67F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C32 | sing | 1.43Å | 1.44Å | |
| C43 | C41 | sing | 1.51Å | 1.50Å | |
| O38 | C33 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| O42 | C41 | doub | 1.21Å | 1.22Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C41 | N40 | sing | 1.35Å | 1.34Å | |
| N40 | C31 | sing | 1.46Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C36 | C34 | sing | 1.53Å | 1.54Å | |
| C36 | O37 | sing | 1.43Å | 1.44Å | |
| C34 | O35 | sing | 1.43Å | 1.44Å | |
| C30 | O35 | sing | 1.43Å | 1.44Å | |
| C30 | N29 | sing | 1.46Å | 1.46Å | |
| N29 | C27 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| O19 | C18 | doub | 1.21Å | 1.19Å | |
| C27 | N26 | sing | 1.35Å | 1.35Å | |
| C27 | S28 | doub | 1.71Å | 1.56Å | |
| N26 | C25 | sing | 1.47Å | 1.47Å | |
| O20 | C18 | sing | 1.34Å | 1.27Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C21 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C17 | N16 | sing | 1.46Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | N16 | sing | 1.46Å | 1.49Å | |
| N16 | S13 | sing | 1.66Å | 1.56Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C07 | sing | 1.48Å | 1.48Å | |
| C01 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | S13 | sing | 1.76Å | 1.62Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| S13 | O14 | doub | 1.42Å | 1.42Å | |
| S13 | O15 | doub | 1.42Å | 1.44Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H1 | sing | 1.09Å | 1.10Å | |
| C43 | H2 | sing | 1.09Å | 1.10Å | |
| C43 | H3 | sing | 1.09Å | 1.10Å | |
| N40 | H4 | sing | 0.97Å | 1.00Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| O39 | H7 | sing | 0.97Å | 0.95Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| O38 | H9 | sing | 0.97Å | 0.95Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| O37 | H13 | sing | 0.97Å | 0.95Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| N29 | H15 | sing | 0.97Å | 1.00Å | |
| N26 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| O20 | H29 | sing | 0.97Å | 0.95Å | |
| C09 | H30 | sing | 1.08Å | 1.08Å | |
| C08 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| C06 | H34 | sing | 1.08Å | 1.08Å | |
| C05 | H35 | sing | 1.08Å | 1.08Å | |
| C04 | H36 | sing | 1.08Å | 1.08Å | |
| C03 | H37 | sing | 1.08Å | 1.08Å | |
| C02 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C32 | C33 | 107.8° | 109.6° |
| O39 | C32 | C31 | 111.6° | 109.5° |
| O39 | C32 | H6 | 108.5° | 109.6° |
| C32 | O39 | H7 | 109.5° | 113.9° |
| C43 | C41 | O42 | 119.6° | 120.0° |
| C43 | C41 | N40 | 117.3° | 120.0° |
| C41 | C43 | H1 | 109.5° | 109.5° |
| C41 | C43 | H2 | 109.4° | 109.5° |
| C41 | C43 | H3 | 109.4° | 109.5° |
| O38 | C33 | C32 | 107.9° | 109.5° |
| O38 | C33 | C34 | 110.4° | 109.6° |
| O38 | C33 | H8 | 108.1° | 109.6° |
| C33 | O38 | H9 | 109.5° | 114.0° |
| C33 | C32 | C31 | 114.3° | 109.1° |
| C32 | C33 | C34 | 116.4° | 109.2° |
| C33 | C32 | H6 | 107.2° | 109.6° |
| C32 | C33 | H8 | 106.9° | 109.5° |
| C32 | C31 | N40 | 104.6° | 109.6° |
| C32 | C31 | C30 | 106.0° | 109.2° |
| C32 | C31 | H5 | 108.5° | 109.5° |
| C31 | C32 | H6 | 107.2° | 109.5° |
| O42 | C41 | N40 | 122.6° | 120.0° |
| C33 | C34 | C36 | 110.5° | 109.5° |
| C33 | C34 | O35 | 116.8° | 109.4° |
| C34 | C33 | H8 | 106.8° | 109.5° |
| C33 | C34 | H10 | 107.3° | 109.5° |
| C41 | N40 | C31 | 119.8° | 120.0° |
| C41 | N40 | H4 | 120.1° | 119.9° |
| N40 | C31 | C30 | 119.3° | 109.5° |
| C31 | N40 | H4 | 120.1° | 120.0° |
| N40 | C31 | H5 | 109.4° | 109.5° |
| C31 | C30 | O35 | 107.2° | 109.4° |
| C31 | C30 | N29 | 119.2° | 109.5° |
| C30 | C31 | H5 | 108.5° | 109.6° |
| C31 | C30 | H14 | 106.8° | 109.5° |
| C34 | C36 | O37 | 112.3° | 109.5° |
| C36 | C34 | O35 | 105.8° | 109.5° |
| C36 | C34 | H10 | 107.4° | 109.5° |
| C34 | C36 | H11 | 108.8° | 109.5° |
| C34 | C36 | H12 | 108.8° | 109.5° |
| O37 | C36 | H11 | 108.8° | 109.5° |
| O37 | C36 | H12 | 108.8° | 109.4° |
| C36 | O37 | H13 | 109.5° | 114.0° |
| C34 | O35 | C30 | 120.4° | 114.1° |
| O35 | C34 | H10 | 108.6° | 109.4° |
| O35 | C30 | N29 | 107.3° | 109.5° |
| O35 | C30 | H14 | 108.1° | 109.5° |
| C30 | N29 | C27 | 122.0° | 120.0° |
| N29 | C30 | H14 | 107.7° | 109.5° |
| C30 | N29 | H15 | 119.0° | 120.0° |
| N29 | C27 | N26 | 123.7° | 120.0° |
| N29 | C27 | S28 | 117.2° | 120.0° |
| C27 | N29 | H15 | 119.0° | 120.0° |
| C22 | C21 | C17 | 106.0° | 109.5° |
| C22 | C21 | C23 | 110.1° | 109.5° |
| C22 | C21 | H22 | 107.2° | 109.5° |
| C21 | C22 | H26 | 109.5° | 109.5° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| C21 | C22 | H28 | 109.5° | 109.5° |
| O19 | C18 | O20 | 121.6° | 120.0° |
| O19 | C18 | C17 | 108.6° | 120.0° |
| N26 | C27 | S28 | 119.0° | 120.0° |
| C27 | N26 | C25 | 127.2° | 120.0° |
| C27 | N26 | H16 | 116.4° | 120.0° |
| N26 | C25 | C24 | 112.6° | 109.5° |
| C25 | N26 | H16 | 116.4° | 120.0° |
| N26 | C25 | H17 | 108.7° | 109.5° |
| N26 | C25 | H18 | 108.7° | 109.4° |
| O20 | C18 | C17 | 129.7° | 120.0° |
| C18 | O20 | H29 | 109.5° | 117.0° |
| C18 | C17 | C21 | 111.0° | 109.5° |
| C18 | C17 | N16 | 114.6° | 109.5° |
| C18 | C17 | H21 | 102.7° | 109.5° |
| C17 | C21 | C23 | 118.1° | 109.5° |
| C21 | C17 | N16 | 120.6° | 109.5° |
| C21 | C17 | H21 | 102.4° | 109.5° |
| C17 | C21 | H22 | 107.5° | 109.4° |
| C23 | C21 | H22 | 107.3° | 109.5° |
| C21 | C23 | H23 | 109.5° | 109.5° |
| C21 | C23 | H24 | 109.5° | 109.5° |
| C21 | C23 | H25 | 109.5° | 109.5° |
| C17 | N16 | C24 | 108.7° | 120.0° |
| C17 | N16 | S13 | 132.1° | 120.0° |
| N16 | C17 | H21 | 102.6° | 109.4° |
| C25 | C24 | N16 | 110.5° | 109.5° |
| C24 | C25 | H17 | 108.7° | 109.5° |
| C24 | C25 | H18 | 108.7° | 109.4° |
| C25 | C24 | H19 | 109.2° | 109.5° |
| C25 | C24 | H20 | 109.2° | 109.5° |
| C24 | N16 | S13 | 119.2° | 120.0° |
| N16 | C24 | H19 | 109.2° | 109.5° |
| N16 | C24 | H20 | 109.2° | 109.5° |
| N16 | S13 | C10 | 117.4° | 107.2° |
| N16 | S13 | O14 | 112.2° | 106.4° |
| N16 | S13 | O15 | 104.9° | 106.4° |
| C02 | C03 | C04 | 119.6° | 120.1° |
| C03 | C02 | C01 | 122.1° | 119.9° |
| C02 | C03 | H37 | 120.2° | 120.0° |
| C03 | C02 | H38 | 118.9° | 120.1° |
| C03 | C04 | C05 | 119.0° | 120.3° |
| C03 | C04 | H36 | 120.5° | 119.8° |
| C04 | C03 | H37 | 120.2° | 119.9° |
| C02 | C01 | C07 | 119.8° | 120.1° |
| C02 | C01 | C06 | 118.5° | 119.8° |
| C01 | C02 | H38 | 119.0° | 120.0° |
| C04 | C05 | C06 | 121.8° | 120.1° |
| C04 | C05 | H35 | 119.1° | 119.9° |
| C05 | C04 | H36 | 120.5° | 119.9° |
| C09 | C08 | C07 | 120.7° | 119.9° |
| C08 | C09 | C10 | 121.7° | 120.2° |
| C08 | C09 | H30 | 119.2° | 119.9° |
| C09 | C08 | H31 | 119.6° | 120.0° |
| C08 | C07 | C01 | 119.5° | 120.1° |
| C08 | C07 | C12 | 118.8° | 119.8° |
| C07 | C08 | H31 | 119.7° | 120.1° |
| C07 | C01 | C06 | 121.6° | 120.1° |
| C01 | C07 | C12 | 121.7° | 120.1° |
| C01 | C06 | C05 | 118.9° | 119.8° |
| C01 | C06 | H34 | 120.5° | 120.1° |
| C09 | C10 | S13 | 118.2° | 119.9° |
| C09 | C10 | C11 | 117.5° | 120.2° |
| C10 | C09 | H30 | 119.2° | 119.9° |
| C07 | C12 | C11 | 119.7° | 119.9° |
| C07 | C12 | H33 | 120.1° | 120.1° |
| S13 | C10 | C11 | 124.2° | 119.9° |
| C10 | S13 | O14 | 108.8° | 106.4° |
| C10 | S13 | O15 | 106.9° | 106.4° |
| C10 | C11 | C12 | 121.5° | 120.1° |
| C10 | C11 | H32 | 119.2° | 120.0° |
| O14 | S13 | O15 | 105.8° | 123.1° |
| C12 | C11 | H32 | 119.2° | 119.9° |
| C11 | C12 | H33 | 120.1° | 120.0° |
| C05 | C06 | H34 | 120.5° | 120.1° |
| C06 | C05 | H35 | 119.1° | 119.9° |
| H1 | C43 | H2 | 109.5° | 109.5° |
| H1 | C43 | H3 | 109.5° | 109.5° |
| H2 | C43 | H3 | 109.5° | 109.4° |
| H11 | C36 | H12 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.4° |
| H23 | C23 | H24 | 109.4° | 109.4° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.4° |
| H27 | C22 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C32 | C33 | O38 | 90.4° | 63.2° |
| O39 | C32 | C33 | C31 | 124.7° | 119.9° |
| O39 | C32 | C33 | H6 | 116.6° | 120.3° |
| O39 | C32 | C31 | H6 | 118.7° | 120.2° |
| O39 | C32 | C33 | C34 | 144.9° | 176.8° |
| O39 | C32 | C31 | N40 | 56.5° | 63.2° |
| O39 | C32 | C31 | C30 | 176.6° | 176.9° |
| O39 | C32 | C31 | H5 | 60.2° | 56.9° |
| O39 | C32 | C33 | H8 | 25.7° | 56.9° |
| C43 | C41 | O42 | N40 | 171.7° | 179.7° |
| C43 | C41 | N40 | C31 | 149.5° | 179.7° |
| C41 | C43 | H1 | H2 | 120.0° | 120.0° |
| C41 | C43 | H1 | H3 | 120.0° | 120.0° |
| C41 | C43 | H2 | H3 | 120.0° | 120.0° |
| C43 | C41 | N40 | H4 | 30.5° | 0.3° |
| O38 | C33 | C32 | C34 | 124.7° | 120.0° |
| O38 | C33 | C32 | H8 | 116.1° | 120.2° |
| O38 | C33 | C32 | C31 | 144.8° | 176.9° |
| O38 | C33 | C34 | H8 | 117.3° | 120.2° |
| O38 | C33 | C34 | C36 | 115.3° | 62.5° |
| O38 | C33 | C34 | O35 | 123.6° | 177.5° |
| O38 | C33 | C32 | H6 | 26.2° | 57.1° |
| O38 | C33 | C34 | H10 | 1.5° | 57.6° |
| C33 | C32 | C31 | H6 | 118.6° | 119.9° |
| C32 | C33 | C34 | H8 | 119.3° | 119.9° |
| C33 | C32 | C31 | N40 | 179.2° | 176.9° |
| C33 | C32 | C31 | C30 | 53.9° | 57.0° |
| C32 | C33 | C34 | C36 | 121.3° | 177.6° |
| C32 | C33 | C34 | O35 | 0.2° | 57.6° |
| C33 | C32 | C31 | H5 | 62.4° | 63.0° |
| C33 | C32 | O39 | H7 | 180.0° | 60.0° |
| C32 | C33 | O38 | H9 | 180.0° | 180.0° |
| C32 | C33 | C34 | H10 | 121.9° | 62.3° |
| C31 | C32 | C33 | C34 | 20.1° | 56.9° |
| C32 | C31 | N40 | C41 | 91.7° | 155.3° |
| C32 | C31 | N40 | C30 | 118.3° | 119.7° |
| C32 | C31 | N40 | H5 | 116.0° | 120.1° |
| C32 | C31 | C30 | H5 | 116.3° | 120.0° |
| C32 | C31 | C30 | O35 | 69.6° | 57.6° |
| C32 | C31 | C30 | N29 | 168.4° | 177.6° |
| C32 | C31 | N40 | H4 | 88.3° | 24.7° |
| C31 | C32 | O39 | H7 | 53.7° | 179.6° |
| C31 | C32 | C33 | H8 | 99.1° | 62.9° |
| C32 | C31 | C30 | H14 | 46.1° | 62.4° |
| O42 | C41 | N40 | C31 | 22.3° | 0.0° |
| O42 | C41 | C43 | H1 | 0.0° | 90.0° |
| O42 | C41 | C43 | H2 | 120.0° | 150.0° |
| O42 | C41 | C43 | H3 | 120.0° | 30.0° |
| O42 | C41 | N40 | H4 | 157.7° | 180.0° |
| C33 | C34 | C36 | O35 | 127.4° | 120.0° |
| C33 | C34 | C36 | H10 | 116.7° | 120.1° |
| C33 | C34 | C36 | O37 | 173.1° | 175.0° |
| C33 | C34 | O35 | H10 | 121.4° | 120.0° |
| C33 | C34 | O35 | C30 | 18.4° | 61.2° |
| C34 | C33 | C32 | H6 | 98.5° | 62.9° |
| C34 | C33 | O38 | H9 | 51.8° | 60.3° |
| C33 | C34 | C36 | H11 | 66.4° | 55.0° |
| C33 | C34 | C36 | H12 | 52.7° | 65.0° |
| C41 | N40 | C31 | H4 | 180.0° | 180.0° |
| C41 | N40 | C31 | C30 | 150.1° | 85.0° |
| N40 | C41 | C43 | H1 | 172.1° | 89.7° |
| N40 | C41 | C43 | H2 | 52.1° | 30.3° |
| N40 | C41 | C43 | H3 | 67.9° | 150.3° |
| C41 | N40 | C31 | H5 | 24.4° | 35.2° |
| N40 | C31 | C30 | H5 | 126.2° | 120.1° |
| N40 | C31 | C30 | O35 | 172.8° | 177.6° |
| N40 | C31 | C30 | N29 | 50.8° | 62.5° |
| N40 | C31 | C32 | H6 | 62.2° | 57.0° |
| N40 | C31 | C30 | H14 | 71.5° | 57.6° |
| C31 | C30 | O35 | C34 | 53.9° | 61.2° |
| C31 | C30 | O35 | N29 | 129.2° | 120.0° |
| C31 | C30 | O35 | H14 | 114.9° | 120.0° |
| C31 | C30 | N29 | H14 | 121.8° | 120.1° |
| C31 | C30 | N29 | C27 | 174.2° | 145.0° |
| C30 | C31 | N40 | H4 | 29.9° | 95.0° |
| C30 | C31 | C32 | H6 | 64.8° | 62.9° |
| C31 | C30 | N29 | H15 | 5.7° | 35.0° |
| C34 | C36 | O37 | H11 | 120.4° | 120.1° |
| C34 | C36 | O37 | H12 | 120.5° | 120.0° |
| C36 | C34 | O35 | H10 | 115.1° | 120.0° |
| C36 | C34 | O35 | C30 | 141.9° | 178.8° |
| C36 | C34 | C33 | H8 | 2.0° | 57.7° |
| C34 | C36 | H11 | H12 | 118.7° | 120.0° |
| C34 | C36 | O37 | H13 | 180.0° | 180.0° |
| O37 | C36 | C34 | O35 | 45.8° | 65.0° |
| O37 | C36 | C34 | H10 | 70.1° | 54.9° |
| O37 | C36 | H11 | H12 | 118.7° | 119.9° |
| C34 | O35 | C30 | N29 | 176.9° | 178.9° |
| O35 | C34 | C33 | H8 | 119.0° | 62.3° |
| O35 | C34 | C36 | H11 | 166.2° | 175.0° |
| O35 | C34 | C36 | H12 | 74.7° | 55.0° |
| C34 | O35 | C30 | H14 | 60.9° | 58.8° |
| O35 | C30 | N29 | H14 | 116.2° | 120.0° |
| O35 | C30 | N29 | C27 | 52.3° | 95.1° |
| O35 | C30 | C31 | H5 | 46.7° | 62.4° |
| C30 | O35 | C34 | H10 | 103.0° | 58.8° |
| O35 | C30 | N29 | H15 | 127.7° | 84.9° |
| C30 | N29 | C27 | H15 | 180.0° | 180.0° |
| C30 | N29 | C27 | N26 | 9.7° | 180.0° |
| C30 | N29 | C27 | S28 | 166.2° | 0.0° |
| N29 | C30 | C31 | H5 | 75.3° | 57.6° |
| N29 | C27 | N26 | S28 | 175.8° | 180.0° |
| N29 | C27 | N26 | C25 | 169.9° | 180.0° |
| C27 | N29 | C30 | H14 | 63.9° | 25.0° |
| N29 | C27 | N26 | H16 | 10.1° | 0.0° |
| C22 | C21 | C17 | C18 | 75.2° | 39.6° |
| C22 | C21 | C17 | C23 | 124.1° | 120.1° |
| C22 | C21 | C17 | H22 | 114.4° | 120.0° |
| C22 | C21 | C23 | H22 | 116.4° | 120.1° |
| C22 | C21 | C17 | N16 | 146.7° | 80.3° |
| C22 | C21 | C17 | H21 | 33.8° | 159.7° |
| C22 | C21 | C23 | H23 | 180.0° | 80.5° |
| C22 | C21 | C23 | H24 | 60.0° | 39.5° |
| C22 | C21 | C23 | H25 | 60.0° | 159.5° |
| C21 | C22 | H26 | H27 | 120.0° | 120.0° |
| C21 | C22 | H26 | H28 | 120.0° | 120.0° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| O19 | C18 | O20 | C17 | 177.2° | 180.0° |
| O19 | C18 | C17 | C21 | 148.7° | 124.6° |
| O19 | C18 | C17 | N16 | 70.5° | 4.6° |
| O19 | C18 | C17 | H21 | 39.9° | 115.3° |
| O19 | C18 | O20 | H29 | 0.0° | 0.0° |
| C27 | N26 | C25 | H16 | 180.0° | 180.0° |
| C27 | N26 | C25 | C24 | 109.1° | 180.0° |
| N26 | C27 | N29 | H15 | 170.3° | 0.0° |
| C27 | N26 | C25 | H17 | 11.4° | 60.0° |
| C27 | N26 | C25 | H18 | 130.5° | 60.1° |
| S28 | C27 | N26 | C25 | 5.9° | 0.0° |
| S28 | C27 | N29 | H15 | 13.8° | 180.0° |
| S28 | C27 | N26 | H16 | 174.1° | 180.0° |
| N26 | C25 | C24 | H17 | 120.5° | 120.0° |
| N26 | C25 | C24 | H18 | 120.5° | 119.9° |
| N26 | C25 | C24 | N16 | 127.0° | 171.0° |
| N26 | C25 | H17 | H18 | 118.6° | 120.0° |
| N26 | C25 | C24 | H19 | 6.8° | 51.0° |
| N26 | C25 | C24 | H20 | 112.9° | 69.0° |
| O20 | C18 | C17 | C21 | 28.7° | 55.4° |
| O20 | C18 | C17 | N16 | 112.1° | 175.3° |
| O20 | C18 | C17 | H21 | 137.5° | 64.7° |
| C18 | C17 | C21 | N16 | 138.1° | 120.0° |
| C18 | C17 | C21 | H21 | 109.0° | 120.0° |
| C18 | C17 | C21 | C23 | 160.7° | 159.7° |
| C18 | C17 | N16 | H21 | 110.5° | 120.0° |
| C18 | C17 | N16 | C24 | 128.2° | 75.5° |
| C18 | C17 | N16 | S13 | 51.1° | 104.5° |
| C18 | C17 | C21 | H22 | 39.2° | 80.4° |
| C17 | C18 | O20 | H29 | 177.2° | 180.0° |
| C17 | C21 | C23 | H22 | 121.6° | 119.9° |
| C21 | C17 | N16 | H21 | 112.8° | 120.0° |
| C21 | C17 | N16 | C24 | 95.1° | 44.5° |
| C21 | C17 | N16 | S13 | 85.6° | 135.5° |
| C17 | C21 | C23 | H23 | 58.0° | 39.5° |
| C17 | C21 | C23 | H24 | 178.0° | 159.5° |
| C17 | C21 | C23 | H25 | 62.0° | 80.5° |
| C17 | C21 | C22 | H26 | 180.0° | 96.2° |
| C17 | C21 | C22 | H27 | 60.0° | 143.8° |
| C17 | C21 | C22 | H28 | 60.0° | 23.8° |
| C23 | C21 | C17 | N16 | 22.6° | 39.7° |
| C23 | C21 | C17 | H21 | 90.3° | 80.3° |
| C21 | C23 | H23 | H24 | 120.0° | 120.0° |
| C21 | C23 | H23 | H25 | 120.0° | 120.0° |
| C21 | C23 | H24 | H25 | 120.0° | 120.0° |
| C23 | C21 | C22 | H26 | 51.1° | 143.8° |
| C23 | C21 | C22 | H27 | 171.1° | 23.7° |
| C23 | C21 | C22 | H28 | 68.9° | 96.2° |
| C17 | N16 | C24 | C25 | 86.8° | 82.1° |
| C17 | N16 | C24 | S13 | 179.5° | 180.0° |
| C17 | N16 | S13 | C10 | 59.4° | 90.0° |
| C17 | N16 | S13 | O14 | 67.7° | 23.5° |
| C17 | N16 | S13 | O15 | 177.9° | 156.5° |
| C17 | N16 | C24 | H19 | 33.4° | 157.9° |
| C17 | N16 | C24 | H20 | 153.0° | 37.9° |
| N16 | C17 | C21 | H22 | 98.9° | 159.7° |
| C25 | C24 | N16 | H19 | 120.2° | 120.0° |
| C25 | C24 | N16 | H20 | 120.2° | 120.0° |
| C25 | C24 | N16 | S13 | 92.7° | 97.9° |
| C24 | C25 | N26 | H16 | 70.9° | 0.0° |
| C24 | C25 | H17 | H18 | 118.6° | 120.0° |
| C25 | C24 | H19 | H20 | 119.5° | 120.0° |
| C24 | N16 | S13 | C10 | 119.9° | 90.0° |
| C24 | N16 | S13 | O14 | 113.0° | 156.4° |
| C24 | N16 | S13 | O15 | 1.4° | 23.5° |
| N16 | C24 | C25 | H17 | 112.5° | 68.9° |
| N16 | C24 | C25 | H18 | 6.5° | 51.1° |
| N16 | C24 | H19 | H20 | 119.5° | 120.0° |
| C24 | N16 | C17 | H21 | 17.7° | 164.5° |
| N16 | S13 | C10 | C09 | 81.1° | 89.7° |
| N16 | S13 | C10 | O14 | 128.8° | 113.6° |
| N16 | S13 | C10 | O15 | 117.4° | 113.5° |
| N16 | S13 | C10 | C11 | 102.1° | 90.0° |
| N16 | S13 | O14 | O15 | 113.8° | 123.0° |
| S13 | N16 | C24 | H19 | 147.2° | 22.1° |
| S13 | N16 | C24 | H20 | 27.5° | 142.1° |
| S13 | N16 | C17 | H21 | 161.6° | 15.5° |
| C02 | C03 | C04 | H37 | 180.0° | 179.5° |
| C03 | C02 | C01 | H38 | 180.0° | 179.5° |
| C02 | C03 | C04 | C05 | 0.2° | 0.3° |
| C03 | C02 | C01 | C07 | 179.3° | 179.8° |
| C03 | C02 | C01 | C06 | 1.0° | 0.5° |
| C02 | C03 | C04 | H36 | 179.8° | 179.8° |
| C04 | C03 | C02 | C01 | 0.8° | 0.5° |
| C03 | C04 | C05 | H36 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C03 | C04 | C05 | H35 | 178.9° | 180.0° |
| C04 | C03 | C02 | H38 | 179.2° | 180.0° |
| C02 | C01 | C07 | C08 | 33.7° | 0.3° |
| C02 | C01 | C07 | C06 | 178.3° | 179.7° |
| C02 | C01 | C07 | C12 | 144.6° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.3° |
| C02 | C01 | C06 | H34 | 179.9° | 179.8° |
| C01 | C02 | C03 | H37 | 179.2° | 180.0° |
| C04 | C05 | C06 | C01 | 0.9° | 0.0° |
| C04 | C05 | C06 | H35 | 180.0° | 180.0° |
| C04 | C05 | C06 | H34 | 179.1° | 179.9° |
| C05 | C04 | C03 | H37 | 179.7° | 179.8° |
| C09 | C08 | C07 | H31 | 180.0° | 179.9° |
| C09 | C08 | C07 | C01 | 178.4° | 180.0° |
| C08 | C09 | C10 | H30 | 180.0° | 180.0° |
| C09 | C08 | C07 | C12 | 0.1° | 0.3° |
| C08 | C09 | C10 | S13 | 179.3° | 180.0° |
| C08 | C09 | C10 | C11 | 2.2° | 0.2° |
| C08 | C07 | C01 | C12 | 178.3° | 179.8° |
| C08 | C07 | C01 | C06 | 148.0° | 180.0° |
| C07 | C08 | C09 | C10 | 1.7° | 0.0° |
| C08 | C07 | C12 | C11 | 1.0° | 0.3° |
| C07 | C08 | C09 | H30 | 178.3° | 179.9° |
| C08 | C07 | C12 | H33 | 179.1° | 179.8° |
| C01 | C07 | C12 | C11 | 177.4° | 180.0° |
| C07 | C01 | C06 | C05 | 178.4° | 180.0° |
| C01 | C07 | C08 | H31 | 1.5° | 0.0° |
| C01 | C07 | C12 | H33 | 2.6° | 0.0° |
| C07 | C01 | C06 | H34 | 1.6° | 0.1° |
| C07 | C01 | C02 | H38 | 0.7° | 0.2° |
| C06 | C01 | C07 | C12 | 33.7° | 0.3° |
| C01 | C06 | C05 | H34 | 180.0° | 179.9° |
| C01 | C06 | C05 | H35 | 179.1° | 180.0° |
| C06 | C01 | C02 | H38 | 179.0° | 180.0° |
| C09 | C10 | S13 | C11 | 176.9° | 179.7° |
| C09 | C10 | S13 | O14 | 150.2° | 156.7° |
| C09 | C10 | S13 | O15 | 36.3° | 23.8° |
| C09 | C10 | C11 | C12 | 1.1° | 0.2° |
| C10 | C09 | C08 | H31 | 178.3° | 180.0° |
| C09 | C10 | C11 | H32 | 178.9° | 179.7° |
| C07 | C12 | C11 | C10 | 0.4° | 0.0° |
| C07 | C12 | C11 | H33 | 180.0° | 180.0° |
| C12 | C07 | C08 | H31 | 179.9° | 179.8° |
| C07 | C12 | C11 | H32 | 179.6° | 180.0° |
| C10 | S13 | O14 | O15 | 114.6° | 122.9° |
| S13 | C10 | C11 | C12 | 178.0° | 180.0° |
| S13 | C10 | C09 | H30 | 0.7° | 0.1° |
| S13 | C10 | C11 | H32 | 2.0° | 0.0° |
| C11 | C10 | S13 | O14 | 26.7° | 23.5° |
| C11 | C10 | S13 | O15 | 140.6° | 156.4° |
| C10 | C11 | C12 | H32 | 180.0° | 180.0° |
| C11 | C10 | C09 | H30 | 177.8° | 179.8° |
| C10 | C11 | C12 | H33 | 179.6° | 180.0° |
| C06 | C05 | C04 | H36 | 178.9° | 180.0° |
| H1 | C43 | H2 | H3 | 120.0° | 120.0° |
| H4 | N40 | C31 | H5 | 155.6° | 144.9° |
| H5 | C31 | C32 | H6 | 178.9° | 177.1° |
| H5 | C31 | C30 | H14 | 162.4° | 177.7° |
| H6 | C32 | O39 | H7 | 64.2° | 60.3° |
| H6 | C32 | C33 | H8 | 142.3° | 177.2° |
| H8 | C33 | O38 | H9 | 64.6° | 59.9° |
| H8 | C33 | C34 | H10 | 118.8° | 177.8° |
| H10 | C34 | C36 | H11 | 50.3° | 65.1° |
| H10 | C34 | C36 | H12 | 169.4° | 174.9° |
| H11 | C36 | O37 | H13 | 59.5° | 59.9° |
| H12 | C36 | O37 | H13 | 59.6° | 60.0° |
| H14 | C30 | N29 | H15 | 116.1° | 155.0° |
| H16 | N26 | C25 | H17 | 168.6° | 120.0° |
| H16 | N26 | C25 | H18 | 49.6° | 120.0° |
| H17 | C25 | C24 | H19 | 127.3° | 171.0° |
| H17 | C25 | C24 | H20 | 7.6° | 51.1° |
| H18 | C25 | C24 | H19 | 113.7° | 68.9° |
| H18 | C25 | C24 | H20 | 126.7° | 171.1° |
| H21 | C17 | C21 | H22 | 148.2° | 39.7° |
| H22 | C21 | C23 | H23 | 63.6° | 159.4° |
| H22 | C21 | C23 | H24 | 56.4° | 80.6° |
| H22 | C21 | C23 | H25 | 176.4° | 39.4° |
| H22 | C21 | C22 | H26 | 65.4° | 23.8° |
| H22 | C21 | C22 | H27 | 54.6° | 96.3° |
| H22 | C21 | C22 | H28 | 174.6° | 143.7° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H30 | C09 | C08 | H31 | 1.7° | 0.0° |
| H32 | C11 | C12 | H33 | 0.4° | 0.0° |
| H34 | C06 | C05 | H35 | 0.9° | 0.1° |
| H35 | C05 | C04 | H36 | 1.1° | 0.0° |
| H36 | C04 | C03 | H37 | 0.3° | 0.3° |
| H37 | C03 | C02 | H38 | 0.8° | 0.5° |
