PRD_001177
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | O8 | sing | 1.45Å | 1.44Å | |
| O8 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O10 | doub | 1.22Å | 1.22Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | P13 | sing | 1.82Å | 1.83Å | |
| O14 | P13 | doub | 1.48Å | 1.51Å | |
| O15 | P13 | sing | 1.61Å | 1.49Å | |
| P13 | N16 | sing | 1.68Å | 1.85Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| C25 | N24 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| N24 | C22 | sing | 1.35Å | 1.35Å | |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| C22 | C17 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| 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 | |
| O15 | H13 | sing | 0.97Å | 0.95Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C2 | C1 | H18 | 119.8° | 120.0° |
| C1 | C2 | H19 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C3 | C2 | H19 | 120.0° | 120.0° |
| C2 | C3 | H20 | 120.1° | 120.0° |
| C1 | C6 | C7 | 122.0° | 120.0° |
| C1 | C6 | C5 | 119.3° | 120.0° |
| C6 | C1 | H18 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C4 | C3 | H20 | 120.1° | 120.0° |
| C3 | C4 | H21 | 120.0° | 120.0° |
| C7 | C6 | C5 | 118.7° | 120.0° |
| C6 | C7 | O8 | 117.6° | 109.5° |
| C6 | C7 | H16 | 107.4° | 109.5° |
| C6 | C7 | H17 | 107.4° | 109.5° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C6 | C5 | H22 | 119.7° | 120.0° |
| C5 | C4 | H21 | 119.9° | 120.0° |
| C4 | C5 | H22 | 119.8° | 120.0° |
| C7 | O8 | C9 | 120.2° | 117.0° |
| O8 | C7 | H16 | 107.4° | 109.5° |
| O8 | C7 | H17 | 107.4° | 109.5° |
| O8 | C9 | O10 | 113.7° | 119.9° |
| O8 | C9 | N11 | 124.0° | 120.0° |
| O10 | C9 | N11 | 120.7° | 120.1° |
| C9 | N11 | C12 | 120.3° | 120.0° |
| C9 | N11 | H32 | 119.9° | 120.1° |
| N11 | C12 | P13 | 108.4° | 109.4° |
| N11 | C12 | H14 | 109.8° | 109.5° |
| N11 | C12 | H15 | 109.7° | 109.4° |
| C12 | N11 | H32 | 119.8° | 119.9° |
| C12 | P13 | O14 | 109.7° | 109.5° |
| C12 | P13 | O15 | 110.6° | 109.5° |
| C12 | P13 | N16 | 101.7° | 109.5° |
| P13 | C12 | H14 | 109.7° | 109.5° |
| P13 | C12 | H15 | 109.7° | 109.5° |
| O14 | P13 | O15 | 113.8° | 109.5° |
| O14 | P13 | N16 | 109.5° | 109.4° |
| O15 | P13 | N16 | 110.8° | 109.4° |
| P13 | O15 | H13 | 109.5° | 113.9° |
| P13 | N16 | C17 | 114.6° | 111.0° |
| P13 | N16 | H1 | 108.2° | 111.0° |
| N16 | C17 | C22 | 113.5° | 109.5° |
| N16 | C17 | C18 | 101.5° | 109.5° |
| C17 | N16 | H1 | 108.2° | 111.0° |
| N16 | C17 | H2 | 112.0° | 109.5° |
| N24 | C25 | C26 | 106.5° | 109.5° |
| C25 | N24 | C22 | 122.2° | 120.0° |
| C25 | N24 | H12 | 118.9° | 120.0° |
| N24 | C25 | H23 | 110.2° | 109.5° |
| N24 | C25 | H24 | 110.2° | 109.5° |
| C25 | C26 | C27 | 112.3° | 109.4° |
| C26 | C25 | H23 | 110.2° | 109.5° |
| C26 | C25 | H24 | 110.2° | 109.5° |
| C25 | C26 | H25 | 108.8° | 109.5° |
| C25 | C26 | H26 | 108.8° | 109.5° |
| N24 | C22 | O23 | 124.0° | 120.0° |
| N24 | C22 | C17 | 116.1° | 120.0° |
| C22 | N24 | H12 | 118.9° | 120.0° |
| O23 | C22 | C17 | 119.9° | 120.0° |
| C22 | C17 | C18 | 107.7° | 109.5° |
| C22 | C17 | H2 | 111.1° | 109.5° |
| C31 | C32 | C27 | 120.5° | 120.0° |
| C32 | C31 | C30 | 119.8° | 120.0° |
| C32 | C31 | H30 | 120.1° | 120.0° |
| C31 | C32 | H31 | 119.8° | 120.1° |
| C32 | C27 | C26 | 120.3° | 120.0° |
| C32 | C27 | C28 | 119.3° | 120.0° |
| C27 | C32 | H31 | 119.7° | 119.9° |
| C17 | C18 | C19 | 113.7° | 109.4° |
| C18 | C17 | H2 | 110.6° | 109.5° |
| C17 | C18 | H3 | 108.4° | 109.5° |
| C17 | C18 | H4 | 108.4° | 109.5° |
| C31 | C30 | C29 | 120.1° | 120.0° |
| C31 | C30 | H29 | 119.9° | 120.0° |
| C30 | C31 | H30 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C27 | C26 | H25 | 108.8° | 109.5° |
| C27 | C26 | H26 | 108.8° | 109.5° |
| C27 | C28 | C29 | 120.4° | 120.0° |
| C27 | C28 | H27 | 119.8° | 120.0° |
| C30 | C29 | C28 | 119.9° | 120.0° |
| C30 | C29 | H28 | 120.0° | 120.0° |
| C29 | C30 | H29 | 120.0° | 120.0° |
| C18 | C19 | C20 | 110.8° | 109.4° |
| C18 | C19 | C21 | 109.0° | 109.5° |
| C19 | C18 | H3 | 108.4° | 109.5° |
| C19 | C18 | H4 | 108.4° | 109.5° |
| C18 | C19 | H5 | 108.7° | 109.5° |
| C29 | C28 | H27 | 119.8° | 120.0° |
| C28 | C29 | H28 | 120.1° | 120.0° |
| C20 | C19 | C21 | 111.1° | 109.5° |
| C20 | C19 | H5 | 108.6° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.4° | 109.4° |
| C19 | C20 | H8 | 109.4° | 109.4° |
| C21 | C19 | H5 | 108.6° | 109.5° |
| C19 | C21 | H9 | 109.5° | 109.5° |
| C19 | C21 | H10 | 109.5° | 109.5° |
| C19 | C21 | H11 | 109.4° | 109.5° |
| H3 | C18 | H4 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H19 | 180.0° | 179.9° |
| C2 | C1 | C6 | H18 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.4° |
| C1 | C2 | C3 | H20 | 179.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.0° | 0.1° |
| C2 | C3 | C4 | H20 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C3 | C2 | C1 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | H21 | 179.7° | 180.0° |
| C1 | C6 | C7 | C5 | 179.5° | 179.6° |
| C1 | C6 | C5 | C4 | 0.3° | 0.6° |
| C1 | C6 | C7 | O8 | 90.8° | 89.7° |
| C1 | C6 | C7 | H16 | 148.1° | 30.4° |
| C1 | C6 | C7 | H17 | 30.4° | 150.3° |
| C6 | C1 | C2 | H19 | 180.0° | 179.9° |
| C1 | C6 | C5 | H22 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 0.5° | 0.5° |
| C3 | C4 | C5 | H21 | 180.0° | 179.8° |
| C4 | C3 | C2 | H19 | 179.9° | 179.9° |
| C3 | C4 | C5 | H22 | 179.6° | 179.7° |
| C7 | C6 | C5 | C4 | 179.8° | 179.8° |
| C6 | C7 | O8 | H16 | 121.2° | 120.0° |
| C6 | C7 | O8 | H17 | 121.2° | 120.1° |
| C6 | C7 | O8 | C9 | 119.2° | 180.0° |
| C6 | C7 | H16 | H17 | 116.3° | 120.0° |
| C7 | C6 | C1 | H18 | 0.4° | 0.1° |
| C7 | C6 | C5 | H22 | 0.2° | 0.0° |
| C6 | C5 | C4 | H22 | 180.0° | 179.7° |
| C5 | C6 | C7 | O8 | 88.7° | 90.0° |
| C5 | C6 | C7 | H16 | 32.5° | 150.0° |
| C5 | C6 | C7 | H17 | 150.1° | 30.1° |
| C5 | C6 | C1 | H18 | 179.9° | 179.7° |
| C6 | C5 | C4 | H21 | 179.6° | 179.7° |
| C5 | C4 | C3 | H20 | 179.7° | 179.8° |
| C7 | O8 | C9 | O10 | 57.6° | 0.0° |
| C7 | O8 | C9 | N11 | 136.5° | 180.0° |
| O8 | C7 | H16 | H17 | 116.3° | 120.0° |
| O8 | C9 | O10 | N11 | 166.3° | 180.0° |
| O8 | C9 | N11 | C12 | 163.5° | 180.0° |
| C9 | O8 | C7 | H16 | 1.9° | 59.9° |
| C9 | O8 | C7 | H17 | 119.6° | 60.0° |
| O8 | C9 | N11 | H32 | 16.5° | 0.1° |
| O10 | C9 | N11 | C12 | 1.3° | 0.0° |
| O10 | C9 | N11 | H32 | 178.7° | 180.0° |
| C9 | N11 | C12 | H32 | 180.0° | 179.9° |
| C9 | N11 | C12 | P13 | 149.7° | 95.0° |
| C9 | N11 | C12 | H14 | 90.5° | 145.0° |
| C9 | N11 | C12 | H15 | 29.8° | 25.0° |
| N11 | C12 | P13 | H14 | 119.8° | 120.0° |
| N11 | C12 | P13 | H15 | 119.8° | 119.9° |
| N11 | C12 | P13 | O14 | 86.4° | 60.0° |
| N11 | C12 | P13 | O15 | 39.9° | 60.0° |
| N11 | C12 | P13 | N16 | 157.7° | 180.0° |
| N11 | C12 | H14 | H15 | 120.5° | 120.0° |
| C12 | P13 | O14 | O15 | 124.5° | 120.1° |
| C12 | P13 | O14 | N16 | 110.9° | 120.0° |
| C12 | P13 | O15 | N16 | 112.1° | 120.0° |
| C12 | P13 | N16 | C17 | 129.4° | 174.9° |
| C12 | P13 | N16 | H1 | 109.9° | 61.1° |
| C12 | P13 | O15 | H13 | 124.0° | 64.9° |
| P13 | C12 | H14 | H15 | 120.5° | 120.1° |
| P13 | C12 | N11 | H32 | 30.3° | 85.0° |
| O14 | P13 | O15 | N16 | 123.9° | 119.9° |
| O14 | P13 | N16 | C17 | 13.3° | 54.9° |
| O14 | P13 | N16 | H1 | 134.1° | 178.9° |
| O14 | P13 | O15 | H13 | 0.0° | 175.1° |
| O14 | P13 | C12 | H14 | 153.8° | 180.0° |
| O14 | P13 | C12 | H15 | 33.4° | 59.9° |
| O15 | P13 | N16 | C17 | 113.0° | 65.0° |
| O15 | P13 | N16 | H1 | 7.8° | 58.9° |
| O15 | P13 | C12 | H14 | 79.9° | 59.9° |
| O15 | P13 | C12 | H15 | 159.7° | 180.0° |
| P13 | N16 | C17 | H1 | 120.8° | 123.9° |
| P13 | N16 | C17 | C22 | 81.7° | 96.2° |
| P13 | N16 | C17 | C18 | 163.1° | 143.9° |
| P13 | N16 | C17 | H2 | 45.1° | 23.8° |
| N16 | P13 | O15 | H13 | 123.9° | 55.1° |
| N16 | P13 | C12 | H14 | 37.9° | 60.0° |
| N16 | P13 | C12 | H15 | 82.4° | 60.0° |
| N16 | C17 | C22 | N24 | 28.0° | 180.0° |
| N16 | C17 | C22 | O23 | 152.3° | 0.0° |
| N16 | C17 | C22 | C18 | 111.5° | 120.0° |
| N16 | C17 | C22 | H2 | 127.2° | 120.0° |
| N16 | C17 | C18 | H2 | 119.0° | 120.0° |
| N16 | C17 | C18 | C19 | 176.9° | 65.2° |
| N16 | C17 | C18 | H3 | 56.3° | 54.8° |
| N16 | C17 | C18 | H4 | 62.5° | 174.8° |
| N24 | C25 | C26 | H23 | 119.6° | 120.0° |
| N24 | C25 | C26 | H24 | 119.5° | 120.0° |
| C25 | N24 | C22 | H12 | 180.0° | 180.0° |
| C25 | N24 | C22 | O23 | 1.3° | 0.0° |
| C25 | N24 | C22 | C17 | 178.4° | 180.0° |
| N24 | C25 | C26 | C27 | 158.0° | 180.0° |
| N24 | C25 | H23 | H24 | 121.3° | 120.0° |
| N24 | C25 | C26 | H25 | 37.6° | 60.0° |
| N24 | C25 | C26 | H26 | 81.6° | 60.0° |
| C26 | C25 | N24 | C22 | 121.8° | 180.0° |
| C25 | C26 | C27 | C32 | 10.3° | 89.8° |
| C25 | C26 | C27 | H25 | 120.4° | 120.0° |
| C25 | C26 | C27 | H26 | 120.4° | 120.0° |
| C25 | C26 | C27 | C28 | 170.0° | 90.0° |
| C26 | C25 | N24 | H12 | 58.2° | 0.0° |
| C26 | C25 | H23 | H24 | 121.4° | 120.0° |
| C25 | C26 | H25 | H26 | 118.8° | 120.0° |
| N24 | C22 | O23 | C17 | 179.7° | 180.0° |
| N24 | C22 | C17 | C18 | 83.5° | 60.0° |
| N24 | C22 | C17 | H2 | 155.2° | 60.0° |
| C22 | N24 | C25 | H23 | 118.7° | 60.0° |
| C22 | N24 | C25 | H24 | 2.2° | 60.0° |
| O23 | C22 | C17 | C18 | 96.2° | 120.0° |
| O23 | C22 | C17 | H2 | 25.0° | 120.0° |
| O23 | C22 | N24 | H12 | 178.7° | 180.0° |
| C22 | C17 | C18 | H2 | 121.6° | 120.0° |
| C22 | C17 | C18 | C19 | 63.7° | 174.9° |
| C22 | C17 | N16 | H1 | 157.6° | 139.9° |
| C22 | C17 | C18 | H3 | 175.7° | 65.1° |
| C22 | C17 | C18 | H4 | 56.9° | 54.9° |
| C17 | C22 | N24 | H12 | 1.6° | 0.0° |
| C31 | C32 | C27 | H31 | 180.0° | 180.0° |
| C32 | C31 | C30 | H30 | 180.0° | 180.0° |
| C31 | C32 | C27 | C26 | 180.0° | 179.7° |
| C31 | C32 | C27 | C28 | 0.3° | 0.1° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C32 | C31 | C30 | H29 | 180.0° | 179.9° |
| C27 | C32 | C31 | C30 | 0.2° | 0.0° |
| C32 | C27 | C26 | C28 | 179.7° | 179.8° |
| C32 | C27 | C28 | C29 | 0.2° | 0.1° |
| C32 | C27 | C26 | H25 | 130.7° | 30.2° |
| C32 | C27 | C26 | H26 | 110.2° | 150.2° |
| C32 | C27 | C28 | H27 | 179.8° | 180.0° |
| C27 | C32 | C31 | H30 | 179.8° | 180.0° |
| C17 | C18 | C19 | H3 | 120.6° | 120.0° |
| C17 | C18 | C19 | H4 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 73.3° | 174.0° |
| C17 | C18 | C19 | C21 | 164.2° | 66.1° |
| C18 | C17 | N16 | H1 | 42.3° | 19.9° |
| C17 | C18 | H3 | H4 | 118.1° | 120.0° |
| C17 | C18 | C19 | H5 | 46.0° | 54.0° |
| C31 | C30 | C29 | H29 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.0° | 0.1° |
| C31 | C30 | C29 | H28 | 180.0° | 180.0° |
| C30 | C31 | C32 | H31 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 179.9° | 179.7° |
| C27 | C26 | C25 | H23 | 82.4° | 60.0° |
| C27 | C26 | C25 | H24 | 38.5° | 60.0° |
| C27 | C26 | H25 | H26 | 118.7° | 120.0° |
| C26 | C27 | C28 | H27 | 0.1° | 0.3° |
| C26 | C27 | C32 | H31 | 0.0° | 0.2° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | H25 | 49.6° | 150.0° |
| C28 | C27 | C26 | H26 | 69.6° | 30.0° |
| C27 | C28 | C29 | H28 | 179.9° | 180.0° |
| C28 | C27 | C32 | H31 | 179.7° | 180.0° |
| C30 | C29 | C28 | H28 | 180.0° | 179.9° |
| C30 | C29 | C28 | H27 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 121.3° | 120.0° |
| C18 | C19 | C20 | H5 | 119.3° | 120.0° |
| C18 | C19 | C21 | H5 | 118.3° | 120.0° |
| C19 | C18 | C17 | H2 | 57.9° | 54.8° |
| C19 | C18 | H3 | H4 | 118.1° | 120.0° |
| C18 | C19 | C20 | H6 | 180.0° | 60.0° |
| C18 | C19 | C20 | H7 | 60.0° | 180.0° |
| C18 | C19 | C20 | H8 | 60.0° | 60.0° |
| C18 | C19 | C21 | H9 | 180.0° | 60.0° |
| C18 | C19 | C21 | H10 | 60.0° | 60.0° |
| C18 | C19 | C21 | H11 | 60.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C20 | C19 | C21 | H5 | 119.4° | 120.0° |
| C20 | C19 | C18 | H3 | 47.3° | 54.0° |
| C20 | C19 | C18 | H4 | 166.1° | 66.1° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H8 | 120.0° | 120.0° |
| C19 | C20 | H7 | H8 | 120.0° | 119.9° |
| C20 | C19 | C21 | H9 | 57.7° | 60.0° |
| C20 | C19 | C21 | H10 | 62.3° | 180.0° |
| C20 | C19 | C21 | H11 | 177.7° | 60.1° |
| C21 | C19 | C18 | H3 | 75.2° | 174.0° |
| C21 | C19 | C18 | H4 | 43.5° | 53.9° |
| C21 | C19 | C20 | H6 | 58.7° | 60.0° |
| C21 | C19 | C20 | H7 | 178.7° | 60.0° |
| C21 | C19 | C20 | H8 | 61.3° | 180.0° |
| C19 | C21 | H9 | H10 | 120.0° | 120.0° |
| C19 | C21 | H9 | H11 | 120.0° | 120.0° |
| C19 | C21 | H10 | H11 | 120.0° | 120.0° |
| H1 | N16 | C17 | H2 | 75.7° | 100.1° |
| H2 | C17 | C18 | H3 | 62.7° | 174.9° |
| H2 | C17 | C18 | H4 | 178.5° | 65.1° |
| H3 | C18 | C19 | H5 | 166.6° | 66.0° |
| H4 | C18 | C19 | H5 | 74.7° | 173.9° |
| H5 | C19 | C20 | H6 | 60.7° | 180.0° |
| H5 | C19 | C20 | H7 | 59.3° | 60.0° |
| H5 | C19 | C20 | H8 | 179.3° | 60.0° |
| H5 | C19 | C21 | H9 | 61.7° | 180.0° |
| H5 | C19 | C21 | H10 | 178.3° | 60.0° |
| H5 | C19 | C21 | H11 | 58.3° | 60.0° |
| H6 | C20 | H7 | H8 | 120.0° | 120.1° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H12 | N24 | C25 | H23 | 61.3° | 120.0° |
| H12 | N24 | C25 | H24 | 177.8° | 120.0° |
| H14 | C12 | N11 | H32 | 89.5° | 34.9° |
| H15 | C12 | N11 | H32 | 150.2° | 155.0° |
| H18 | C1 | C2 | H19 | 0.0° | 0.1° |
| H19 | C2 | C3 | H20 | 0.0° | 0.0° |
| H20 | C3 | C4 | H21 | 0.3° | 0.1° |
| H21 | C4 | C5 | H22 | 0.4° | 0.0° |
| H23 | C25 | C26 | H25 | 157.1° | 180.0° |
| H23 | C25 | C26 | H26 | 38.0° | 60.0° |
| H24 | C25 | C26 | H25 | 82.0° | 60.0° |
| H24 | C25 | C26 | H26 | 158.9° | 180.0° |
| H27 | C28 | C29 | H28 | 0.1° | 0.1° |
| H28 | C29 | C30 | H29 | 0.0° | 0.0° |
| H29 | C30 | C31 | H30 | 0.0° | 0.0° |
| H30 | C31 | C32 | H31 | 0.2° | 0.1° |
