7O2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C18 | sing | 1.51Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| N43 | C42 | sing | 1.35Å | 1.42Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| O32 | C31 | doub | 1.21Å | 1.23Å | |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | P12 | sing | 1.82Å | 1.81Å | |
| O44 | C42 | doub | 1.21Å | 1.22Å | |
| C16 | C31 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C34 | sing | 1.51Å | 1.50Å | |
| C31 | N33 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| O14 | P12 | doub | 1.48Å | 1.50Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N33 | C34 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| P12 | O13 | sing | 1.61Å | 1.50Å | |
| P12 | C1 | sing | 1.82Å | 1.82Å | |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N11 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | H7 | sing | 1.01Å | 1.00Å | |
| N11 | H8 | sing | 1.01Å | 1.00Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| O13 | H20 | sing | 0.97Å | 0.95Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| N33 | H31 | sing | 0.97Å | 1.00Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | H39 | sing | 1.08Å | 1.08Å | |
| N43 | H40 | sing | 0.97Å | 1.00Å | |
| N43 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 121.1° | 120.0° |
| C28 | C27 | C26 | 121.2° | 120.0° |
| C28 | C27 | H27 | 119.4° | 120.0° |
| C27 | C28 | H28 | 119.5° | 120.0° |
| C28 | C29 | C30 | 117.5° | 120.0° |
| C29 | C28 | H28 | 119.5° | 120.0° |
| C28 | C29 | H29 | 121.2° | 120.0° |
| C27 | C26 | C25 | 118.5° | 120.0° |
| C27 | C26 | H26 | 120.8° | 120.0° |
| C26 | C27 | H27 | 119.4° | 120.0° |
| C29 | C30 | C25 | 121.7° | 120.0° |
| C30 | C29 | H29 | 121.3° | 120.0° |
| C29 | C30 | H30 | 119.2° | 120.0° |
| C26 | C25 | C30 | 120.1° | 120.0° |
| C26 | C25 | C18 | 118.7° | 120.0° |
| C25 | C26 | H26 | 120.8° | 120.0° |
| C30 | C25 | C18 | 121.2° | 120.0° |
| C25 | C30 | H30 | 119.1° | 120.0° |
| C25 | C18 | C17 | 111.6° | 109.5° |
| C25 | C18 | C19 | 102.1° | 109.4° |
| C25 | C18 | H15 | 109.4° | 109.5° |
| C17 | C18 | C19 | 115.5° | 109.5° |
| C18 | C17 | C16 | 114.1° | 109.5° |
| C18 | C17 | H13 | 108.3° | 109.5° |
| C18 | C17 | H14 | 108.3° | 109.5° |
| C17 | C18 | H15 | 108.7° | 109.5° |
| C18 | C19 | C24 | 122.6° | 120.0° |
| C18 | C19 | C20 | 117.7° | 120.0° |
| C19 | C18 | H15 | 109.3° | 109.5° |
| C17 | C16 | C15 | 107.7° | 109.5° |
| C17 | C16 | C31 | 111.1° | 109.4° |
| C17 | C16 | H12 | 110.0° | 109.5° |
| C16 | C17 | H13 | 108.3° | 109.4° |
| C16 | C17 | H14 | 108.3° | 109.5° |
| N43 | C42 | O44 | 121.3° | 120.0° |
| N43 | C42 | C34 | 118.7° | 120.0° |
| C42 | N43 | H40 | 120.0° | 120.0° |
| C42 | N43 | H41 | 120.0° | 120.0° |
| C24 | C19 | C20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C19 | C24 | H25 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H21 | 119.7° | 120.0° |
| O32 | C31 | C16 | 119.6° | 120.0° |
| O32 | C31 | N33 | 122.4° | 120.0° |
| C24 | C23 | C22 | 119.3° | 120.0° |
| C24 | C23 | H24 | 120.3° | 120.0° |
| C23 | C24 | H25 | 119.8° | 120.0° |
| C16 | C15 | P12 | 112.1° | 109.5° |
| C15 | C16 | C31 | 107.4° | 109.5° |
| C16 | C15 | H10 | 108.8° | 109.5° |
| C16 | C15 | H11 | 108.8° | 109.5° |
| C15 | C16 | H12 | 110.1° | 109.5° |
| C15 | P12 | O14 | 104.6° | 109.5° |
| C15 | P12 | O13 | 107.2° | 109.5° |
| C15 | P12 | C1 | 113.8° | 109.5° |
| P12 | C15 | H10 | 108.8° | 109.5° |
| P12 | C15 | H11 | 108.8° | 109.4° |
| O44 | C42 | C34 | 119.9° | 120.0° |
| C16 | C31 | N33 | 118.0° | 120.0° |
| C31 | C16 | H12 | 110.4° | 109.5° |
| C20 | C21 | C22 | 118.9° | 120.0° |
| C21 | C20 | H21 | 119.7° | 120.0° |
| C20 | C21 | H22 | 120.6° | 120.0° |
| C42 | C34 | N33 | 108.0° | 109.5° |
| C42 | C34 | C35 | 112.9° | 109.5° |
| C42 | C34 | H32 | 107.1° | 109.5° |
| C31 | N33 | C34 | 118.7° | 120.0° |
| C31 | N33 | H31 | 120.7° | 120.0° |
| C23 | C22 | C21 | 121.2° | 120.0° |
| C23 | C22 | H23 | 119.4° | 120.0° |
| C22 | C23 | H24 | 120.4° | 120.0° |
| O14 | P12 | O13 | 119.9° | 109.5° |
| O14 | P12 | C1 | 104.5° | 109.5° |
| C22 | C21 | H22 | 120.5° | 120.0° |
| C21 | C22 | H23 | 119.4° | 120.1° |
| N33 | C34 | C35 | 114.3° | 109.5° |
| C34 | N33 | H31 | 120.7° | 120.0° |
| N33 | C34 | H32 | 107.6° | 109.4° |
| C34 | C35 | C36 | 113.4° | 109.5° |
| C35 | C34 | H32 | 106.6° | 109.5° |
| C34 | C35 | H33 | 108.5° | 109.5° |
| C34 | C35 | H34 | 108.5° | 109.4° |
| O13 | P12 | C1 | 107.1° | 109.5° |
| P12 | O13 | H20 | 109.5° | 114.0° |
| P12 | C1 | C2 | 112.4° | 109.5° |
| P12 | C1 | N11 | 106.2° | 109.5° |
| P12 | C1 | H1 | 106.8° | 109.5° |
| C40 | C41 | C36 | 121.0° | 120.0° |
| C41 | C40 | C39 | 119.1° | 120.0° |
| C41 | C40 | H38 | 120.4° | 120.0° |
| C40 | C41 | H39 | 119.5° | 120.0° |
| C41 | C36 | C35 | 121.2° | 120.0° |
| C41 | C36 | C37 | 119.4° | 120.0° |
| C36 | C41 | H39 | 119.5° | 120.0° |
| C40 | C39 | C38 | 120.1° | 120.0° |
| C40 | C39 | H37 | 119.9° | 120.0° |
| C39 | C40 | H38 | 120.5° | 120.0° |
| C2 | C1 | N11 | 110.4° | 109.5° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C2 | C1 | H1 | 110.2° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| N11 | C1 | H1 | 110.7° | 109.5° |
| C1 | N11 | H7 | 109.5° | 111.0° |
| C1 | N11 | H8 | 109.4° | 111.0° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C36 | C35 | H33 | 108.5° | 109.5° |
| C36 | C35 | H34 | 108.5° | 109.4° |
| C2 | C3 | C4 | 109.0° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 109.6° | 109.5° |
| C2 | C3 | H5 | 109.6° | 109.5° |
| C36 | C37 | C38 | 119.6° | 120.0° |
| C36 | C37 | H35 | 120.2° | 120.0° |
| C39 | C38 | C37 | 120.7° | 120.0° |
| C39 | C38 | H36 | 119.6° | 120.0° |
| C38 | C39 | H37 | 120.0° | 120.0° |
| C8 | C9 | C4 | 120.7° | 120.0° |
| C9 | C8 | C7 | 120.5° | 120.0° |
| C9 | C8 | H18 | 119.7° | 120.0° |
| C8 | C9 | H19 | 119.6° | 120.0° |
| C9 | C4 | C3 | 120.3° | 120.0° |
| C9 | C4 | C5 | 119.1° | 120.0° |
| C4 | C9 | H19 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | H4 | 109.6° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.4° |
| C8 | C7 | C6 | 118.6° | 120.0° |
| C8 | C7 | H17 | 120.7° | 120.0° |
| C7 | C8 | H18 | 119.7° | 120.0° |
| C38 | C37 | H35 | 120.2° | 120.0° |
| C37 | C38 | H36 | 119.7° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | H16 | 120.0° | 120.0° |
| C7 | C6 | C5 | 121.0° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | H17 | 120.7° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C6 | C5 | H16 | 120.1° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | N11 | H8 | 109.5° | 110.9° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H33 | C35 | H34 | 109.4° | 109.5° |
| H40 | N43 | H41 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.2° | 0.3° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C28 | C27 | C26 | H26 | 179.6° | 180.0° |
| C27 | C28 | C29 | H29 | 178.8° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | C25 | 1.3° | 0.6° |
| C29 | C28 | C27 | H27 | 179.6° | 180.0° |
| C28 | C29 | C30 | H30 | 178.7° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 0.2° | 0.3° |
| C27 | C26 | C25 | C18 | 178.6° | 180.0° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C29 | C30 | C25 | C26 | 0.6° | 0.6° |
| C29 | C30 | C25 | H30 | 180.0° | 179.4° |
| C29 | C30 | C25 | C18 | 177.7° | 179.7° |
| C30 | C29 | C28 | H28 | 178.8° | 179.7° |
| C26 | C25 | C30 | C18 | 178.3° | 179.7° |
| C26 | C25 | C18 | C17 | 125.0° | 127.5° |
| C26 | C25 | C18 | C19 | 111.0° | 112.6° |
| C26 | C25 | C18 | H15 | 4.7° | 7.5° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C25 | C30 | H30 | 179.4° | 180.0° |
| C30 | C25 | C18 | C17 | 56.6° | 52.8° |
| C30 | C25 | C18 | C19 | 67.4° | 67.2° |
| C30 | C25 | C18 | H15 | 176.9° | 172.8° |
| C30 | C25 | C26 | H26 | 179.7° | 179.6° |
| C25 | C30 | C29 | H29 | 178.7° | 179.6° |
| C25 | C18 | C17 | C19 | 116.0° | 120.0° |
| C25 | C18 | C17 | H15 | 120.7° | 120.0° |
| C25 | C18 | C19 | H15 | 115.7° | 120.0° |
| C25 | C18 | C17 | C16 | 170.1° | 174.0° |
| C25 | C18 | C19 | C24 | 73.3° | 113.2° |
| C25 | C18 | C19 | C20 | 103.8° | 66.5° |
| C25 | C18 | C17 | H13 | 49.5° | 66.1° |
| C25 | C18 | C17 | H14 | 69.2° | 54.0° |
| C18 | C25 | C26 | H26 | 1.4° | 0.1° |
| C18 | C25 | C30 | H30 | 2.3° | 0.3° |
| C17 | C18 | C19 | H15 | 123.0° | 120.0° |
| C18 | C17 | C16 | H13 | 120.7° | 120.0° |
| C18 | C17 | C16 | H14 | 120.7° | 120.0° |
| C17 | C18 | C19 | C24 | 48.0° | 126.8° |
| C17 | C18 | C19 | C20 | 134.9° | 53.4° |
| C18 | C17 | C16 | C15 | 167.2° | 174.5° |
| C18 | C17 | C16 | C31 | 49.8° | 65.5° |
| C18 | C17 | C16 | H12 | 72.7° | 54.4° |
| C18 | C17 | H13 | H14 | 117.9° | 120.0° |
| C19 | C18 | C17 | C16 | 73.8° | 66.1° |
| C18 | C19 | C24 | C20 | 177.0° | 179.7° |
| C18 | C19 | C24 | C23 | 177.5° | 179.7° |
| C18 | C19 | C20 | C21 | 178.2° | 180.0° |
| C19 | C18 | C17 | H13 | 165.5° | 53.9° |
| C19 | C18 | C17 | H14 | 46.9° | 173.9° |
| C18 | C19 | C20 | H21 | 1.8° | 0.0° |
| C18 | C19 | C24 | H25 | 2.5° | 0.0° |
| C17 | C16 | C31 | O32 | 80.3° | 30.3° |
| C17 | C16 | C15 | C31 | 119.8° | 120.0° |
| C17 | C16 | C15 | H12 | 120.0° | 120.0° |
| C17 | C16 | C15 | P12 | 128.6° | 75.0° |
| C17 | C16 | C31 | H12 | 122.4° | 120.0° |
| C17 | C16 | C31 | N33 | 100.5° | 149.7° |
| C17 | C16 | C15 | H10 | 111.0° | 165.0° |
| C17 | C16 | C15 | H11 | 8.3° | 45.0° |
| C16 | C17 | H13 | H14 | 117.8° | 120.0° |
| C16 | C17 | C18 | H15 | 49.5° | 54.0° |
| N43 | C42 | O44 | C34 | 178.6° | 180.0° |
| N43 | C42 | C34 | N33 | 14.4° | 180.0° |
| N43 | C42 | C34 | C35 | 113.0° | 60.1° |
| N43 | C42 | C34 | H32 | 130.0° | 60.0° |
| C42 | N43 | H40 | H41 | 180.0° | 179.9° |
| C19 | C24 | C23 | H25 | 180.0° | 179.7° |
| C24 | C19 | C20 | C21 | 1.0° | 0.3° |
| C19 | C24 | C23 | C22 | 0.4° | 0.5° |
| C24 | C19 | C18 | H15 | 171.0° | 6.8° |
| C24 | C19 | C20 | H21 | 179.0° | 179.7° |
| C19 | C24 | C23 | H24 | 179.7° | 179.7° |
| C20 | C19 | C24 | C23 | 0.5° | 0.5° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C20 | C19 | C18 | H15 | 11.9° | 173.5° |
| C19 | C20 | C21 | H22 | 179.4° | 180.0° |
| C20 | C19 | C24 | H25 | 179.5° | 179.8° |
| O32 | C31 | C16 | C15 | 37.3° | 89.7° |
| O32 | C31 | C16 | N33 | 179.2° | 180.0° |
| O32 | C31 | N33 | C34 | 9.5° | 4.8° |
| O32 | C31 | C16 | H12 | 157.3° | 150.3° |
| O32 | C31 | N33 | H31 | 170.5° | 175.2° |
| C24 | C23 | C22 | H24 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.8° | 0.2° |
| C24 | C23 | C22 | H23 | 179.2° | 179.8° |
| C16 | C15 | P12 | H10 | 120.4° | 120.0° |
| C16 | C15 | P12 | H11 | 120.4° | 120.0° |
| C15 | C16 | C31 | H12 | 120.1° | 120.0° |
| C15 | C16 | C31 | N33 | 141.9° | 90.3° |
| C16 | C15 | P12 | O14 | 135.3° | 55.0° |
| C16 | C15 | P12 | O13 | 6.9° | 65.0° |
| C16 | C15 | P12 | C1 | 111.3° | 175.0° |
| C16 | C15 | H10 | H11 | 118.8° | 120.0° |
| C15 | C16 | C17 | H13 | 46.5° | 54.5° |
| C15 | C16 | C17 | H14 | 72.1° | 65.5° |
| P12 | C15 | C16 | C31 | 111.6° | 165.0° |
| C15 | P12 | O14 | O13 | 120.2° | 120.0° |
| C15 | P12 | O14 | C1 | 119.8° | 120.0° |
| C15 | P12 | O13 | C1 | 122.5° | 120.0° |
| C15 | P12 | C1 | C2 | 52.4° | 180.0° |
| C15 | P12 | C1 | N11 | 173.2° | 60.0° |
| C15 | P12 | C1 | H1 | 68.6° | 60.0° |
| P12 | C15 | H10 | H11 | 118.8° | 120.0° |
| P12 | C15 | C16 | H12 | 8.7° | 45.0° |
| C15 | P12 | O13 | H20 | 118.9° | 60.0° |
| O44 | C42 | C34 | N33 | 164.2° | 0.0° |
| O44 | C42 | C34 | C35 | 68.4° | 119.9° |
| O44 | C42 | C34 | H32 | 48.6° | 120.0° |
| O44 | C42 | N43 | H40 | 0.0° | 180.0° |
| O44 | C42 | N43 | H41 | 180.0° | 0.0° |
| C16 | C31 | N33 | C34 | 169.6° | 175.2° |
| C31 | C16 | C15 | H10 | 8.8° | 45.0° |
| C31 | C16 | C15 | H11 | 128.0° | 75.0° |
| C31 | C16 | C17 | H13 | 70.9° | 174.5° |
| C31 | C16 | C17 | H14 | 170.5° | 54.5° |
| C16 | C31 | N33 | H31 | 10.4° | 4.7° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C20 | C21 | C22 | H23 | 179.7° | 180.0° |
| C42 | C34 | N33 | C31 | 79.4° | 87.2° |
| C42 | C34 | N33 | C35 | 126.5° | 120.0° |
| C42 | C34 | N33 | H32 | 115.3° | 120.0° |
| C42 | C34 | C35 | H32 | 117.3° | 120.0° |
| C42 | C34 | C35 | C36 | 70.2° | 174.8° |
| C42 | C34 | N33 | H31 | 100.6° | 92.8° |
| C42 | C34 | C35 | H33 | 50.4° | 65.2° |
| C42 | C34 | C35 | H34 | 169.2° | 54.9° |
| C34 | C42 | N43 | H40 | 178.7° | 0.0° |
| C34 | C42 | N43 | H41 | 1.3° | 180.0° |
| C31 | N33 | C34 | H31 | 180.0° | 180.0° |
| C31 | N33 | C34 | C35 | 154.1° | 152.8° |
| N33 | C31 | C16 | H12 | 21.9° | 29.7° |
| C31 | N33 | C34 | H32 | 35.9° | 32.8° |
| C23 | C22 | C21 | H23 | 180.0° | 180.0° |
| C23 | C22 | C21 | H22 | 179.7° | 180.0° |
| C22 | C23 | C24 | H25 | 179.6° | 179.8° |
| O14 | P12 | O13 | C1 | 118.6° | 120.0° |
| O14 | P12 | C1 | C2 | 165.8° | 60.0° |
| O14 | P12 | C1 | N11 | 73.4° | 60.0° |
| O14 | P12 | C1 | H1 | 44.8° | 180.0° |
| O14 | P12 | C15 | H10 | 104.3° | 175.0° |
| O14 | P12 | C15 | H11 | 14.9° | 65.0° |
| O14 | P12 | O13 | H20 | 0.0° | 180.0° |
| C22 | C21 | C20 | H21 | 179.4° | 180.0° |
| C21 | C22 | C23 | H24 | 179.2° | 180.0° |
| N33 | C34 | C35 | H32 | 118.7° | 120.0° |
| N33 | C34 | C35 | C36 | 53.8° | 65.2° |
| N33 | C34 | C35 | H33 | 174.4° | 54.8° |
| N33 | C34 | C35 | H34 | 66.8° | 174.9° |
| C34 | C35 | C36 | C41 | 65.4° | 84.8° |
| C34 | C35 | C36 | H33 | 120.6° | 120.1° |
| C34 | C35 | C36 | H34 | 120.6° | 119.9° |
| C34 | C35 | C36 | C37 | 114.1° | 95.5° |
| C35 | C34 | N33 | H31 | 26.0° | 27.1° |
| C34 | C35 | H33 | H34 | 118.2° | 120.0° |
| O13 | P12 | C1 | C2 | 66.0° | 60.0° |
| O13 | P12 | C1 | N11 | 54.8° | 180.0° |
| O13 | P12 | C1 | H1 | 173.1° | 60.0° |
| O13 | P12 | C15 | H10 | 127.3° | 55.0° |
| O13 | P12 | C15 | H11 | 113.5° | 175.0° |
| P12 | C1 | C2 | N11 | 118.3° | 120.0° |
| P12 | C1 | C2 | H1 | 119.1° | 120.0° |
| P12 | C1 | N11 | H1 | 115.6° | 120.0° |
| P12 | C1 | C2 | C3 | 175.1° | 60.0° |
| P12 | C1 | C2 | H2 | 64.5° | 180.0° |
| P12 | C1 | C2 | H3 | 54.7° | 60.0° |
| P12 | C1 | N11 | H7 | 180.0° | 63.9° |
| P12 | C1 | N11 | H8 | 60.0° | 60.0° |
| C1 | P12 | C15 | H10 | 9.1° | 65.0° |
| C1 | P12 | C15 | H11 | 128.3° | 55.0° |
| C1 | P12 | O13 | H20 | 118.6° | 60.0° |
| C40 | C41 | C36 | H39 | 180.0° | 179.5° |
| C41 | C40 | C39 | H38 | 180.0° | 179.7° |
| C40 | C41 | C36 | C35 | 179.2° | 179.7° |
| C40 | C41 | C36 | C37 | 0.3° | 0.6° |
| C41 | C40 | C39 | C38 | 0.3° | 0.3° |
| C41 | C40 | C39 | H37 | 179.7° | 179.7° |
| C36 | C41 | C40 | C39 | 0.4° | 0.6° |
| C41 | C36 | C35 | C37 | 179.4° | 179.7° |
| C41 | C36 | C37 | C38 | 0.1° | 0.3° |
| C41 | C36 | C35 | H33 | 55.2° | 155.1° |
| C41 | C36 | C35 | H34 | 174.1° | 35.1° |
| C41 | C36 | C37 | H35 | 179.9° | 179.7° |
| C36 | C41 | C40 | H38 | 179.6° | 179.7° |
| C40 | C39 | C38 | H37 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 0.0° | 0.0° |
| C40 | C39 | C38 | H36 | 180.0° | 180.0° |
| C39 | C40 | C41 | H39 | 179.6° | 180.0° |
| C2 | C1 | N11 | H1 | 122.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 173.5° | 180.0° |
| C1 | C2 | H2 | H3 | 118.8° | 120.0° |
| C1 | C2 | C3 | H4 | 66.5° | 60.0° |
| C1 | C2 | C3 | H5 | 53.6° | 60.0° |
| C2 | C1 | N11 | H7 | 57.8° | 176.1° |
| C2 | C1 | N11 | H8 | 177.9° | 60.0° |
| N11 | C1 | C2 | C3 | 66.6° | 180.0° |
| N11 | C1 | C2 | H2 | 53.8° | 60.0° |
| N11 | C1 | C2 | H3 | 173.0° | 60.0° |
| C1 | N11 | H7 | H8 | 120.0° | 123.9° |
| C35 | C36 | C37 | C38 | 179.5° | 180.0° |
| C36 | C35 | C34 | H32 | 172.5° | 54.8° |
| C36 | C35 | H33 | H34 | 118.2° | 119.9° |
| C35 | C36 | C37 | H35 | 0.5° | 0.0° |
| C35 | C36 | C41 | H39 | 0.8° | 0.3° |
| C2 | C3 | C4 | C9 | 29.4° | 90.0° |
| C2 | C3 | C4 | H4 | 119.9° | 120.0° |
| C2 | C3 | C4 | H5 | 119.9° | 120.0° |
| C2 | C3 | C4 | C5 | 148.7° | 90.0° |
| C3 | C2 | C1 | H1 | 56.0° | 60.0° |
| C3 | C2 | H2 | H3 | 118.8° | 120.0° |
| C2 | C3 | H4 | H5 | 120.2° | 120.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.0° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C37 | C36 | C35 | H33 | 125.4° | 24.6° |
| C37 | C36 | C35 | H34 | 6.5° | 144.6° |
| C36 | C37 | C38 | H36 | 179.8° | 180.0° |
| C37 | C36 | C41 | H39 | 179.7° | 180.0° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C39 | C38 | C37 | H35 | 179.8° | 180.0° |
| C38 | C39 | C40 | H38 | 179.7° | 180.0° |
| C8 | C9 | C4 | H19 | 180.0° | 179.7° |
| C8 | C9 | C4 | C3 | 179.6° | 179.7° |
| C9 | C8 | C7 | H18 | 180.0° | 180.0° |
| C8 | C9 | C4 | C5 | 1.4° | 0.3° |
| C9 | C8 | C7 | C6 | 0.6° | 0.0° |
| C9 | C8 | C7 | H17 | 179.5° | 180.0° |
| C9 | C4 | C3 | C5 | 178.2° | 180.0° |
| C4 | C9 | C8 | C7 | 1.0° | 0.3° |
| C9 | C4 | C5 | C6 | 1.3° | 0.0° |
| C9 | C4 | C3 | H4 | 90.5° | 150.0° |
| C9 | C4 | C3 | H5 | 149.4° | 30.0° |
| C9 | C4 | C5 | H16 | 178.7° | 180.0° |
| C4 | C9 | C8 | H18 | 179.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.5° | 179.9° |
| C4 | C3 | C2 | H2 | 53.2° | 60.0° |
| C4 | C3 | C2 | H3 | 66.1° | 60.0° |
| C4 | C3 | H4 | H5 | 120.2° | 120.0° |
| C3 | C4 | C5 | H16 | 0.5° | 0.0° |
| C3 | C4 | C9 | H19 | 0.4° | 0.1° |
| C8 | C7 | C6 | H17 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.3° |
| C8 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | C8 | C9 | H19 | 179.0° | 180.0° |
| C37 | C38 | C39 | H37 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.3° |
| C4 | C5 | C6 | H16 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 91.4° | 30.0° |
| C5 | C4 | C3 | H5 | 28.8° | 150.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C4 | C9 | H19 | 178.6° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | H16 | 179.1° | 179.7° |
| C6 | C7 | C8 | H18 | 179.4° | 180.0° |
| C5 | C6 | C7 | H17 | 179.5° | 179.7° |
| H1 | C1 | C2 | H2 | 176.4° | 60.0° |
| H1 | C1 | C2 | H3 | 64.4° | 180.0° |
| H1 | C1 | N11 | H7 | 64.4° | 56.1° |
| H1 | C1 | N11 | H8 | 55.6° | 180.0° |
| H2 | C2 | C3 | H4 | 173.1° | 180.0° |
| H2 | C2 | C3 | H5 | 66.8° | 60.0° |
| H3 | C2 | C3 | H4 | 53.9° | 60.0° |
| H3 | C2 | C3 | H5 | 174.0° | NaN° |
| H6 | C6 | C5 | H16 | 0.8° | 0.0° |
| H6 | C6 | C7 | H17 | 0.5° | 0.0° |
| H10 | C15 | C16 | H12 | 129.0° | 75.0° |
| H11 | C15 | C16 | H12 | 111.7° | 165.0° |
| H12 | C16 | C17 | H13 | 166.6° | 65.5° |
| H12 | C16 | C17 | H14 | 48.0° | 174.5° |
| H13 | C17 | C18 | H15 | 71.2° | 174.0° |
| H14 | C17 | C18 | H15 | 170.1° | 66.0° |
| H17 | C7 | C8 | H18 | 0.5° | 0.0° |
| H18 | C8 | C9 | H19 | 1.0° | 0.0° |
| H21 | C20 | C21 | H22 | 0.6° | 0.0° |
| H22 | C21 | C22 | H23 | 0.3° | 0.0° |
| H23 | C22 | C23 | H24 | 0.8° | 0.0° |
| H24 | C23 | C24 | H25 | 0.3° | 0.0° |
| H26 | C26 | C27 | H27 | 0.4° | 0.1° |
| H27 | C27 | C28 | H28 | 0.4° | 0.0° |
| H28 | C28 | C29 | H29 | 1.2° | 0.1° |
| H29 | C29 | C30 | H30 | 1.3° | 0.2° |
| H31 | N33 | C34 | H32 | 144.1° | 147.2° |
| H32 | C34 | C35 | H33 | 66.9° | 174.8° |
| H32 | C34 | C35 | H34 | 51.9° | 65.1° |
| H35 | C37 | C38 | H36 | 0.2° | 0.0° |
| H36 | C38 | C39 | H37 | 0.0° | 0.0° |
| H37 | C39 | C40 | H38 | 0.3° | 0.0° |
| H38 | C40 | C41 | H39 | 0.4° | 0.2° |
