A1L98
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | O25 | sing | 1.43Å | 1.44Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | O32 | sing | 1.43Å | 1.42Å | |
| O25 | C22 | sing | 1.36Å | 1.41Å | |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| O41 | C40 | doub | 1.21Å | 1.30Å | |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| O32 | C29 | sing | 1.36Å | 1.38Å | |
| O42 | C40 | sing | 1.34Å | 1.26Å | |
| C40 | C39 | sing | 1.51Å | 1.55Å | |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | S16 | sing | 1.76Å | 1.80Å | |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| O17 | S16 | doub | 1.42Å | 1.42Å | |
| S16 | O18 | doub | 1.42Å | 1.40Å | |
| S16 | N12 | sing | 1.66Å | 1.67Å | |
| C31 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C34 | sing | 1.53Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | S13 | sing | 1.76Å | 1.76Å | |
| C33 | C08 | sing | 1.51Å | 1.55Å | |
| N12 | C07 | sing | 1.40Å | 1.40Å | |
| O15 | S13 | doub | 1.42Å | 1.42Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.44Å | Aromatic |
| C07 | C01 | sing | 1.41Å | 1.47Å | Aromatic |
| S13 | O14 | doub | 1.42Å | 1.42Å | |
| S13 | N11 | sing | 1.66Å | 1.65Å | |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C06 | doub | 1.40Å | 1.44Å | Aromatic |
| C01 | C02 | sing | 1.42Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.36Å | 1.41Å | Aromatic |
| C10 | C02 | sing | 1.41Å | 1.44Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.39Å | |
| C02 | C03 | doub | 1.40Å | 1.45Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| N11 | H31 | sing | 0.97Å | 1.00Å | |
| O42 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | O25 | 108.4° | 109.5° |
| C38 | C37 | H24 | 109.7° | 109.4° |
| C38 | C37 | H25 | 109.7° | 109.5° |
| C37 | C38 | H26 | 109.5° | 109.5° |
| C37 | C38 | H27 | 109.5° | 109.4° |
| C37 | C38 | H28 | 109.5° | 109.5° |
| C37 | O25 | C22 | 119.6° | 117.0° |
| O25 | C37 | H24 | 109.7° | 109.5° |
| O25 | C37 | H25 | 109.7° | 109.4° |
| C36 | C35 | O32 | 109.1° | 109.4° |
| C36 | C35 | H19 | 109.6° | 109.5° |
| C36 | C35 | H20 | 109.6° | 109.5° |
| C35 | C36 | H21 | 109.5° | 109.5° |
| C35 | C36 | H22 | 109.4° | 109.5° |
| C35 | C36 | H23 | 109.5° | 109.5° |
| C35 | O32 | C29 | 118.3° | 117.0° |
| O32 | C35 | H19 | 109.6° | 109.5° |
| O32 | C35 | H20 | 109.6° | 109.5° |
| O25 | C22 | C21 | 119.6° | 120.0° |
| O25 | C22 | C23 | 121.0° | 120.0° |
| C22 | C21 | C20 | 118.9° | 119.9° |
| C21 | C22 | C23 | 119.5° | 119.9° |
| C22 | C21 | H3 | 120.6° | 120.0° |
| C21 | C20 | C19 | 123.4° | 120.1° |
| C21 | C20 | H2 | 118.3° | 120.0° |
| C20 | C21 | H3 | 120.6° | 120.1° |
| O41 | C40 | O42 | 121.8° | 120.0° |
| O41 | C40 | C39 | 118.0° | 120.0° |
| C22 | C23 | C24 | 119.4° | 120.0° |
| C22 | C23 | H11 | 120.3° | 120.1° |
| C20 | C19 | C24 | 115.0° | 120.1° |
| C20 | C19 | S16 | 126.1° | 120.0° |
| C19 | C20 | H2 | 118.3° | 119.9° |
| O32 | C29 | C30 | 122.3° | 120.1° |
| O32 | C29 | C28 | 117.8° | 120.1° |
| O42 | C40 | C39 | 120.3° | 120.0° |
| C40 | O42 | H32 | 109.5° | 116.9° |
| C40 | C39 | C34 | 114.9° | 109.5° |
| C40 | C39 | H29 | 108.1° | 109.5° |
| C40 | C39 | H30 | 108.1° | 109.5° |
| C29 | C30 | C31 | 118.0° | 120.0° |
| C30 | C29 | C28 | 119.8° | 119.9° |
| C29 | C30 | H13 | 121.0° | 120.0° |
| C30 | C31 | C26 | 123.3° | 120.0° |
| C31 | C30 | H13 | 120.9° | 120.0° |
| C30 | C31 | H14 | 118.4° | 120.0° |
| C23 | C24 | C19 | 123.9° | 120.0° |
| C23 | C24 | H4 | 118.1° | 120.0° |
| C24 | C23 | H11 | 120.3° | 120.0° |
| C24 | C19 | S16 | 119.0° | 119.9° |
| C19 | C24 | H4 | 118.1° | 120.0° |
| C19 | S16 | O17 | 110.5° | 106.4° |
| C19 | S16 | O18 | 106.0° | 106.4° |
| C19 | S16 | N12 | 106.5° | 107.2° |
| C29 | C28 | C27 | 120.5° | 119.9° |
| C29 | C28 | H5 | 119.7° | 120.0° |
| O17 | S16 | O18 | 115.5° | 123.2° |
| O17 | S16 | N12 | 110.4° | 106.4° |
| O18 | S16 | N12 | 107.5° | 106.4° |
| S16 | N12 | C07 | 125.5° | 120.0° |
| S16 | N12 | H1 | 105.3° | 120.0° |
| C31 | C26 | C27 | 115.4° | 120.1° |
| C31 | C26 | S13 | 122.8° | 120.0° |
| C26 | C31 | H14 | 118.4° | 120.0° |
| C39 | C34 | C33 | 115.3° | 109.5° |
| C39 | C34 | H17 | 108.0° | 109.5° |
| C39 | C34 | H18 | 108.0° | 109.5° |
| C34 | C39 | H29 | 108.1° | 109.5° |
| C34 | C39 | H30 | 108.1° | 109.5° |
| C34 | C33 | C08 | 117.6° | 109.5° |
| C34 | C33 | H15 | 107.4° | 109.4° |
| C34 | C33 | H16 | 107.4° | 109.5° |
| C33 | C34 | H17 | 108.0° | 109.4° |
| C33 | C34 | H18 | 108.0° | 109.5° |
| C28 | C27 | C26 | 122.9° | 120.1° |
| C27 | C28 | H5 | 119.7° | 120.1° |
| C28 | C27 | H12 | 118.5° | 120.0° |
| C27 | C26 | S13 | 121.8° | 120.0° |
| C26 | C27 | H12 | 118.6° | 119.9° |
| C26 | S13 | O15 | 106.5° | 106.4° |
| C26 | S13 | O14 | 108.8° | 106.4° |
| C26 | S13 | N11 | 108.8° | 107.2° |
| C33 | C08 | C07 | 121.7° | 119.6° |
| C33 | C08 | C09 | 119.2° | 119.5° |
| C08 | C33 | H15 | 107.4° | 109.5° |
| C08 | C33 | H16 | 107.4° | 109.5° |
| N12 | C07 | C08 | 122.9° | 120.1° |
| N12 | C07 | C01 | 119.6° | 120.2° |
| C07 | N12 | H1 | 105.3° | 120.0° |
| O15 | S13 | O14 | 115.6° | 123.2° |
| O15 | S13 | N11 | 109.2° | 106.4° |
| C07 | C08 | C09 | 119.1° | 120.9° |
| C08 | C07 | C01 | 117.4° | 119.7° |
| C08 | C09 | C10 | 123.4° | 120.8° |
| C08 | C09 | H10 | 118.3° | 119.6° |
| C07 | C01 | C06 | 117.8° | 121.1° |
| C07 | C01 | C02 | 122.3° | 119.5° |
| O14 | S13 | N11 | 107.8° | 106.4° |
| S13 | N11 | C10 | 124.3° | 120.0° |
| S13 | N11 | H31 | 105.6° | 120.0° |
| C09 | C10 | C02 | 116.3° | 119.7° |
| C09 | C10 | N11 | 119.6° | 120.1° |
| C10 | C09 | H10 | 118.3° | 119.6° |
| C06 | C01 | C02 | 119.9° | 119.4° |
| C01 | C06 | C05 | 119.6° | 119.7° |
| C01 | C06 | H9 | 120.2° | 120.2° |
| C01 | C02 | C10 | 121.4° | 119.5° |
| C01 | C02 | C03 | 120.3° | 119.4° |
| C06 | C05 | C04 | 120.1° | 120.9° |
| C06 | C05 | H8 | 119.9° | 119.5° |
| C05 | C06 | H9 | 120.2° | 120.1° |
| C02 | C10 | N11 | 124.0° | 120.2° |
| C10 | C02 | C03 | 118.2° | 121.1° |
| C10 | N11 | H31 | 105.6° | 120.0° |
| C02 | C03 | C04 | 119.3° | 119.7° |
| C02 | C03 | H6 | 120.3° | 120.1° |
| C05 | C04 | C03 | 120.7° | 120.9° |
| C05 | C04 | H7 | 119.6° | 119.6° |
| C04 | C05 | H8 | 120.0° | 119.5° |
| C04 | C03 | H6 | 120.3° | 120.2° |
| C03 | C04 | H7 | 119.7° | 119.5° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.4° | 109.5° |
| H21 | C36 | H22 | 109.5° | 109.5° |
| H21 | C36 | H23 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H24 | C37 | H25 | 109.4° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H28 | 109.5° | 109.5° |
| H27 | C38 | H28 | 109.4° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | O25 | H24 | 119.9° | 120.0° |
| C38 | C37 | O25 | H25 | 119.8° | 120.0° |
| C38 | C37 | O25 | C22 | 169.5° | 180.0° |
| C38 | C37 | H24 | H25 | 120.5° | 120.0° |
| C37 | C38 | H26 | H27 | 120.0° | 120.0° |
| C37 | C38 | H26 | H28 | 120.0° | 120.0° |
| C37 | C38 | H27 | H28 | 120.0° | 120.0° |
| C37 | O25 | C22 | C21 | 15.6° | 180.0° |
| C37 | O25 | C22 | C23 | 164.7° | 0.0° |
| O25 | C37 | H24 | H25 | 120.5° | 120.0° |
| O25 | C37 | C38 | H26 | 180.0° | 60.0° |
| O25 | C37 | C38 | H27 | 60.0° | 60.0° |
| O25 | C37 | C38 | H28 | 60.0° | 180.0° |
| C36 | C35 | O32 | H19 | 119.9° | 120.0° |
| C36 | C35 | O32 | H20 | 120.0° | 120.0° |
| C36 | C35 | O32 | C29 | 174.2° | 180.0° |
| C36 | C35 | H19 | H20 | 120.2° | 120.0° |
| C35 | C36 | H21 | H22 | 120.0° | 120.1° |
| C35 | C36 | H21 | H23 | 120.0° | 120.0° |
| C35 | C36 | H22 | H23 | 120.0° | 120.0° |
| C35 | O32 | C29 | C30 | 5.0° | 0.5° |
| C35 | O32 | C29 | C28 | 175.1° | 180.0° |
| O32 | C35 | H19 | H20 | 120.2° | 120.0° |
| O32 | C35 | C36 | H21 | 180.0° | 60.0° |
| O32 | C35 | C36 | H22 | 60.0° | 60.0° |
| O32 | C35 | C36 | H23 | 60.0° | 180.0° |
| O25 | C22 | C21 | C23 | 179.8° | 179.9° |
| O25 | C22 | C21 | C20 | 179.7° | 180.0° |
| O25 | C22 | C23 | C24 | 179.6° | 179.7° |
| O25 | C22 | C21 | H3 | 0.3° | 0.1° |
| O25 | C22 | C23 | H11 | 0.4° | 0.0° |
| C22 | O25 | C37 | H24 | 49.7° | 60.0° |
| C22 | O25 | C37 | H25 | 70.6° | 60.1° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C22 | C21 | C20 | H2 | 179.7° | 179.7° |
| C21 | C22 | C23 | H11 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | C19 | H2 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.5° | 0.3° |
| C21 | C20 | C19 | S16 | 179.8° | 179.7° |
| O41 | C40 | O42 | C39 | 179.4° | 179.9° |
| O41 | C40 | C39 | C34 | 3.1° | 2.8° |
| O41 | C40 | C39 | H29 | 123.9° | 117.2° |
| O41 | C40 | C39 | H30 | 117.7° | 122.8° |
| O41 | C40 | O42 | H32 | 0.0° | 0.0° |
| C22 | C23 | C24 | H11 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.0° | 0.6° |
| C23 | C22 | C21 | H3 | 179.9° | 180.0° |
| C22 | C23 | C24 | H4 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.3° | 0.6° |
| C20 | C19 | C24 | S16 | 179.4° | 180.0° |
| C20 | C19 | S16 | O17 | 4.1° | 23.1° |
| C20 | C19 | S16 | O18 | 121.7° | 156.1° |
| C20 | C19 | S16 | N12 | 124.0° | 90.4° |
| C19 | C20 | C21 | H3 | 179.7° | 180.0° |
| C20 | C19 | C24 | H4 | 179.7° | 180.0° |
| O32 | C29 | C30 | C28 | 179.9° | 179.6° |
| O32 | C29 | C30 | C31 | 179.8° | 179.7° |
| O32 | C29 | C28 | C27 | 179.7° | 180.0° |
| O32 | C29 | C28 | H5 | 0.2° | 0.0° |
| O32 | C29 | C30 | H13 | 0.2° | 0.5° |
| C29 | O32 | C35 | H19 | 54.2° | 60.0° |
| C29 | O32 | C35 | H20 | 65.9° | 60.0° |
| O42 | C40 | C39 | C34 | 176.4° | 177.1° |
| O42 | C40 | C39 | H29 | 55.6° | 62.9° |
| O42 | C40 | C39 | H30 | 62.8° | 57.1° |
| C40 | C39 | C34 | H29 | 120.8° | 120.0° |
| C40 | C39 | C34 | H30 | 120.8° | 120.1° |
| C40 | C39 | C34 | C33 | 156.5° | 176.1° |
| C40 | C39 | C34 | H17 | 82.6° | 64.0° |
| C40 | C39 | C34 | H18 | 35.7° | 56.0° |
| C40 | C39 | H29 | H30 | 117.5° | 120.0° |
| C39 | C40 | O42 | H32 | 179.4° | 180.0° |
| C29 | C30 | C31 | H13 | 180.0° | 179.2° |
| C29 | C30 | C31 | C26 | 0.3° | 0.5° |
| C30 | C29 | C28 | C27 | 0.1° | 0.5° |
| C30 | C29 | C28 | H5 | 179.9° | 179.5° |
| C29 | C30 | C31 | H14 | 179.7° | 179.5° |
| C31 | C30 | C29 | C28 | 0.0° | 0.7° |
| C30 | C31 | C26 | H14 | 180.0° | 179.9° |
| C30 | C31 | C26 | C27 | 0.4° | 0.1° |
| C30 | C31 | C26 | S13 | 179.6° | 179.7° |
| C23 | C24 | C19 | H4 | 180.0° | 179.4° |
| C23 | C24 | C19 | S16 | 179.8° | 179.5° |
| C24 | C19 | S16 | O17 | 175.3° | 156.9° |
| C24 | C19 | S16 | O18 | 58.9° | 23.9° |
| C24 | C19 | S16 | N12 | 55.4° | 89.6° |
| C24 | C19 | C20 | H2 | 179.5° | 180.0° |
| C19 | C24 | C23 | H11 | 180.0° | 179.7° |
| C19 | S16 | O17 | O18 | 120.3° | 123.0° |
| C19 | S16 | O17 | N12 | 117.5° | 114.1° |
| C19 | S16 | O18 | N12 | 113.6° | 114.1° |
| C19 | S16 | N12 | C07 | 95.7° | 68.8° |
| C19 | S16 | N12 | H1 | 142.1° | 111.3° |
| S16 | C19 | C20 | H2 | 0.2° | 0.0° |
| S16 | C19 | C24 | H4 | 0.3° | 0.0° |
| C29 | C28 | C27 | H5 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.0° |
| C29 | C28 | C27 | H12 | 180.0° | 180.0° |
| C28 | C29 | C30 | H13 | 180.0° | 180.0° |
| O17 | S16 | O18 | N12 | 123.7° | 123.0° |
| O17 | S16 | N12 | C07 | 24.3° | 177.7° |
| O17 | S16 | N12 | H1 | 97.8° | 2.2° |
| O18 | S16 | N12 | C07 | 151.1° | 44.8° |
| O18 | S16 | N12 | H1 | 28.9° | 135.2° |
| S16 | N12 | C07 | H1 | 122.2° | 179.9° |
| S16 | N12 | C07 | C08 | 89.4° | 111.6° |
| S16 | N12 | C07 | C01 | 87.6° | 67.9° |
| C31 | C26 | C27 | C28 | 0.3° | 0.2° |
| C31 | C26 | C27 | S13 | 179.2° | 179.8° |
| C31 | C26 | S13 | O15 | 34.4° | 156.2° |
| C31 | C26 | S13 | O14 | 159.6° | 23.3° |
| C31 | C26 | S13 | N11 | 83.2° | 90.2° |
| C31 | C26 | C27 | H12 | 179.7° | 179.8° |
| C26 | C31 | C30 | H13 | 179.7° | 179.8° |
| C39 | C34 | C33 | H17 | 120.9° | 120.0° |
| C39 | C34 | C33 | H18 | 120.8° | 120.0° |
| C39 | C34 | C33 | C08 | 159.0° | 179.1° |
| C39 | C34 | C33 | H15 | 79.8° | 60.9° |
| C39 | C34 | C33 | H16 | 37.8° | 59.1° |
| C39 | C34 | H17 | H18 | 117.4° | 120.0° |
| C34 | C39 | H29 | H30 | 117.5° | 120.0° |
| C34 | C33 | C08 | H15 | 121.2° | 120.0° |
| C34 | C33 | C08 | H16 | 121.2° | 120.0° |
| C34 | C33 | C08 | C07 | 125.4° | 103.5° |
| C34 | C33 | C08 | C09 | 55.5° | 76.8° |
| C34 | C33 | H15 | H16 | 116.3° | 120.0° |
| C33 | C34 | H17 | H18 | 117.4° | 120.0° |
| C33 | C34 | C39 | H29 | 35.7° | 56.0° |
| C33 | C34 | C39 | H30 | 82.7° | 63.9° |
| C28 | C27 | C26 | H12 | 180.0° | 179.9° |
| C28 | C27 | C26 | S13 | 179.5° | 180.0° |
| C27 | C26 | S13 | O15 | 146.5° | 23.6° |
| C27 | C26 | S13 | O14 | 21.2° | 156.5° |
| C27 | C26 | S13 | N11 | 96.0° | 90.0° |
| C26 | C27 | C28 | H5 | 179.9° | 180.0° |
| C27 | C26 | C31 | H14 | 179.6° | 180.0° |
| C26 | S13 | O15 | O14 | 121.0° | 122.9° |
| C26 | S13 | O15 | N11 | 117.3° | 114.1° |
| C26 | S13 | O14 | N11 | 117.8° | 114.1° |
| C26 | S13 | N11 | C10 | 62.0° | 64.9° |
| S13 | C26 | C27 | H12 | 0.5° | 0.0° |
| S13 | C26 | C31 | H14 | 0.4° | 0.2° |
| C26 | S13 | N11 | H31 | 60.0° | 115.1° |
| C33 | C08 | C07 | N12 | 2.1° | 0.0° |
| C33 | C08 | C07 | C09 | 179.2° | 179.7° |
| C33 | C08 | C07 | C01 | 179.1° | 179.5° |
| C33 | C08 | C09 | C10 | 178.4° | 179.7° |
| C33 | C08 | C09 | H10 | 1.6° | 0.2° |
| C08 | C33 | H15 | H16 | 116.3° | 120.0° |
| C08 | C33 | C34 | H17 | 38.2° | 59.2° |
| C08 | C33 | C34 | H18 | 80.2° | 60.9° |
| N12 | C07 | C08 | C01 | 177.0° | 179.5° |
| N12 | C07 | C08 | C09 | 178.7° | 179.7° |
| N12 | C07 | C01 | C06 | 2.7° | 0.0° |
| N12 | C07 | C01 | C02 | 180.0° | 180.0° |
| O15 | S13 | O14 | N11 | 122.5° | 123.0° |
| O15 | S13 | N11 | C10 | 53.9° | 178.5° |
| O15 | S13 | N11 | H31 | 175.8° | 1.5° |
| C07 | C08 | C09 | C10 | 0.8° | 0.6° |
| C08 | C07 | C01 | C06 | 179.8° | 179.5° |
| C08 | C07 | C01 | C02 | 2.8° | 0.5° |
| C08 | C07 | N12 | H1 | 148.4° | 68.5° |
| C07 | C08 | C09 | H10 | 179.2° | 179.5° |
| C07 | C08 | C33 | H15 | 4.2° | 136.5° |
| C07 | C08 | C33 | H16 | 113.5° | 16.5° |
| C09 | C08 | C07 | C01 | 1.7° | 0.8° |
| C08 | C09 | C10 | H10 | 180.0° | 179.9° |
| C08 | C09 | C10 | C02 | 2.1° | 0.1° |
| C08 | C09 | C10 | N11 | 179.0° | 179.7° |
| C09 | C08 | C33 | H15 | 176.6° | 43.2° |
| C09 | C08 | C33 | H16 | 65.7° | 163.2° |
| C07 | C01 | C06 | C02 | 177.4° | 180.0° |
| C07 | C01 | C06 | C05 | 178.9° | 180.0° |
| C07 | C01 | C02 | C10 | 1.5° | 0.0° |
| C07 | C01 | C02 | C03 | 178.9° | 180.0° |
| C01 | C07 | N12 | H1 | 34.6° | 112.0° |
| C07 | C01 | C06 | H9 | 1.1° | 0.0° |
| O14 | S13 | N11 | C10 | 179.8° | 48.6° |
| O14 | S13 | N11 | H31 | 57.8° | 131.4° |
| S13 | N11 | C10 | C09 | 84.6° | 67.1° |
| S13 | N11 | C10 | C02 | 92.0° | 113.2° |
| S13 | N11 | C10 | H31 | 122.0° | 180.0° |
| C09 | C10 | C02 | C01 | 1.0° | 0.2° |
| C09 | C10 | C02 | N11 | 176.7° | 179.7° |
| C09 | C10 | C02 | C03 | 178.6° | 179.7° |
| C09 | C10 | N11 | H31 | 37.4° | 112.9° |
| C01 | C06 | C05 | H9 | 180.0° | 179.9° |
| C06 | C01 | C02 | C10 | 178.8° | 180.0° |
| C06 | C01 | C02 | C03 | 1.6° | 0.0° |
| C01 | C06 | C05 | C04 | 1.1° | 0.0° |
| C01 | C06 | C05 | H8 | 178.9° | 180.0° |
| C02 | C01 | C06 | C05 | 1.5° | 0.0° |
| C01 | C02 | C10 | C03 | 179.6° | 180.0° |
| C01 | C02 | C10 | N11 | 177.7° | 180.0° |
| C01 | C02 | C03 | C04 | 1.3° | 0.0° |
| C01 | C02 | C03 | H6 | 178.6° | 180.0° |
| C02 | C01 | C06 | H9 | 178.5° | 180.0° |
| C06 | C05 | C04 | H8 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.0° |
| C06 | C05 | C04 | H7 | 179.1° | 180.0° |
| C10 | C02 | C03 | C04 | 179.0° | 180.0° |
| C10 | C02 | C03 | H6 | 1.0° | 0.0° |
| C02 | C10 | C09 | H10 | 177.9° | 179.9° |
| C02 | C10 | N11 | H31 | 146.0° | 66.8° |
| N11 | C10 | C02 | C03 | 1.9° | 0.0° |
| N11 | C10 | C09 | H10 | 1.0° | 0.2° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H6 | 180.0° | 180.0° |
| C02 | C03 | C04 | H7 | 179.0° | 180.0° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | H6 | 179.1° | 180.0° |
| C04 | C05 | C06 | H9 | 178.9° | 180.0° |
| C03 | C04 | C05 | H8 | 179.1° | 180.0° |
| H2 | C20 | C21 | H3 | 0.3° | 0.4° |
| H4 | C24 | C23 | H11 | 0.0° | 0.3° |
| H5 | C28 | C27 | H12 | 0.1° | 0.0° |
| H6 | C03 | C04 | H7 | 1.0° | 0.0° |
| H7 | C04 | C05 | H8 | 0.9° | 0.0° |
| H8 | C05 | C06 | H9 | 1.1° | 0.0° |
| H13 | C30 | C31 | H14 | 0.3° | 0.3° |
| H15 | C33 | C34 | H17 | 159.3° | 179.1° |
| H15 | C33 | C34 | H18 | 41.0° | 59.1° |
| H16 | C33 | C34 | H17 | 83.0° | 60.9° |
| H16 | C33 | C34 | H18 | 158.7° | 179.1° |
| H17 | C34 | C39 | H29 | 156.6° | 176.0° |
| H17 | C34 | C39 | H30 | 38.2° | 56.1° |
| H18 | C34 | C39 | H29 | 85.1° | 64.0° |
| H18 | C34 | C39 | H30 | 156.5° | 176.1° |
| H19 | C35 | C36 | H21 | 60.1° | 59.9° |
| H19 | C35 | C36 | H22 | 59.9° | 180.0° |
| H19 | C35 | C36 | H23 | 179.9° | 60.0° |
| H20 | C35 | C36 | H21 | 60.0° | 180.0° |
| H20 | C35 | C36 | H22 | 180.0° | 59.9° |
| H20 | C35 | C36 | H23 | 60.0° | 60.1° |
| H21 | C36 | H22 | H23 | 120.0° | 120.0° |
| H24 | C37 | C38 | H26 | 60.2° | 60.0° |
| H24 | C37 | C38 | H27 | 59.9° | 180.0° |
| H24 | C37 | C38 | H28 | 179.8° | 60.0° |
| H25 | C37 | C38 | H26 | 60.1° | 179.9° |
| H25 | C37 | C38 | H27 | 179.8° | 59.9° |
| H25 | C37 | C38 | H28 | 59.9° | 60.0° |
| H26 | C38 | H27 | H28 | 120.0° | 120.1° |
