8JY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C03 | sing | 1.36Å | 1.40Å | |
| O09 | C02 | sing | 1.36Å | 1.41Å | |
| C03 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | C04 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C01 | O08 | sing | 1.36Å | 1.40Å | |
| C01 | C06 | doub | 1.39Å | 1.47Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.44Å | Aromatic |
| C05 | O12 | sing | 1.36Å | 1.44Å | |
| O37 | C35 | doub | 1.21Å | 1.23Å | |
| C06 | O07 | sing | 1.36Å | 1.35Å | |
| O12 | C35 | sing | 1.34Å | 1.40Å | |
| C35 | C36 | sing | 1.51Å | 1.57Å | |
| O16 | P13 | doub | 1.48Å | 1.50Å | |
| O07 | P13 | sing | 1.61Å | 1.82Å | |
| C38 | C36 | sing | 1.53Å | 1.59Å | |
| C38 | C39 | sing | 1.53Å | 1.58Å | |
| P13 | O15 | sing | 1.61Å | 1.49Å | |
| P13 | O14 | sing | 1.61Å | 1.75Å | |
| C40 | C39 | sing | 1.53Å | 1.57Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C42 | C41 | sing | 1.53Å | 1.55Å | |
| O14 | C17 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.53Å | 1.62Å | |
| C20 | C18 | sing | 1.53Å | 1.61Å | |
| C20 | O28 | sing | 1.43Å | 1.44Å | |
| C18 | O19 | sing | 1.45Å | 1.46Å | |
| O28 | C29 | sing | 1.43Å | 1.45Å | |
| C30 | C29 | sing | 1.53Å | 1.60Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| O19 | C21 | sing | 1.34Å | 1.36Å | |
| O27 | C21 | doub | 1.21Å | 1.24Å | |
| C31 | C32 | sing | 1.53Å | 1.58Å | |
| C21 | C22 | sing | 1.51Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| O08 | H37 | sing | 0.97Å | 0.95Å | |
| O09 | H38 | sing | 0.97Å | 0.95Å | |
| O10 | H39 | sing | 0.97Å | 0.95Å | |
| O11 | H40 | sing | 0.97Å | 0.95Å | |
| O15 | H41 | sing | 0.97Å | 0.95Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C03 | C02 | 118.7° | 120.0° |
| O10 | C03 | C04 | 121.4° | 119.9° |
| C03 | O10 | H39 | 109.5° | 114.0° |
| O09 | C02 | C03 | 120.9° | 120.0° |
| O09 | C02 | C01 | 119.2° | 120.0° |
| C02 | O09 | H38 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C03 | C02 | C01 | 119.9° | 120.0° |
| C03 | C04 | O11 | 119.7° | 120.1° |
| C03 | C04 | C05 | 122.2° | 119.9° |
| C02 | C01 | O08 | 121.0° | 120.0° |
| C02 | C01 | C06 | 121.1° | 120.0° |
| O11 | C04 | C05 | 118.1° | 120.0° |
| C04 | O11 | H40 | 109.5° | 114.0° |
| C04 | C05 | C06 | 118.4° | 120.0° |
| C04 | C05 | O12 | 121.6° | 120.0° |
| O08 | C01 | C06 | 117.8° | 120.0° |
| C01 | O08 | H37 | 109.5° | 114.0° |
| C01 | C06 | C05 | 118.5° | 120.0° |
| C01 | C06 | O07 | 120.3° | 120.0° |
| C06 | C05 | O12 | 120.0° | 120.0° |
| C05 | C06 | O07 | 121.2° | 120.0° |
| C05 | O12 | C35 | 125.0° | 117.0° |
| O37 | C35 | O12 | 116.3° | 119.9° |
| O37 | C35 | C36 | 117.0° | 120.0° |
| C06 | O07 | P13 | 126.8° | 114.0° |
| O12 | C35 | C36 | 126.7° | 120.0° |
| C35 | C36 | C38 | 116.3° | 109.5° |
| C35 | C36 | H28 | 107.8° | 109.5° |
| C35 | C36 | H47 | 107.7° | 109.4° |
| O16 | P13 | O07 | 107.7° | 109.5° |
| O16 | P13 | O15 | 119.8° | 109.5° |
| O16 | P13 | O14 | 109.9° | 109.5° |
| O07 | P13 | O15 | 101.0° | 109.5° |
| O07 | P13 | O14 | 109.8° | 109.5° |
| C36 | C38 | C39 | 116.5° | 109.5° |
| C38 | C36 | H28 | 107.7° | 109.5° |
| C36 | C38 | H29 | 107.7° | 109.4° |
| C36 | C38 | H46 | 107.7° | 109.4° |
| C38 | C36 | H47 | 107.7° | 109.5° |
| C38 | C39 | C40 | 115.8° | 109.5° |
| C39 | C38 | H29 | 107.7° | 109.5° |
| C38 | C39 | H30 | 107.9° | 109.5° |
| C38 | C39 | H44 | 107.9° | 109.5° |
| C39 | C38 | H46 | 107.7° | 109.5° |
| O15 | P13 | O14 | 108.1° | 109.5° |
| P13 | O15 | H41 | 109.5° | 114.0° |
| P13 | O14 | C17 | 122.0° | 123.0° |
| C39 | C40 | C41 | 115.9° | 109.5° |
| C40 | C39 | H30 | 107.9° | 109.4° |
| C39 | C40 | H31 | 107.8° | 109.4° |
| C39 | C40 | H45 | 107.8° | 109.5° |
| C40 | C39 | H44 | 107.9° | 109.5° |
| C40 | C41 | C42 | 115.1° | 109.5° |
| C41 | C40 | H31 | 107.8° | 109.5° |
| C40 | C41 | H32 | 108.1° | 109.5° |
| C40 | C41 | H33 | 108.1° | 109.5° |
| C41 | C40 | H45 | 107.9° | 109.5° |
| C42 | C41 | H32 | 108.0° | 109.5° |
| C42 | C41 | H33 | 108.1° | 109.4° |
| C41 | C42 | H34 | 109.5° | 109.4° |
| C41 | C42 | H35 | 109.4° | 109.5° |
| C41 | C42 | H36 | 109.5° | 109.5° |
| O14 | C17 | C18 | 111.5° | 109.5° |
| O14 | C17 | H5 | 109.0° | 109.5° |
| O14 | C17 | H6 | 109.0° | 109.4° |
| C17 | C18 | C20 | 110.1° | 109.5° |
| C17 | C18 | O19 | 110.5° | 109.4° |
| C18 | C17 | H5 | 108.9° | 109.4° |
| C18 | C17 | H6 | 109.0° | 109.5° |
| C17 | C18 | H7 | 107.7° | 109.5° |
| C18 | C20 | O28 | 109.3° | 109.5° |
| C20 | C18 | O19 | 111.2° | 109.5° |
| C18 | C20 | H1 | 109.5° | 109.5° |
| C18 | C20 | H2 | 109.5° | 109.5° |
| C20 | C18 | H7 | 107.6° | 109.5° |
| C20 | O28 | C29 | 116.4° | 114.0° |
| O28 | C20 | H1 | 109.5° | 109.5° |
| O28 | C20 | H2 | 109.5° | 109.4° |
| C18 | O19 | C21 | 120.5° | 117.0° |
| O19 | C18 | H7 | 109.6° | 109.4° |
| O28 | C29 | C30 | 112.0° | 109.5° |
| O28 | C29 | H17 | 108.9° | 109.5° |
| O28 | C29 | H18 | 108.8° | 109.5° |
| C29 | C30 | C31 | 114.0° | 109.5° |
| C30 | C29 | H17 | 108.9° | 109.5° |
| C30 | C29 | H18 | 108.9° | 109.4° |
| C29 | C30 | H19 | 108.3° | 109.4° |
| C29 | C30 | H20 | 108.3° | 109.4° |
| C30 | C31 | C32 | 115.2° | 109.5° |
| C31 | C30 | H19 | 108.3° | 109.5° |
| C31 | C30 | H20 | 108.3° | 109.5° |
| C30 | C31 | H21 | 108.0° | 109.5° |
| C30 | C31 | H43 | 108.0° | 109.5° |
| O19 | C21 | O27 | 114.5° | 120.1° |
| O19 | C21 | C22 | 126.3° | 120.0° |
| O27 | C21 | C22 | 119.2° | 120.0° |
| C31 | C32 | C33 | 116.5° | 109.5° |
| C32 | C31 | H21 | 108.0° | 109.5° |
| C31 | C32 | H22 | 107.7° | 109.5° |
| C31 | C32 | H42 | 107.7° | 109.4° |
| C32 | C31 | H43 | 108.0° | 109.4° |
| C21 | C22 | C23 | 118.1° | 109.5° |
| C21 | C22 | H3 | 107.2° | 109.4° |
| C21 | C22 | H4 | 107.3° | 109.5° |
| C22 | C23 | C24 | 116.7° | 109.4° |
| C23 | C22 | H3 | 107.3° | 109.5° |
| C23 | C22 | H4 | 107.2° | 109.6° |
| C22 | C23 | H8 | 107.6° | 109.4° |
| C22 | C23 | H9 | 107.7° | 109.5° |
| C32 | C33 | C34 | 115.2° | 109.5° |
| C33 | C32 | H22 | 107.7° | 109.5° |
| C32 | C33 | H23 | 108.0° | 109.5° |
| C32 | C33 | H24 | 108.0° | 109.5° |
| C33 | C32 | H42 | 107.7° | 109.4° |
| C34 | C33 | H23 | 108.0° | 109.5° |
| C34 | C33 | H24 | 108.0° | 109.5° |
| C33 | C34 | H25 | 109.5° | 109.5° |
| C33 | C34 | H26 | 109.4° | 109.5° |
| C33 | C34 | H27 | 109.5° | 109.5° |
| C23 | C24 | C25 | 116.7° | 109.5° |
| C24 | C23 | H8 | 107.6° | 109.5° |
| C24 | C23 | H9 | 107.6° | 109.5° |
| C23 | C24 | H10 | 107.7° | 109.4° |
| C23 | C24 | H11 | 107.7° | 109.5° |
| C24 | C25 | C26 | 115.3° | 109.5° |
| C25 | C24 | H10 | 107.6° | 109.4° |
| C25 | C24 | H11 | 107.6° | 109.5° |
| C24 | C25 | H12 | 108.0° | 109.4° |
| C24 | C25 | H13 | 108.0° | 109.5° |
| C26 | C25 | H12 | 108.0° | 109.5° |
| C26 | C25 | H13 | 108.0° | 109.5° |
| C25 | C26 | H14 | 109.5° | 109.5° |
| C25 | C26 | H15 | 109.4° | 109.5° |
| C25 | C26 | H16 | 109.5° | 109.5° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.4° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.4° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H16 | 109.4° | 109.4° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.4° | 109.5° |
| H19 | C30 | H20 | 109.4° | 109.5° |
| H21 | C31 | H43 | 109.5° | 109.5° |
| H22 | C32 | H42 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.4° |
| H25 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.4° |
| H28 | C36 | H47 | 109.5° | 109.5° |
| H29 | C38 | H46 | 109.5° | 109.5° |
| H30 | C39 | H44 | 109.5° | 109.5° |
| H31 | C40 | H45 | 109.5° | 109.5° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H34 | C42 | H35 | 109.5° | 109.5° |
| H34 | C42 | H36 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C03 | C02 | O09 | 0.2° | 0.0° |
| O10 | C03 | C02 | C04 | 179.8° | 180.0° |
| O10 | C03 | C02 | C01 | 180.0° | 179.9° |
| O10 | C03 | C04 | O11 | 0.1° | 0.0° |
| O10 | C03 | C04 | C05 | 179.7° | 180.0° |
| O09 | C02 | C03 | C01 | 179.8° | 180.0° |
| O09 | C02 | C03 | C04 | 180.0° | 180.0° |
| O09 | C02 | C01 | O08 | 0.0° | 0.0° |
| O09 | C02 | C01 | C06 | 179.8° | 179.7° |
| C02 | C03 | C04 | O11 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C03 | C02 | C01 | O08 | 179.8° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.3° |
| C03 | C02 | O09 | H38 | 180.0° | 90.0° |
| C02 | C03 | O10 | H39 | 180.0° | 90.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C03 | C04 | O11 | C05 | 179.6° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.3° |
| C03 | C04 | C05 | O12 | 179.5° | 180.0° |
| C04 | C03 | O10 | H39 | 0.2° | 90.0° |
| C03 | C04 | O11 | H40 | 143.4° | 90.0° |
| C02 | C01 | O08 | C06 | 179.8° | 179.7° |
| C02 | C01 | C06 | C05 | 0.0° | 0.5° |
| C02 | C01 | C06 | O07 | 179.7° | 179.7° |
| C02 | C01 | O08 | H37 | 129.9° | 89.8° |
| C01 | C02 | O09 | H38 | 0.2° | 90.0° |
| O11 | C04 | C05 | C06 | 179.8° | 179.8° |
| O11 | C04 | C05 | O12 | 0.9° | 0.1° |
| C04 | C05 | C06 | C01 | 0.3° | 0.5° |
| C04 | C05 | C06 | O12 | 178.9° | 179.7° |
| C04 | C05 | C06 | O07 | 179.4° | 179.7° |
| C04 | C05 | O12 | C35 | 50.7° | 90.0° |
| C05 | C04 | O11 | H40 | 36.2° | 90.0° |
| O08 | C01 | C06 | C05 | 179.8° | 179.8° |
| O08 | C01 | C06 | O07 | 0.5° | 0.0° |
| C01 | C06 | C05 | O07 | 179.7° | 179.8° |
| C01 | C06 | C05 | O12 | 179.2° | 179.7° |
| C01 | C06 | O07 | P13 | 57.1° | 90.0° |
| C06 | C01 | O08 | H37 | 49.9° | 89.9° |
| C06 | C05 | O12 | C35 | 130.4° | 89.8° |
| C05 | C06 | O07 | P13 | 123.2° | 89.7° |
| C05 | O12 | C35 | O37 | 21.8° | 0.0° |
| O12 | C05 | C06 | O07 | 0.4° | 0.0° |
| C05 | O12 | C35 | C36 | 158.6° | 179.9° |
| O37 | C35 | O12 | C36 | 179.6° | 179.9° |
| O37 | C35 | C36 | C38 | 62.3° | 0.1° |
| O37 | C35 | C36 | H28 | 176.6° | 120.0° |
| O37 | C35 | C36 | H47 | 58.7° | 120.1° |
| C06 | O07 | P13 | O16 | 3.8° | 55.0° |
| C06 | O07 | P13 | O15 | 122.6° | 65.0° |
| C06 | O07 | P13 | O14 | 123.5° | 175.0° |
| O12 | C35 | C36 | C38 | 117.2° | 180.0° |
| O12 | C35 | C36 | H28 | 3.8° | 59.9° |
| O12 | C35 | C36 | H47 | 121.8° | 60.0° |
| C35 | C36 | C38 | H28 | 121.0° | 120.0° |
| C35 | C36 | C38 | H47 | 121.0° | 120.0° |
| C35 | C36 | C38 | C39 | 174.6° | 180.0° |
| C35 | C36 | H28 | H47 | 116.9° | 119.9° |
| C35 | C36 | C38 | H29 | 53.6° | 60.0° |
| C35 | C36 | C38 | H46 | 64.4° | 60.0° |
| O16 | P13 | O07 | O15 | 126.4° | 120.0° |
| O16 | P13 | O07 | O14 | 119.7° | 120.0° |
| O16 | P13 | O15 | O14 | 126.8° | 120.0° |
| O16 | P13 | O14 | C17 | 98.9° | 55.0° |
| O16 | P13 | O15 | H41 | 0.0° | 180.0° |
| O07 | P13 | O15 | O14 | 115.2° | 120.0° |
| O07 | P13 | O14 | C17 | 19.5° | 175.0° |
| O07 | P13 | O15 | H41 | 117.9° | 60.0° |
| C36 | C38 | C39 | H29 | 121.0° | 119.9° |
| C36 | C38 | C39 | H46 | 121.0° | 119.9° |
| C36 | C38 | C39 | C40 | 114.5° | 180.0° |
| C38 | C36 | H28 | H47 | 116.9° | 120.0° |
| C36 | C38 | H29 | H46 | 116.8° | 120.0° |
| C36 | C38 | C39 | H30 | 124.6° | 60.0° |
| C36 | C38 | C39 | H44 | 6.4° | 60.0° |
| C38 | C39 | C40 | H30 | 120.9° | 120.0° |
| C38 | C39 | C40 | H44 | 120.9° | 120.0° |
| C38 | C39 | C40 | C41 | 162.2° | 180.0° |
| C39 | C38 | C36 | H28 | 64.4° | 60.0° |
| C39 | C38 | H29 | H46 | 116.8° | 120.1° |
| C38 | C39 | H30 | H44 | 117.1° | 120.0° |
| C38 | C39 | C40 | H31 | 76.9° | 60.0° |
| C38 | C39 | C40 | H45 | 41.3° | 60.0° |
| C39 | C38 | C36 | H47 | 53.6° | 60.0° |
| O15 | P13 | O14 | C17 | 128.8° | 65.0° |
| P13 | O14 | C17 | C18 | 160.0° | 180.0° |
| P13 | O14 | C17 | H5 | 39.8° | 60.0° |
| P13 | O14 | C17 | H6 | 79.7° | 60.0° |
| O14 | P13 | O15 | H41 | 126.8° | 60.0° |
| C39 | C40 | C41 | H31 | 120.9° | 120.0° |
| C39 | C40 | C41 | H45 | 120.9° | 120.0° |
| C39 | C40 | C41 | C42 | 152.0° | 180.0° |
| C40 | C39 | C38 | H29 | 6.5° | 60.1° |
| C40 | C39 | H30 | H44 | 117.1° | 120.0° |
| C39 | C40 | H31 | H45 | 117.0° | 120.0° |
| C39 | C40 | C41 | H32 | 31.2° | 60.0° |
| C39 | C40 | C41 | H33 | 87.2° | 60.0° |
| C40 | C39 | C38 | H46 | 124.4° | 60.0° |
| C40 | C41 | C42 | H32 | 120.8° | 120.0° |
| C40 | C41 | C42 | H33 | 120.8° | 120.0° |
| C41 | C40 | C39 | H30 | 41.3° | 60.0° |
| C41 | C40 | H31 | H45 | 117.1° | 120.0° |
| C40 | C41 | H32 | H33 | 117.4° | 120.1° |
| C40 | C41 | C42 | H34 | 180.0° | 180.0° |
| C40 | C41 | C42 | H35 | 60.0° | 60.0° |
| C40 | C41 | C42 | H36 | 60.0° | 60.0° |
| C41 | C40 | C39 | H44 | 76.9° | 60.0° |
| C42 | C41 | C40 | H31 | 87.1° | 60.0° |
| C42 | C41 | H32 | H33 | 117.5° | 119.9° |
| C41 | C42 | H34 | H35 | 120.0° | 120.0° |
| C41 | C42 | H34 | H36 | 120.0° | 120.0° |
| C41 | C42 | H35 | H36 | 120.0° | 120.0° |
| C42 | C41 | C40 | H45 | 31.0° | 60.0° |
| O14 | C17 | C18 | H5 | 120.3° | 120.0° |
| O14 | C17 | C18 | H6 | 120.3° | 120.0° |
| O14 | C17 | C18 | C20 | 144.7° | 175.0° |
| O14 | C17 | C18 | O19 | 92.1° | 65.0° |
| O14 | C17 | H5 | H6 | 119.1° | 120.0° |
| O14 | C17 | C18 | H7 | 27.6° | 54.9° |
| C17 | C18 | C20 | O19 | 122.8° | 120.0° |
| C17 | C18 | C20 | H7 | 117.1° | 120.0° |
| C17 | C18 | C20 | O28 | 98.9° | 175.0° |
| C17 | C18 | O19 | H7 | 118.5° | 120.0° |
| C17 | C18 | O19 | C21 | 97.9° | 150.0° |
| C17 | C18 | C20 | H1 | 141.2° | 55.0° |
| C17 | C18 | C20 | H2 | 21.1° | 65.0° |
| C18 | C17 | H5 | H6 | 119.1° | 120.0° |
| C18 | C20 | O28 | H1 | 119.9° | 120.0° |
| C18 | C20 | O28 | H2 | 120.0° | 120.0° |
| C20 | C18 | O19 | H7 | 118.9° | 120.0° |
| C18 | C20 | O28 | C29 | 96.9° | 180.0° |
| C20 | C18 | O19 | C21 | 139.6° | 90.0° |
| C18 | C20 | H1 | H2 | 120.1° | 120.0° |
| C20 | C18 | C17 | H5 | 24.4° | 65.0° |
| C20 | C18 | C17 | H6 | 95.0° | 55.0° |
| O28 | C20 | C18 | O19 | 23.9° | 65.0° |
| C20 | O28 | C29 | C30 | 72.7° | 180.0° |
| O28 | C20 | H1 | H2 | 120.1° | 120.0° |
| O28 | C20 | C18 | H7 | 144.0° | 54.9° |
| C20 | O28 | C29 | H17 | 167.0° | 60.0° |
| C20 | O28 | C29 | H18 | 47.7° | 60.0° |
| C18 | O19 | C21 | O27 | 67.7° | 0.1° |
| C18 | O19 | C21 | C22 | 111.3° | 180.0° |
| O19 | C18 | C20 | H1 | 96.0° | 175.0° |
| O19 | C18 | C20 | H2 | 143.9° | 55.0° |
| O19 | C18 | C17 | H5 | 147.6° | 55.0° |
| O19 | C18 | C17 | H6 | 28.2° | 175.1° |
| O28 | C29 | C30 | H17 | 120.4° | 120.1° |
| O28 | C29 | C30 | H18 | 120.4° | 120.0° |
| O28 | C29 | C30 | C31 | 165.2° | 180.0° |
| C29 | O28 | C20 | H1 | 23.1° | 60.0° |
| C29 | O28 | C20 | H2 | 143.2° | 59.9° |
| O28 | C29 | H17 | H18 | 118.8° | 120.0° |
| O28 | C29 | C30 | H19 | 44.5° | 60.0° |
| O28 | C29 | C30 | H20 | 74.1° | 60.0° |
| C29 | C30 | C31 | H19 | 120.7° | 120.0° |
| C29 | C30 | C31 | H20 | 120.7° | 120.0° |
| C29 | C30 | C31 | C32 | 28.6° | 179.9° |
| C30 | C29 | H17 | H18 | 118.9° | 120.0° |
| C29 | C30 | H19 | H20 | 117.9° | 119.9° |
| C29 | C30 | C31 | H21 | 92.2° | 60.0° |
| C29 | C30 | C31 | H43 | 149.4° | 60.0° |
| C30 | C31 | C32 | H21 | 120.8° | 120.0° |
| C30 | C31 | C32 | H43 | 120.8° | 120.0° |
| C30 | C31 | C32 | C33 | 170.2° | 180.0° |
| C31 | C30 | C29 | H17 | 74.4° | 60.0° |
| C31 | C30 | C29 | H18 | 44.8° | 60.0° |
| C31 | C30 | H19 | H20 | 117.9° | 120.1° |
| C30 | C31 | H21 | H43 | 117.4° | 120.1° |
| C30 | C31 | C32 | H22 | 49.2° | 60.0° |
| C30 | C31 | C32 | H42 | 68.8° | 60.1° |
| O19 | C21 | O27 | C22 | 179.1° | 179.9° |
| O19 | C21 | C22 | C23 | 78.7° | 180.0° |
| O19 | C21 | C22 | H3 | 160.1° | 60.0° |
| O19 | C21 | C22 | H4 | 42.5° | 59.9° |
| C21 | O19 | C18 | H7 | 20.6° | 30.0° |
| O27 | C21 | C22 | C23 | 102.3° | 0.1° |
| O27 | C21 | C22 | H3 | 18.9° | 120.0° |
| O27 | C21 | C22 | H4 | 136.5° | 120.0° |
| C31 | C32 | C33 | H22 | 121.0° | 120.0° |
| C31 | C32 | C33 | H42 | 121.0° | 119.9° |
| C31 | C32 | C33 | C34 | 30.4° | 180.0° |
| C32 | C31 | C30 | H19 | 149.3° | 60.0° |
| C32 | C31 | C30 | H20 | 92.1° | 60.1° |
| C32 | C31 | H21 | H43 | 117.4° | 119.9° |
| C31 | C32 | H22 | H42 | 116.8° | 120.0° |
| C31 | C32 | C33 | H23 | 151.3° | 60.0° |
| C31 | C32 | C33 | H24 | 90.4° | 60.0° |
| C21 | C22 | C23 | H3 | 121.2° | 119.9° |
| C21 | C22 | C23 | H4 | 121.3° | 120.0° |
| C21 | C22 | C23 | C24 | 119.8° | 180.0° |
| C21 | C22 | H3 | H4 | 116.1° | 120.0° |
| C21 | C22 | C23 | H8 | 1.3° | 60.1° |
| C21 | C22 | C23 | H9 | 119.2° | 60.0° |
| C22 | C23 | C24 | H8 | 121.1° | 119.9° |
| C22 | C23 | C24 | H9 | 121.1° | 120.0° |
| C22 | C23 | C24 | C25 | 131.0° | 180.0° |
| C23 | C22 | H3 | H4 | 116.1° | 120.1° |
| C22 | C23 | H8 | H9 | 116.7° | 120.0° |
| C22 | C23 | C24 | H10 | 10.0° | 60.1° |
| C22 | C23 | C24 | H11 | 107.9° | 59.9° |
| C32 | C33 | C34 | H23 | 120.9° | 120.0° |
| C32 | C33 | C34 | H24 | 120.8° | 120.0° |
| C33 | C32 | C31 | H21 | 69.0° | 60.0° |
| C33 | C32 | H22 | H42 | 116.8° | 120.0° |
| C32 | C33 | H23 | H24 | 117.4° | 120.0° |
| C32 | C33 | C34 | H25 | 180.0° | 60.0° |
| C32 | C33 | C34 | H26 | 60.0° | 60.0° |
| C32 | C33 | C34 | H27 | 60.0° | 180.0° |
| C33 | C32 | C31 | H43 | 49.4° | 60.0° |
| C34 | C33 | C32 | H22 | 90.6° | 60.0° |
| C34 | C33 | H23 | H24 | 117.4° | 120.0° |
| C33 | C34 | H25 | H26 | 120.0° | 120.0° |
| C33 | C34 | H25 | H27 | 120.0° | 120.0° |
| C33 | C34 | H26 | H27 | 120.0° | 120.0° |
| C34 | C33 | C32 | H42 | 151.4° | 60.0° |
| C23 | C24 | C25 | H10 | 121.1° | 120.0° |
| C23 | C24 | C25 | H11 | 121.1° | 120.1° |
| C23 | C24 | C25 | C26 | 52.7° | 180.0° |
| C24 | C23 | C22 | H3 | 119.0° | 60.1° |
| C24 | C23 | C22 | H4 | 1.5° | 60.0° |
| C24 | C23 | H8 | H9 | 116.7° | 120.1° |
| C23 | C24 | H10 | H11 | 116.7° | 120.0° |
| C23 | C24 | C25 | H12 | 173.5° | 60.1° |
| C23 | C24 | C25 | H13 | 68.2° | 60.0° |
| C24 | C25 | C26 | H12 | 120.9° | 119.9° |
| C24 | C25 | C26 | H13 | 120.9° | 120.0° |
| C25 | C24 | C23 | H8 | 107.9° | 60.1° |
| C25 | C24 | C23 | H9 | 10.0° | 60.0° |
| C25 | C24 | H10 | H11 | 116.7° | 120.0° |
| C24 | C25 | H12 | H13 | 117.3° | 120.0° |
| C24 | C25 | C26 | H14 | 180.0° | 60.0° |
| C24 | C25 | C26 | H15 | 60.0° | 180.0° |
| C24 | C25 | C26 | H16 | 60.0° | 60.0° |
| C26 | C25 | C24 | H10 | 68.4° | 60.0° |
| C26 | C25 | C24 | H11 | 173.7° | 59.9° |
| C26 | C25 | H12 | H13 | 117.3° | 120.0° |
| C25 | C26 | H14 | H15 | 120.0° | 120.0° |
| C25 | C26 | H14 | H16 | 120.0° | 120.0° |
| C25 | C26 | H15 | H16 | 120.0° | 120.0° |
| H1 | C20 | C18 | H7 | 24.1° | 65.1° |
| H2 | C20 | C18 | H7 | 96.0° | 174.9° |
| H3 | C22 | C23 | H8 | 119.9° | 180.0° |
| H3 | C22 | C23 | H9 | 2.0° | 60.0° |
| H4 | C22 | C23 | H8 | 122.5° | 60.0° |
| H4 | C22 | C23 | H9 | 119.6° | 180.0° |
| H5 | C17 | C18 | H7 | 92.7° | 174.9° |
| H6 | C17 | C18 | H7 | 147.9° | 65.0° |
| H8 | C23 | C24 | H10 | 131.1° | 180.0° |
| H8 | C23 | C24 | H11 | 13.2° | 60.0° |
| H9 | C23 | C24 | H10 | 111.0° | 60.0° |
| H9 | C23 | C24 | H11 | 131.0° | 179.9° |
| H10 | C24 | C25 | H12 | 52.5° | 180.0° |
| H10 | C24 | C25 | H13 | 170.7° | 60.0° |
| H11 | C24 | C25 | H12 | 65.4° | 60.0° |
| H11 | C24 | C25 | H13 | 52.9° | 180.0° |
| H12 | C25 | C26 | H14 | 59.1° | 60.0° |
| H12 | C25 | C26 | H15 | 179.2° | 60.0° |
| H12 | C25 | C26 | H16 | 60.8° | 179.9° |
| H13 | C25 | C26 | H14 | 59.1° | 180.0° |
| H13 | C25 | C26 | H15 | 60.9° | 60.0° |
| H13 | C25 | C26 | H16 | 179.1° | 60.0° |
| H14 | C26 | H15 | H16 | 120.0° | 120.0° |
| H17 | C29 | C30 | H19 | 164.9° | 60.0° |
| H17 | C29 | C30 | H20 | 46.3° | 180.0° |
| H18 | C29 | C30 | H19 | 75.9° | 180.0° |
| H18 | C29 | C30 | H20 | 165.5° | 60.0° |
| H19 | C30 | C31 | H21 | 28.5° | 180.0° |
| H19 | C30 | C31 | H43 | 89.9° | 59.9° |
| H20 | C30 | C31 | H21 | 147.1° | 59.9° |
| H20 | C30 | C31 | H43 | 28.7° | 180.0° |
| H21 | C31 | C32 | H22 | 170.0° | 180.0° |
| H21 | C31 | C32 | H42 | 52.0° | 60.0° |
| H22 | C32 | C33 | H23 | 30.3° | 180.0° |
| H22 | C32 | C33 | H24 | 148.6° | 60.0° |
| H22 | C32 | C31 | H43 | 71.6° | 60.0° |
| H23 | C33 | C34 | H25 | 59.2° | 180.0° |
| H23 | C33 | C34 | H26 | 179.1° | 60.0° |
| H23 | C33 | C34 | H27 | 60.9° | 60.0° |
| H23 | C33 | C32 | H42 | 87.7° | 60.0° |
| H24 | C33 | C34 | H25 | 59.2° | 60.0° |
| H24 | C33 | C34 | H26 | 60.8° | 180.0° |
| H24 | C33 | C34 | H27 | 179.2° | 60.0° |
| H24 | C33 | C32 | H42 | 30.6° | 180.0° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
| H28 | C36 | C38 | H29 | 174.6° | 180.0° |
| H28 | C36 | C38 | H46 | 56.7° | 60.0° |
| H29 | C38 | C39 | H30 | 114.4° | 180.0° |
| H29 | C38 | C39 | H44 | 127.4° | 60.0° |
| H29 | C38 | C36 | H47 | 67.4° | 60.0° |
| H30 | C39 | C40 | H31 | 162.2° | 180.0° |
| H30 | C39 | C40 | H45 | 79.7° | 60.0° |
| H30 | C39 | C38 | H46 | 3.5° | 59.9° |
| H31 | C40 | C41 | H32 | 152.1° | 180.0° |
| H31 | C40 | C41 | H33 | 33.7° | 60.0° |
| H31 | C40 | C39 | H44 | 44.0° | 60.0° |
| H32 | C41 | C42 | H34 | 59.2° | 59.9° |
| H32 | C41 | C42 | H35 | 179.2° | 180.0° |
| H32 | C41 | C42 | H36 | 60.8° | 60.0° |
| H32 | C41 | C40 | H45 | 89.8° | 60.0° |
| H33 | C41 | C42 | H34 | 59.2° | 60.0° |
| H33 | C41 | C42 | H35 | 60.8° | 60.0° |
| H33 | C41 | C42 | H36 | 179.2° | 180.0° |
| H33 | C41 | C40 | H45 | 151.9° | 180.0° |
| H34 | C42 | H35 | H36 | 120.0° | 120.0° |
| H42 | C32 | C31 | H43 | 170.4° | 180.0° |
| H45 | C40 | C39 | H44 | 162.2° | 180.0° |
| H44 | C39 | C38 | H46 | 114.7° | 179.9° |
| H46 | C38 | C36 | H47 | 174.7° | 180.0° |
