | 119.4° | 120.0° |
| C4 | C5 | C6 | H35 | 180.0° | 179.5° |
| C4 | C5 | C6 | C7 | 179.8° | 179.7° |
| C5 | C4 | C3 | H34 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C5 | C4 | C3 | C2 | 0.4° | 0.2° |
| C5 | C4 | C3 | H33 | 179.6° | 179.7° |
| C5 | C6 | C7 | C1 | 179.8° | 179.8° |
| C6 | C5 | C4 | C3 | 0.5° | 0.5° |
| C5 | C6 | C1 | C2 | 0.5° | 0.3° |
| C5 | C6 | C7 | H29 | 167.8° | 29.8° |
| C5 | C6 | C7 | H30 | 48.2° | 149.7° |
| C5 | C6 | C1 | H31 | 179.5° | 179.8° |
| C6 | C5 | C4 | H34 | 179.5° | 179.7° |
| C7 | C6 | C1 | C2 | 179.6° | 180.0° |
| C6 | C7 | H29 | H30 | 119.5° | 120.0° |
| C7 | C6 | C1 | H31 | 0.4° | 0.0° |
| C7 | C6 | C5 | H35 | 0.2° | 0.2° |
| C4 | C3 | C2 | H33 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H32 | 179.9° | 179.9° |
| C3 | C4 | C5 | H35 | 179.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C6 | C1 | C2 | H31 | 180.0° | 180.0° |
| C1 | C6 | C7 | H29 | 12.1° | 150.0° |
| C1 | C6 | C7 | H30 | 131.7° | 30.0° |
| C6 | C1 | C2 | H32 | 179.4° | 179.9° |
| C1 | C6 | C5 | H35 | 180.0° | 180.0° |
| C3 | C2 | C1 | H32 | 180.0° | 179.9° |
| C3 | C2 | C1 | H31 | 179.4° | 180.0° |
| C2 | C3 | C4 | H34 | 179.6° | 180.0° |
| C1 | C2 | C3 | H33 | 179.9° | 180.0° |
| H1 | N16 | C17 | H2 | 167.5° | 149.1° |
| H2 | C17 | C18 | H3 | 177.1° | 175.9° |
| H2 | C17 | C18 | H4 | 64.5° | 64.0° |
| H3 | C18 | C19 | H5 | 72.5° | 66.0° |
| H4 | C18 | C19 | H5 | 169.0° | 174.0° |
| H5 | C19 | C20 | H6 | 62.2° | 180.0° |
| H5 | C19 | C20 | H7 | 177.7° | 60.0° |
| H5 | C19 | C20 | H8 | 57.8° | 60.1° |
| H5 | C19 | C21 | H9 | 62.2° | 180.0° |
| H5 | C19 | C21 | H10 | 57.8° | 60.0° |
| H5 | C19 | C21 | H11 | 177.8° | 60.0° |
| H6 | C20 | H7 | H8 | 120.0° | 120.0° |
| H9 | C21 | H10 | H11 | 120.0° | 119.9° |
| H12 | N24 | C25 | H13 | 164.8° | 120.0° |
| H12 | N24 | C25 | H14 | 44.4° | 120.0° |
| H13 | C25 | C26 | H15 | 171.6° | 180.0° |
| H13 | C25 | C26 | H16 | 53.6° | 59.9° |
| H14 | C25 | C26 | H15 | 68.0° | 60.0° |
| H14 | C25 | C26 | H16 | 174.0° | 179.9° |
| H17 | C29 | H18 | H19 | 120.0° | 120.0° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
| H23 | C28 | H24 | H25 | 120.0° | 120.0° |
| H27 | C12 | N11 | H36 | 153.9° | 35.1° |
| H28 | C12 | N11 | H36 | 85.7° | 155.1° |
| H31 | C1 | C2 | H32 | 0.6° | 0.1° |
| H32 | C2 | C3 | H33 | 0.1° | 0.1° |
| H33 | C3 | C4 | H34 | 0.4° | 0.0° |
| H34 | C4 | C5 | H35 | 0.5° | 0.3° |
