8VT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6, | C6, | sing | 1.43Å | 1.47Å | |
| C6, | C5, | sing | 1.53Å | 1.55Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.50Å | |
| O2 | C2 | sing | 1.43Å | 1.49Å | |
| O5, | C5, | sing | 1.43Å | 1.41Å | |
| O5, | C1, | sing | 1.43Å | 1.43Å | |
| C5, | C4, | sing | 1.53Å | 1.57Å | |
| O35 | C33 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | O3 | sing | 1.43Å | 1.43Å | |
| C25 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.35Å | Aromatic |
| C33 | N1 | sing | 1.35Å | 1.42Å | |
| C3 | O3 | sing | 1.43Å | 1.38Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | O31 | sing | 1.36Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| N1 | C1, | sing | 1.47Å | 1.47Å | |
| C1, | C2, | sing | 1.53Å | 1.56Å | |
| C4, | O1 | sing | 1.43Å | 1.39Å | |
| C4, | C3, | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| O31 | C32 | sing | 1.43Å | 1.48Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C2, | C3, | sing | 1.53Å | 1.50Å | |
| C2, | N2 | sing | 1.47Å | 1.49Å | |
| C3, | O3, | sing | 1.43Å | 1.48Å | |
| N2 | C36 | sing | 1.35Å | 1.36Å | |
| O37 | C36 | doub | 1.22Å | 1.22Å | |
| C36 | C38 | sing | 1.48Å | 1.48Å | |
| C38 | C39 | doub | 1.40Å | 1.44Å | Aromatic |
| C38 | C43 | sing | 1.39Å | 1.36Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.42Å | Aromatic |
| C43 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.42Å | Aromatic |
| C45 | O44 | sing | 1.43Å | 1.47Å | |
| C42 | C41 | sing | 1.39Å | 1.43Å | Aromatic |
| C42 | O44 | sing | 1.36Å | 1.38Å | |
| C34 | H1 | sing | 1.09Å | 1.10Å | |
| C34 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C1, | H5 | sing | 1.09Å | 1.10Å | |
| C2, | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C39 | H8 | sing | 1.08Å | 1.08Å | |
| C40 | H9 | sing | 1.08Å | 1.08Å | |
| C41 | H10 | sing | 1.08Å | 1.08Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| C45 | H12 | sing | 1.09Å | 1.10Å | |
| C45 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.08Å | 1.08Å | |
| C5, | H15 | sing | 1.09Å | 1.10Å | |
| C6, | H16 | sing | 1.09Å | 1.10Å | |
| C6, | H17 | sing | 1.09Å | 1.10Å | |
| O6, | H18 | sing | 0.97Å | 0.95Å | |
| C4, | H19 | sing | 1.09Å | 1.10Å | |
| C3, | H20 | sing | 1.09Å | 1.10Å | |
| O3, | H21 | sing | 0.97Å | 0.95Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| O4 | H27 | sing | 0.97Å | 0.95Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6, | C6, | C5, | 112.7° | 109.5° |
| O6, | C6, | H16 | 108.6° | 109.5° |
| O6, | C6, | H17 | 108.6° | 109.5° |
| C6, | O6, | H18 | 109.5° | 114.0° |
| C6, | C5, | O5, | 108.0° | 109.5° |
| C6, | C5, | C4, | 110.7° | 109.5° |
| C6, | C5, | H15 | 109.8° | 109.5° |
| C5, | C6, | H16 | 108.6° | 109.5° |
| C5, | C6, | H17 | 108.7° | 109.5° |
| C27 | C26 | C25 | 115.2° | 120.1° |
| C26 | C27 | C28 | 124.4° | 120.0° |
| C27 | C26 | H34 | 122.4° | 120.0° |
| C26 | C27 | H35 | 117.8° | 120.0° |
| C26 | C25 | C24 | 119.9° | 120.0° |
| C26 | C25 | C30 | 119.5° | 120.0° |
| C25 | C26 | H34 | 122.4° | 119.9° |
| C27 | C28 | C29 | 120.9° | 120.0° |
| C28 | C27 | H35 | 117.8° | 120.0° |
| C27 | C28 | H36 | 119.6° | 120.0° |
| C34 | C33 | O35 | 122.6° | 120.0° |
| C34 | C33 | N1 | 115.3° | 120.0° |
| C33 | C34 | H1 | 109.5° | 109.5° |
| C33 | C34 | H2 | 109.4° | 109.5° |
| C33 | C34 | H3 | 109.5° | 109.4° |
| O2 | C2 | C3 | 105.7° | 109.6° |
| O2 | C2 | C1 | 108.0° | 109.5° |
| O2 | C2 | H23 | 110.3° | 109.5° |
| C2 | O2 | H24 | 109.5° | 114.0° |
| C5, | O5, | C1, | 114.1° | 114.1° |
| O5, | C5, | C4, | 106.8° | 109.4° |
| O5, | C5, | H15 | 111.9° | 109.5° |
| O5, | C1, | N1 | 107.8° | 109.5° |
| O5, | C1, | C2, | 104.9° | 109.4° |
| O5, | C1, | H5 | 113.3° | 109.5° |
| C5, | C4, | O1 | 107.9° | 109.5° |
| C5, | C4, | C3, | 108.7° | 109.2° |
| C4, | C5, | H15 | 109.6° | 109.5° |
| C5, | C4, | H19 | 109.2° | 109.5° |
| O35 | C33 | N1 | 121.9° | 120.0° |
| C25 | C24 | O3 | 114.3° | 109.5° |
| C24 | C25 | C30 | 120.5° | 120.0° |
| C25 | C24 | H32 | 108.3° | 109.4° |
| C25 | C24 | H33 | 108.2° | 109.5° |
| C24 | O3 | C3 | 112.0° | 114.1° |
| O3 | C24 | H32 | 108.3° | 109.5° |
| O3 | C24 | H33 | 108.3° | 109.5° |
| C25 | C30 | C29 | 125.0° | 120.0° |
| C25 | C30 | H37 | 117.5° | 120.0° |
| C28 | C29 | C30 | 114.8° | 119.9° |
| C28 | C29 | O31 | 122.0° | 120.1° |
| C29 | C28 | H36 | 119.5° | 120.0° |
| C33 | N1 | C1, | 116.1° | 120.0° |
| C33 | N1 | H4 | 121.9° | 120.0° |
| O3 | C3 | C2 | 108.3° | 109.5° |
| O3 | C3 | C4 | 114.9° | 109.6° |
| O3 | C3 | H25 | 109.3° | 109.5° |
| C2 | C3 | C4 | 108.9° | 109.1° |
| C3 | C2 | C1 | 112.3° | 109.1° |
| C3 | C2 | H23 | 110.1° | 109.5° |
| C2 | C3 | H25 | 107.7° | 109.6° |
| C3 | C4 | C5 | 111.4° | 109.2° |
| C3 | C4 | O4 | 106.7° | 109.5° |
| C4 | C3 | H25 | 107.4° | 109.6° |
| C3 | C4 | H26 | 107.5° | 109.6° |
| C30 | C29 | O31 | 123.2° | 120.1° |
| C29 | C30 | H37 | 117.5° | 120.0° |
| C29 | O31 | C32 | 126.6° | 117.0° |
| C2 | C1 | O1 | 106.5° | 109.5° |
| C2 | C1 | O5 | 106.9° | 109.4° |
| C2 | C1 | H22 | 111.7° | 109.5° |
| C1 | C2 | H23 | 110.4° | 109.5° |
| O1 | C1 | O5 | 106.2° | 109.5° |
| C1 | O1 | C4, | 114.6° | 114.0° |
| O1 | C1 | H22 | 112.4° | 109.4° |
| C1 | O5 | C5 | 110.2° | 114.1° |
| O5 | C1 | H22 | 112.8° | 109.5° |
| N1 | C1, | C2, | 106.5° | 109.5° |
| C1, | N1 | H4 | 121.9° | 120.0° |
| N1 | C1, | H5 | 112.6° | 109.5° |
| C1, | C2, | C3, | 111.0° | 109.1° |
| C1, | C2, | N2 | 107.4° | 109.5° |
| C2, | C1, | H5 | 111.2° | 109.5° |
| C1, | C2, | H6 | 110.7° | 109.6° |
| O1 | C4, | C3, | 109.6° | 109.5° |
| O1 | C4, | H19 | 111.7° | 109.5° |
| C4, | C3, | C2, | 111.2° | 109.0° |
| C4, | C3, | O3, | 109.9° | 109.6° |
| C3, | C4, | H19 | 109.7° | 109.6° |
| C4, | C3, | H20 | 106.9° | 109.5° |
| C4 | C5 | O5 | 105.9° | 109.4° |
| C4 | C5 | C6 | 110.8° | 109.5° |
| C5 | C4 | O4 | 114.9° | 109.5° |
| C5 | C4 | H26 | 107.7° | 109.6° |
| C4 | C5 | H28 | 109.7° | 109.5° |
| O5 | C5 | C6 | 110.0° | 109.5° |
| O5 | C5 | H28 | 110.6° | 109.5° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C6 | C5 | H28 | 109.7° | 109.5° |
| C5 | C6 | H29 | 109.1° | 109.4° |
| C5 | C6 | H30 | 109.1° | 109.5° |
| O4 | C4 | H26 | 108.4° | 109.5° |
| C4 | O4 | H27 | 109.5° | 114.0° |
| O31 | C32 | H38 | 109.5° | 109.5° |
| O31 | C32 | H39 | 109.5° | 109.4° |
| O31 | C32 | H40 | 109.5° | 109.4° |
| O6 | C6 | H29 | 109.1° | 109.5° |
| O6 | C6 | H30 | 109.1° | 109.5° |
| C6 | O6 | H31 | 109.5° | 114.0° |
| C3, | C2, | N2 | 104.1° | 109.5° |
| C2, | C3, | O3, | 113.8° | 109.6° |
| C3, | C2, | H6 | 111.7° | 109.5° |
| C2, | C3, | H20 | 107.2° | 109.6° |
| C2, | N2 | C36 | 118.2° | 120.0° |
| N2 | C2, | H6 | 111.7° | 109.6° |
| C2, | N2 | H7 | 120.9° | 120.0° |
| O3, | C3, | H20 | 107.5° | 109.6° |
| C3, | O3, | H21 | 109.5° | 114.1° |
| N2 | C36 | O37 | 124.3° | 120.0° |
| N2 | C36 | C38 | 115.2° | 120.0° |
| C36 | N2 | H7 | 120.9° | 120.0° |
| O37 | C36 | C38 | 120.2° | 120.0° |
| C36 | C38 | C39 | 126.0° | 120.1° |
| C36 | C38 | C43 | 111.0° | 120.1° |
| C39 | C38 | C43 | 122.7° | 119.8° |
| C38 | C39 | C40 | 118.4° | 119.9° |
| C38 | C39 | H8 | 120.8° | 120.0° |
| C38 | C43 | C42 | 119.4° | 119.8° |
| C38 | C43 | H14 | 120.3° | 120.2° |
| C39 | C40 | C41 | 118.1° | 120.2° |
| C40 | C39 | H8 | 120.8° | 120.0° |
| C39 | C40 | H9 | 120.9° | 119.8° |
| C43 | C42 | C41 | 120.0° | 120.0° |
| C43 | C42 | O44 | 113.0° | 120.0° |
| C42 | C43 | H14 | 120.3° | 120.1° |
| C40 | C41 | C42 | 121.1° | 120.2° |
| C41 | C40 | H9 | 120.9° | 119.9° |
| C40 | C41 | H10 | 119.4° | 119.9° |
| C45 | O44 | C42 | 124.5° | 117.0° |
| O44 | C45 | H11 | 109.5° | 109.5° |
| O44 | C45 | H12 | 109.5° | 109.5° |
| O44 | C45 | H13 | 109.5° | 109.5° |
| C41 | C42 | O44 | 127.0° | 120.0° |
| C42 | C41 | H10 | 119.4° | 119.9° |
| H1 | C34 | H2 | 109.5° | 109.5° |
| H1 | C34 | H3 | 109.5° | 109.4° |
| H2 | C34 | H3 | 109.5° | 109.5° |
| H11 | C45 | H12 | 109.5° | 109.5° |
| H11 | C45 | H13 | 109.4° | 109.4° |
| H12 | C45 | H13 | 109.4° | 109.5° |
| H16 | C6, | H17 | 109.5° | 109.4° |
| H29 | C6 | H30 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H40 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6, | C6, | C5, | H16 | 120.5° | 120.0° |
| O6, | C6, | C5, | H17 | 120.5° | 120.0° |
| O6, | C6, | C5, | O5, | 61.1° | 64.5° |
| O6, | C6, | C5, | C4, | 55.5° | 175.6° |
| O6, | C6, | C5, | H15 | 176.6° | 55.5° |
| O6, | C6, | H16 | H17 | 118.5° | 120.0° |
| C6, | C5, | O5, | C4, | 119.2° | 120.0° |
| C6, | C5, | O5, | H15 | 120.9° | 120.0° |
| C6, | C5, | O5, | C1, | 172.1° | 178.8° |
| C6, | C5, | C4, | H15 | 121.2° | 120.0° |
| C6, | C5, | C4, | O1 | 66.6° | 62.5° |
| C6, | C5, | C4, | C3, | 174.6° | 177.6° |
| C5, | C6, | H16 | H17 | 118.5° | 120.0° |
| C5, | C6, | O6, | H18 | 180.0° | 180.0° |
| C6, | C5, | C4, | H19 | 55.0° | 57.6° |
| C27 | C26 | C25 | H34 | 180.0° | 179.9° |
| C26 | C27 | C28 | H35 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 179.7° | 180.0° |
| C27 | C26 | C25 | C30 | 4.1° | 0.3° |
| C26 | C27 | C28 | C29 | 0.9° | 0.0° |
| C26 | C27 | C28 | H36 | 179.1° | 180.0° |
| C25 | C26 | C27 | C28 | 2.2° | 0.0° |
| C26 | C25 | C24 | C30 | 176.1° | 179.7° |
| C26 | C25 | C24 | O3 | 176.4° | 89.7° |
| C26 | C25 | C30 | C29 | 5.2° | 0.6° |
| C26 | C25 | C24 | H32 | 62.8° | 150.3° |
| C26 | C25 | C24 | H33 | 55.7° | 30.4° |
| C25 | C26 | C27 | H35 | 177.7° | 180.0° |
| C26 | C25 | C30 | H37 | 174.7° | 179.7° |
| C27 | C28 | C29 | H36 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.5° | 0.3° |
| C27 | C28 | C29 | O31 | 179.7° | 180.0° |
| C28 | C27 | C26 | H34 | 177.8° | 180.0° |
| C34 | C33 | O35 | N1 | 175.3° | 179.7° |
| C34 | C33 | N1 | C1, | 168.9° | 179.7° |
| C33 | C34 | H1 | H2 | 120.0° | 120.1° |
| C33 | C34 | H1 | H3 | 120.0° | 119.9° |
| C33 | C34 | H2 | H3 | 120.0° | 120.0° |
| C34 | C33 | N1 | H4 | 11.1° | 0.3° |
| O2 | C2 | C3 | O3 | 66.2° | 63.2° |
| O2 | C2 | C3 | C1 | 117.5° | 119.9° |
| O2 | C2 | C3 | H23 | 119.1° | 120.2° |
| O2 | C2 | C3 | C4 | 168.1° | 176.9° |
| O2 | C2 | C1 | H23 | 120.7° | 120.1° |
| O2 | C2 | C1 | O1 | 70.9° | 62.4° |
| O2 | C2 | C1 | O5 | 176.0° | 177.6° |
| O2 | C2 | C1 | H22 | 52.1° | 57.5° |
| O2 | C2 | C3 | H25 | 51.9° | 56.9° |
| O5, | C5, | C4, | H15 | 121.4° | 120.0° |
| C5, | O5, | C1, | N1 | 179.1° | 178.8° |
| C5, | O5, | C1, | C2, | 67.7° | 61.2° |
| O5, | C5, | C4, | O1 | 176.1° | 177.5° |
| O5, | C5, | C4, | C3, | 57.3° | 57.6° |
| C5, | O5, | C1, | H5 | 53.7° | 58.8° |
| O5, | C5, | C6, | H16 | 178.4° | 175.5° |
| O5, | C5, | C6, | H17 | 59.3° | 55.6° |
| O5, | C5, | C4, | H19 | 62.4° | 62.4° |
| C1, | O5, | C5, | C4, | 68.8° | 61.2° |
| O5, | C1, | N1 | C33 | 94.8° | 95.1° |
| O5, | C1, | N1 | C2, | 112.1° | 119.9° |
| O5, | C1, | N1 | H5 | 125.7° | 120.1° |
| O5, | C1, | C2, | H5 | 122.8° | 120.1° |
| O5, | C1, | C2, | C3, | 57.6° | 57.7° |
| O5, | C1, | C2, | N2 | 170.9° | 177.5° |
| O5, | C1, | N1 | H4 | 85.2° | 84.9° |
| O5, | C1, | C2, | H6 | 67.0° | 62.2° |
| C1, | O5, | C5, | H15 | 51.2° | 58.8° |
| C5, | C4, | O1 | C1 | 105.3° | 99.3° |
| C5, | C4, | O1 | C3, | 118.2° | 119.7° |
| C5, | C4, | O1 | H19 | 120.0° | 120.1° |
| C5, | C4, | C3, | H19 | 119.3° | 119.9° |
| C5, | C4, | C3, | C2, | 53.0° | 56.9° |
| C5, | C4, | C3, | O3, | 179.9° | 176.8° |
| C4, | C5, | C6, | H16 | 65.0° | 55.5° |
| C4, | C5, | C6, | H17 | 176.0° | 64.4° |
| C5, | C4, | C3, | H20 | 63.8° | 62.9° |
| O35 | C33 | N1 | C1, | 6.8° | 0.0° |
| O35 | C33 | C34 | H1 | 0.0° | 90.0° |
| O35 | C33 | C34 | H2 | 120.0° | 150.0° |
| O35 | C33 | C34 | H3 | 120.0° | 30.0° |
| O35 | C33 | N1 | H4 | 173.3° | 179.9° |
| C25 | C24 | O3 | H32 | 120.7° | 120.0° |
| C25 | C24 | O3 | H33 | 120.7° | 120.1° |
| C25 | C24 | O3 | C3 | 172.3° | 179.9° |
| C24 | C25 | C30 | C29 | 178.7° | 179.7° |
| C25 | C24 | H32 | H33 | 117.8° | 120.0° |
| C24 | C25 | C26 | H34 | 0.2° | 0.1° |
| C24 | C25 | C30 | H37 | 1.4° | 0.0° |
| O3 | C24 | C25 | C30 | 7.5° | 90.0° |
| C24 | O3 | C3 | C2 | 155.9° | 90.0° |
| C24 | O3 | C3 | C4 | 82.1° | 150.4° |
| C24 | O3 | C3 | H25 | 38.8° | 30.1° |
| O3 | C24 | H32 | H33 | 117.8° | 120.0° |
| C25 | C30 | C29 | C28 | 3.7° | 0.6° |
| C25 | C30 | C29 | H37 | 180.0° | 179.8° |
| C25 | C30 | C29 | O31 | 177.4° | 179.7° |
| C30 | C25 | C24 | H32 | 113.2° | 30.0° |
| C30 | C25 | C24 | H33 | 128.2° | 149.9° |
| C30 | C25 | C26 | H34 | 175.9° | 179.8° |
| C28 | C29 | C30 | O31 | 178.9° | 179.7° |
| C28 | C29 | O31 | C32 | 178.4° | 0.0° |
| C29 | C28 | C27 | H35 | 179.0° | 180.0° |
| C28 | C29 | C30 | H37 | 176.3° | 179.7° |
| C33 | N1 | C1, | H4 | 180.0° | 179.9° |
| C33 | N1 | C1, | C2, | 153.1° | 145.0° |
| N1 | C33 | C34 | H1 | 175.6° | 89.8° |
| N1 | C33 | C34 | H2 | 55.6° | 30.3° |
| N1 | C33 | C34 | H3 | 64.4° | 150.3° |
| C33 | N1 | C1, | H5 | 30.9° | 25.0° |
| O3 | C3 | C2 | C4 | 125.6° | 119.9° |
| O3 | C3 | C2 | H25 | 118.1° | 120.1° |
| O3 | C3 | C4 | H25 | 121.9° | 120.2° |
| O3 | C3 | C2 | C1 | 176.3° | 176.9° |
| O3 | C3 | C4 | C5 | 171.8° | 176.8° |
| O3 | C3 | C4 | O4 | 45.7° | 57.0° |
| O3 | C3 | C2 | H23 | 52.9° | 56.9° |
| O3 | C3 | C4 | H26 | 70.4° | 63.2° |
| C3 | O3 | C24 | H32 | 51.6° | 60.0° |
| C3 | O3 | C24 | H33 | 67.0° | 60.0° |
| C2 | C3 | C4 | H25 | 116.4° | 120.0° |
| C3 | C2 | C1 | H23 | 123.2° | 119.9° |
| C3 | C2 | C1 | O1 | 173.0° | 177.6° |
| C3 | C2 | C1 | O5 | 59.9° | 57.6° |
| C2 | C3 | C4 | C5 | 50.2° | 57.0° |
| C2 | C3 | C4 | O4 | 76.0° | 62.9° |
| C3 | C2 | C1 | H22 | 64.0° | 62.4° |
| C3 | C2 | O2 | H24 | 180.0° | 179.7° |
| C2 | C3 | C4 | H26 | 168.0° | 177.0° |
| C4 | C3 | C2 | C1 | 50.6° | 57.0° |
| C3 | C4 | C5 | O4 | 121.5° | 119.9° |
| C3 | C4 | C5 | H26 | 117.7° | 120.0° |
| C3 | C4 | C5 | O5 | 58.3° | 57.6° |
| C3 | C4 | C5 | C6 | 177.6° | 177.6° |
| C3 | C4 | O4 | H26 | 115.5° | 120.2° |
| C4 | C3 | C2 | H23 | 72.8° | 62.9° |
| C3 | C4 | O4 | H27 | 180.0° | 180.0° |
| C3 | C4 | C5 | H28 | 61.0° | 62.4° |
| C30 | C29 | O31 | C32 | 0.4° | 179.7° |
| C30 | C29 | C28 | H36 | 178.5° | 179.7° |
| O31 | C29 | C28 | H36 | 0.3° | 0.0° |
| O31 | C29 | C30 | H37 | 2.6° | 0.1° |
| C29 | O31 | C32 | H38 | 180.0° | 60.0° |
| C29 | O31 | C32 | H39 | 60.0° | 60.0° |
| C29 | O31 | C32 | H40 | 60.0° | 180.0° |
| C2 | C1 | O1 | O5 | 113.6° | 120.0° |
| C2 | C1 | O1 | H22 | 122.6° | 120.0° |
| C2 | C1 | O5 | H22 | 123.1° | 120.0° |
| C2 | C1 | O1 | C4, | 176.5° | 171.3° |
| C2 | C1 | O5 | C5 | 70.0° | 61.2° |
| C1 | C2 | O2 | H24 | 59.7° | 60.0° |
| C1 | C2 | C3 | H25 | 65.6° | 63.0° |
| O1 | C1 | O5 | H22 | 123.5° | 120.0° |
| C1 | O1 | C4, | C3, | 136.5° | 140.9° |
| O1 | C1 | O5 | C5 | 176.6° | 178.8° |
| C1 | O1 | C4, | H19 | 14.7° | 20.8° |
| O1 | C1 | C2 | H23 | 49.8° | 57.7° |
| O5 | C1 | O1 | C4, | 69.9° | 68.8° |
| C1 | O5 | C5 | C4 | 69.3° | 61.1° |
| C1 | O5 | C5 | C6 | 170.8° | 178.9° |
| O5 | C1 | C2 | H23 | 63.4° | 62.3° |
| C1 | O5 | C5 | H28 | 49.4° | 58.8° |
| N1 | C1, | C2, | H5 | 123.1° | 120.0° |
| N1 | C1, | C2, | C3, | 171.8° | 177.6° |
| N1 | C1, | C2, | N2 | 75.0° | 62.6° |
| N1 | C1, | C2, | H6 | 47.2° | 57.7° |
| C1, | C2, | C3, | C4, | 54.3° | 57.0° |
| C1, | C2, | C3, | N2 | 115.3° | 119.9° |
| C1, | C2, | C3, | H6 | 124.1° | 120.0° |
| C1, | C2, | N2 | H6 | 121.6° | 120.3° |
| C1, | C2, | C3, | O3, | 179.1° | 176.9° |
| C1, | C2, | N2 | C36 | 100.1° | 85.0° |
| C2, | C1, | N1 | H4 | 26.9° | 34.9° |
| C1, | C2, | N2 | H7 | 79.8° | 94.9° |
| C1, | C2, | C3, | H20 | 62.2° | 62.8° |
| O1 | C4, | C3, | H19 | 123.0° | 120.1° |
| O1 | C4, | C3, | C2, | 170.7° | 176.9° |
| O1 | C4, | C3, | O3, | 62.4° | 63.2° |
| O1 | C4, | C5, | H15 | 54.7° | 57.5° |
| O1 | C4, | C3, | H20 | 53.9° | 57.0° |
| C4, | O1 | C1 | H22 | 53.9° | 51.3° |
| C4, | C3, | C2, | O3, | 124.8° | 119.9° |
| C4, | C3, | C2, | H20 | 116.5° | 119.8° |
| C4, | C3, | C2, | N2 | 169.6° | 176.9° |
| C4, | C3, | O3, | H20 | 116.0° | 120.2° |
| C4, | C3, | C2, | H6 | 69.7° | 63.0° |
| C3, | C4, | C5, | H15 | 64.2° | 62.4° |
| C4, | C3, | O3, | H21 | 180.0° | 179.6° |
| C4 | C5 | O5 | C6 | 119.8° | 120.0° |
| C4 | C5 | O5 | H28 | 118.8° | 120.0° |
| C4 | C5 | C6 | H28 | 121.3° | 120.0° |
| C5 | C4 | O4 | H26 | 120.5° | 120.2° |
| C4 | C5 | C6 | O6 | 175.1° | 175.0° |
| C5 | C4 | C3 | H25 | 66.2° | 63.0° |
| C5 | C4 | O4 | H27 | 55.9° | 60.3° |
| C4 | C5 | C6 | H29 | 64.7° | 55.0° |
| C4 | C5 | C6 | H30 | 54.9° | 65.0° |
| O5 | C5 | C6 | H28 | 121.9° | 120.1° |
| O5 | C5 | C4 | O4 | 63.1° | 62.3° |
| O5 | C5 | C6 | O6 | 58.3° | 65.0° |
| C5 | O5 | C1 | H22 | 53.2° | 58.8° |
| O5 | C5 | C4 | H26 | 176.0° | 177.6° |
| O5 | C5 | C6 | H29 | 178.5° | 174.9° |
| O5 | C5 | C6 | H30 | 62.0° | 54.9° |
| C6 | C5 | C4 | O4 | 56.2° | 57.7° |
| C5 | C6 | O6 | H29 | 120.2° | 120.0° |
| C5 | C6 | O6 | H30 | 120.2° | 120.0° |
| C6 | C5 | C4 | H26 | 64.7° | 62.5° |
| C5 | C6 | H29 | H30 | 119.3° | 120.0° |
| C5 | C6 | O6 | H31 | 180.0° | 180.0° |
| O4 | C4 | C3 | H25 | 167.6° | 177.1° |
| O4 | C4 | C5 | H28 | 177.5° | 177.7° |
| O31 | C32 | H38 | H39 | 120.0° | 120.0° |
| O31 | C32 | H38 | H40 | 120.0° | 120.0° |
| O31 | C32 | H39 | H40 | 120.0° | 120.0° |
| O6 | C6 | C5 | H28 | 63.6° | 55.0° |
| O6 | C6 | H29 | H30 | 119.3° | 120.0° |
| C3, | C2, | N2 | H6 | 120.7° | 120.1° |
| C2, | C3, | O3, | H20 | 118.6° | 120.2° |
| C3, | C2, | N2 | C36 | 142.1° | 155.3° |
| C3, | C2, | C1, | H5 | 65.1° | 62.4° |
| C3, | C2, | N2 | H7 | 37.9° | 24.7° |
| C2, | C3, | C4, | H19 | 66.3° | 63.0° |
| C2, | C3, | O3, | H21 | 54.5° | 60.0° |
| N2 | C2, | C3, | O3, | 65.6° | 63.2° |
| C2, | N2 | C36 | H7 | 180.0° | 180.0° |
| C2, | N2 | C36 | O37 | 2.5° | 0.0° |
| C2, | N2 | C36 | C38 | 170.6° | 180.0° |
| N2 | C2, | C1, | H5 | 48.1° | 57.5° |
| N2 | C2, | C3, | H20 | 53.1° | 57.1° |
| O3, | C3, | C2, | H6 | 55.1° | 56.9° |
| O3, | C3, | C4, | H19 | 60.6° | 56.9° |
| N2 | C36 | O37 | C38 | 172.8° | 180.0° |
| N2 | C36 | C38 | C39 | 21.3° | 0.0° |
| N2 | C36 | C38 | C43 | 153.6° | 179.7° |
| C36 | N2 | C2, | H6 | 21.4° | 35.2° |
| O37 | C36 | C38 | C39 | 165.3° | 180.0° |
| O37 | C36 | C38 | C43 | 19.8° | 0.2° |
| O37 | C36 | N2 | H7 | 177.5° | 180.0° |
| C36 | C38 | C39 | C43 | 174.3° | 179.7° |
| C36 | C38 | C39 | C40 | 177.4° | 180.0° |
| C36 | C38 | C43 | C42 | 178.5° | 179.7° |
| C38 | C36 | N2 | H7 | 9.4° | 0.0° |
| C36 | C38 | C39 | H8 | 2.6° | 0.0° |
| C36 | C38 | C43 | H14 | 1.5° | 0.1° |
| C38 | C39 | C40 | H8 | 180.0° | 179.9° |
| C39 | C38 | C43 | C42 | 3.4° | 0.5° |
| C38 | C39 | C40 | C41 | 2.9° | 0.1° |
| C38 | C39 | C40 | H9 | 177.1° | 179.9° |
| C39 | C38 | C43 | H14 | 176.6° | 179.7° |
| C43 | C38 | C39 | C40 | 3.1° | 0.2° |
| C38 | C43 | C42 | H14 | 180.0° | 179.8° |
| C38 | C43 | C42 | C41 | 3.5° | 0.5° |
| C38 | C43 | C42 | O44 | 178.4° | 179.7° |
| C43 | C38 | C39 | H8 | 176.9° | 179.7° |
| C39 | C40 | C41 | H9 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 3.2° | 0.1° |
| C39 | C40 | C41 | H10 | 176.8° | 180.0° |
| C43 | C42 | C41 | C40 | 3.5° | 0.2° |
| C43 | C42 | O44 | C45 | 8.8° | 179.7° |
| C43 | C42 | C41 | O44 | 177.8° | 179.8° |
| C43 | C42 | C41 | H10 | 176.5° | 179.7° |
| C40 | C41 | C42 | H10 | 180.0° | 179.9° |
| C40 | C41 | C42 | O44 | 178.6° | 180.0° |
| C41 | C40 | C39 | H8 | 177.1° | 180.0° |
| C45 | O44 | C42 | C41 | 173.2° | 0.1° |
| O44 | C45 | H11 | H12 | 120.0° | 120.1° |
| O44 | C45 | H11 | H13 | 120.0° | 120.0° |
| O44 | C45 | H12 | H13 | 120.0° | 120.0° |
| C42 | C41 | C40 | H9 | 176.8° | 180.0° |
| C41 | C42 | C43 | H14 | 176.5° | 179.7° |
| O44 | C42 | C41 | H10 | 1.4° | 0.1° |
| C42 | O44 | C45 | H11 | 180.0° | 60.1° |
| C42 | O44 | C45 | H12 | 60.0° | 59.9° |
| C42 | O44 | C45 | H13 | 60.0° | 180.0° |
| O44 | C42 | C43 | H14 | 1.7° | 0.1° |
| H1 | C34 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C1, | H5 | 149.1° | 155.0° |
| H5 | C1, | C2, | H6 | 170.2° | 177.7° |
| H6 | C2, | N2 | H7 | 158.6° | 144.8° |
| H6 | C2, | C3, | H20 | 173.8° | 177.2° |
| H8 | C39 | C40 | H9 | 2.9° | 0.1° |
| H9 | C40 | C41 | H10 | 3.2° | 0.1° |
| H11 | C45 | H12 | H13 | 120.0° | 120.0° |
| H15 | C5, | C6, | H16 | 56.1° | 64.5° |
| H15 | C5, | C6, | H17 | 62.9° | 175.6° |
| H15 | C5, | C4, | H19 | 176.2° | 177.6° |
| H16 | C6, | O6, | H18 | 59.5° | 60.0° |
| H17 | C6, | O6, | H18 | 59.5° | 60.0° |
| H19 | C4, | C3, | H20 | 176.9° | 177.1° |
| H20 | C3, | O3, | H21 | 64.0° | 60.3° |
| H22 | C1 | C2 | H23 | 172.8° | 177.7° |
| H23 | C2 | O2 | H24 | 61.1° | 60.1° |
| H23 | C2 | C3 | H25 | 171.0° | 177.0° |
| H25 | C3 | C4 | H26 | 51.6° | 57.0° |
| H26 | C4 | O4 | H27 | 64.5° | 59.8° |
| H26 | C4 | C5 | H28 | 56.7° | 57.6° |
| H28 | C5 | C6 | H29 | 56.6° | 65.0° |
| H28 | C5 | C6 | H30 | 176.1° | 175.0° |
| H29 | C6 | O6 | H31 | 59.8° | 60.0° |
| H30 | C6 | O6 | H31 | 59.7° | 60.0° |
| H34 | C26 | C27 | H35 | 2.2° | 0.1° |
| H35 | C27 | C28 | H36 | 1.0° | 0.0° |
| H38 | C32 | H39 | H40 | 119.9° | 120.1° |
