8WD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C44 | doub | 1.22Å | 1.23Å | |
| N01 | C04 | sing | 1.47Å | 1.46Å | |
| C39 | C37 | sing | 1.54Å | 1.54Å | |
| C39 | C24 | sing | 1.54Å | 1.54Å | |
| C17 | C04 | sing | 1.53Å | 1.53Å | |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C06 | C04 | sing | 1.53Å | 1.54Å | |
| C06 | C09 | sing | 1.53Å | 1.53Å | |
| C37 | N42 | sing | 1.46Å | 1.47Å | |
| C37 | C34 | sing | 1.53Å | 1.54Å | |
| C44 | N42 | sing | 1.35Å | 1.38Å | |
| C44 | C46 | sing | 1.48Å | 1.46Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C09 | sing | 1.53Å | 1.53Å | |
| C12 | S20 | sing | 1.81Å | 1.80Å | |
| C24 | N23 | sing | 1.48Å | 1.47Å | |
| C24 | C26 | sing | 1.55Å | 1.54Å | |
| C50 | C46 | sing | 1.42Å | 1.42Å | Aromatic |
| C50 | C49 | doub | 1.35Å | 1.36Å | Aromatic |
| C46 | N47 | doub | 1.31Å | 1.34Å | Aromatic |
| O22 | S20 | doub | 1.42Å | 1.45Å | |
| C54 | C57 | sing | 1.53Å | 1.50Å | |
| C54 | C52 | sing | 1.53Å | 1.50Å | |
| N23 | S20 | sing | 1.66Å | 1.66Å | |
| N23 | C32 | sing | 1.48Å | 1.47Å | |
| C34 | C32 | sing | 1.54Å | 1.54Å | |
| S20 | O21 | doub | 1.42Å | 1.44Å | |
| C26 | C29 | sing | 1.54Å | 1.54Å | |
| C49 | C52 | sing | 1.51Å | 1.48Å | |
| C49 | O48 | sing | 1.34Å | 1.35Å | Aromatic |
| C57 | C52 | sing | 1.53Å | 1.50Å | |
| N47 | O48 | sing | 1.21Å | 1.38Å | Aromatic |
| C32 | C29 | sing | 1.54Å | 1.54Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | 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 | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| N42 | H25 | sing | 0.97Å | 1.00Å | |
| C50 | H26 | sing | 1.08Å | 1.08Å | |
| C52 | H27 | sing | 1.09Å | 1.10Å | |
| C54 | H28 | sing | 1.09Å | 1.10Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C57 | H30 | sing | 1.09Å | 1.10Å | |
| C57 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C44 | N42 | 116.8° | 120.0° |
| O45 | C44 | C46 | 121.3° | 120.0° |
| N01 | C04 | C17 | 110.7° | 109.5° |
| N01 | C04 | C06 | 112.2° | 109.5° |
| C04 | N01 | H1 | 109.5° | 111.0° |
| C04 | N01 | H2 | 109.5° | 111.0° |
| N01 | C04 | H4 | 108.6° | 109.5° |
| C37 | C39 | C24 | 113.1° | 108.8° |
| C39 | C37 | N42 | 110.2° | 109.2° |
| C39 | C37 | C34 | 111.7° | 109.8° |
| C39 | C37 | H22 | 107.3° | 109.6° |
| C37 | C39 | H23 | 108.5° | 109.6° |
| C37 | C39 | H24 | 108.5° | 109.5° |
| C39 | C24 | N23 | 107.5° | 107.3° |
| C39 | C24 | C26 | 114.6° | 107.8° |
| C39 | C24 | H14 | 110.8° | 112.6° |
| C24 | C39 | H23 | 108.6° | 109.5° |
| C24 | C39 | H24 | 108.6° | 109.8° |
| C04 | C17 | C14 | 111.5° | 109.5° |
| C17 | C04 | C06 | 109.9° | 109.5° |
| C17 | C04 | H4 | 107.8° | 109.5° |
| C04 | C17 | H12 | 109.0° | 109.4° |
| C04 | C17 | H13 | 109.0° | 109.5° |
| C17 | C14 | C12 | 112.0° | 109.5° |
| C17 | C14 | H10 | 108.8° | 109.5° |
| C17 | C14 | H11 | 108.9° | 109.4° |
| C14 | C17 | H12 | 109.0° | 109.5° |
| C14 | C17 | H13 | 109.0° | 109.5° |
| C04 | C06 | C09 | 111.0° | 109.5° |
| C06 | C04 | H4 | 107.6° | 109.4° |
| C04 | C06 | H5 | 109.1° | 109.5° |
| C04 | C06 | H6 | 109.1° | 109.4° |
| C06 | C09 | C12 | 112.7° | 109.4° |
| C09 | C06 | H5 | 109.1° | 109.5° |
| C09 | C06 | H6 | 109.1° | 109.5° |
| C06 | C09 | H7 | 108.7° | 109.4° |
| C06 | C09 | H8 | 108.7° | 109.5° |
| N42 | C37 | C34 | 111.8° | 109.5° |
| C37 | N42 | C44 | 130.8° | 120.0° |
| N42 | C37 | H22 | 108.3° | 109.5° |
| C37 | N42 | H25 | 114.6° | 120.0° |
| C37 | C34 | C32 | 113.1° | 108.9° |
| C37 | C34 | H20 | 108.6° | 109.6° |
| C37 | C34 | H21 | 108.6° | 109.7° |
| C34 | C37 | H22 | 107.3° | 109.4° |
| N42 | C44 | C46 | 121.8° | 120.0° |
| C44 | N42 | H25 | 114.6° | 120.0° |
| C44 | C46 | C50 | 130.8° | 127.0° |
| C44 | C46 | N47 | 119.7° | 126.9° |
| C14 | C12 | C09 | 111.2° | 109.5° |
| C14 | C12 | S20 | 108.5° | 109.4° |
| C14 | C12 | H9 | 108.8° | 109.5° |
| C12 | C14 | H10 | 108.9° | 109.5° |
| C12 | C14 | H11 | 108.8° | 109.5° |
| C09 | C12 | S20 | 113.3° | 109.4° |
| C12 | C09 | H7 | 108.7° | 109.5° |
| C12 | C09 | H8 | 108.7° | 109.5° |
| C09 | C12 | H9 | 108.9° | 109.4° |
| C12 | S20 | O22 | 108.5° | 110.5° |
| C12 | S20 | N23 | 105.9° | 104.5° |
| C12 | S20 | O21 | 105.9° | 110.6° |
| S20 | C12 | H9 | 106.0° | 109.5° |
| N23 | C24 | C26 | 101.0° | 104.2° |
| C24 | N23 | S20 | 121.1° | 128.2° |
| C24 | N23 | C32 | 105.6° | 103.6° |
| N23 | C24 | H14 | 111.7° | 112.2° |
| C24 | C26 | C29 | 103.9° | 104.7° |
| C26 | C24 | H14 | 110.8° | 112.2° |
| C24 | C26 | H15 | 110.8° | 110.4° |
| C24 | C26 | H16 | 110.8° | 110.4° |
| C46 | C50 | C49 | 104.6° | 103.9° |
| C50 | C46 | N47 | 109.5° | 106.1° |
| C46 | C50 | H26 | 127.7° | 128.0° |
| C50 | C49 | C52 | 126.7° | 126.7° |
| C50 | C49 | O48 | 110.6° | 106.7° |
| C49 | C50 | H26 | 127.7° | 128.1° |
| C46 | N47 | O48 | 107.2° | 111.5° |
| O22 | S20 | N23 | 108.2° | 104.3° |
| O22 | S20 | O21 | 119.4° | 121.0° |
| C57 | C54 | C52 | 60.1° | 60.0° |
| C54 | C57 | C52 | 60.2° | 60.0° |
| C57 | C54 | H28 | 120.0° | 117.5° |
| C57 | C54 | H29 | 120.0° | 117.5° |
| C54 | C57 | H30 | 120.0° | 117.5° |
| C54 | C57 | H31 | 120.0° | 117.5° |
| C54 | C52 | C49 | 119.9° | 117.5° |
| C54 | C52 | C57 | 59.7° | 60.0° |
| C54 | C52 | H27 | 115.4° | 117.5° |
| C52 | C54 | H28 | 120.0° | 117.5° |
| C52 | C54 | H29 | 120.0° | 117.5° |
| S20 | N23 | C32 | 121.5° | 128.2° |
| N23 | S20 | O21 | 108.3° | 104.3° |
| N23 | C32 | C34 | 106.8° | 107.3° |
| N23 | C32 | C29 | 99.0° | 104.4° |
| N23 | C32 | H19 | 111.9° | 112.2° |
| C34 | C32 | C29 | 116.7° | 107.7° |
| C34 | C32 | H19 | 110.9° | 112.6° |
| C32 | C34 | H20 | 108.6° | 109.6° |
| C32 | C34 | H21 | 108.6° | 109.6° |
| C26 | C29 | C32 | 106.4° | 104.8° |
| C29 | C26 | H15 | 110.8° | 110.3° |
| C29 | C26 | H16 | 110.8° | 110.4° |
| C26 | C29 | H17 | 110.2° | 110.4° |
| C26 | C29 | H18 | 110.2° | 110.4° |
| C52 | C49 | O48 | 122.6° | 126.6° |
| C49 | C52 | C57 | 118.7° | 117.5° |
| C49 | C52 | H27 | 115.9° | 115.5° |
| C49 | O48 | N47 | 108.0° | 111.8° |
| C57 | C52 | H27 | 115.4° | 117.5° |
| C52 | C57 | H30 | 120.0° | 117.5° |
| C52 | C57 | H31 | 120.0° | 117.5° |
| C32 | C29 | H17 | 110.2° | 110.6° |
| C32 | C29 | H18 | 110.3° | 110.3° |
| C29 | C32 | H19 | 110.9° | 112.1° |
| H1 | N01 | H2 | 109.4° | 111.0° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.4° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H15 | C26 | H16 | 109.5° | 110.4° |
| H17 | C29 | H18 | 109.5° | 110.3° |
| H20 | C34 | H21 | 109.4° | 109.6° |
| H23 | C39 | H24 | 109.4° | 109.6° |
| H28 | C54 | H29 | 109.5° | 115.6° |
| H30 | C57 | H31 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C44 | N42 | C37 | 0.0° | 0.0° |
| O45 | C44 | N42 | C46 | 178.3° | 180.0° |
| O45 | C44 | C46 | C50 | 42.8° | 0.2° |
| O45 | C44 | C46 | N47 | 135.4° | 180.0° |
| O45 | C44 | N42 | H25 | 179.9° | 180.0° |
| N01 | C04 | C17 | C06 | 124.4° | 120.0° |
| N01 | C04 | C17 | H4 | 118.6° | 120.0° |
| N01 | C04 | C17 | C14 | 177.9° | 180.0° |
| N01 | C04 | C06 | H4 | 119.4° | 120.0° |
| N01 | C04 | C06 | C09 | 179.6° | 180.0° |
| C04 | N01 | H1 | H2 | 120.0° | 123.9° |
| N01 | C04 | C06 | H5 | 59.4° | 60.0° |
| N01 | C04 | C06 | H6 | 60.1° | 60.0° |
| N01 | C04 | C17 | H12 | 61.7° | 60.0° |
| N01 | C04 | C17 | H13 | 57.6° | 60.0° |
| C37 | C39 | C24 | H23 | 120.6° | 119.8° |
| C37 | C39 | C24 | H24 | 120.5° | 119.9° |
| C39 | C37 | N42 | C34 | 124.8° | 120.2° |
| C39 | C37 | N42 | H22 | 117.1° | 119.9° |
| C39 | C37 | C34 | H22 | 117.4° | 120.2° |
| C39 | C37 | N42 | C44 | 70.6° | 119.9° |
| C37 | C39 | C24 | N23 | 56.1° | 63.9° |
| C37 | C39 | C24 | C26 | 55.2° | 47.9° |
| C39 | C37 | C34 | C32 | 41.0° | 53.6° |
| C37 | C39 | C24 | H14 | 178.5° | 172.2° |
| C39 | C37 | C34 | H20 | 79.5° | 173.5° |
| C39 | C37 | C34 | H21 | 161.5° | 66.2° |
| C37 | C39 | H23 | H24 | 118.3° | 120.2° |
| C39 | C37 | N42 | H25 | 109.3° | 60.1° |
| C24 | C39 | C37 | N42 | 84.8° | 66.4° |
| C24 | C39 | C37 | C34 | 40.2° | 53.6° |
| C39 | C24 | N23 | C26 | 120.4° | 114.2° |
| C39 | C24 | N23 | H14 | 121.8° | 124.2° |
| C39 | C24 | C26 | H14 | 126.3° | 124.6° |
| C39 | C24 | N23 | S20 | 143.6° | 107.4° |
| C39 | C24 | N23 | C32 | 72.9° | 72.8° |
| C39 | C24 | C26 | C29 | 89.3° | 88.6° |
| C39 | C24 | C26 | H15 | 29.8° | 30.1° |
| C39 | C24 | C26 | H16 | 151.6° | 152.5° |
| C24 | C39 | C37 | H22 | 157.6° | 173.7° |
| C24 | C39 | H23 | H24 | 118.3° | 120.5° |
| C04 | C17 | C14 | H12 | 120.3° | 120.0° |
| C04 | C17 | C14 | H13 | 120.3° | 120.0° |
| C17 | C04 | C06 | H4 | 117.1° | 120.0° |
| C17 | C04 | C06 | C09 | 56.8° | 60.0° |
| C04 | C17 | C14 | C12 | 55.9° | 60.0° |
| C17 | C04 | N01 | H1 | 180.0° | 60.0° |
| C17 | C04 | N01 | H2 | 60.0° | 63.9° |
| C17 | C04 | C06 | H5 | 177.0° | 180.0° |
| C17 | C04 | C06 | H6 | 63.4° | 60.0° |
| C04 | C17 | C14 | H10 | 176.2° | 60.0° |
| C04 | C17 | C14 | H11 | 64.5° | 180.0° |
| C04 | C17 | H12 | H13 | 119.0° | 120.0° |
| C14 | C17 | C04 | C06 | 57.7° | 60.0° |
| C17 | C14 | C12 | H10 | 120.4° | 120.0° |
| C17 | C14 | C12 | H11 | 120.4° | 120.0° |
| C17 | C14 | C12 | C09 | 52.3° | 60.1° |
| C17 | C14 | C12 | S20 | 177.5° | 180.0° |
| C14 | C17 | C04 | H4 | 59.3° | 60.0° |
| C17 | C14 | C12 | H9 | 67.6° | 60.0° |
| C17 | C14 | H10 | H11 | 118.9° | 120.0° |
| C14 | C17 | H12 | H13 | 119.1° | 120.0° |
| C04 | C06 | C09 | H5 | 120.2° | 120.0° |
| C04 | C06 | C09 | H6 | 120.2° | 119.9° |
| C04 | C06 | C09 | C12 | 54.9° | 60.0° |
| C06 | C04 | N01 | H1 | 56.9° | 180.0° |
| C06 | C04 | N01 | H2 | 176.9° | 56.1° |
| C04 | C06 | H5 | H6 | 119.3° | 119.9° |
| C04 | C06 | C09 | H7 | 65.6° | 60.0° |
| C04 | C06 | C09 | H8 | 175.4° | 180.0° |
| C06 | C04 | C17 | H12 | 62.7° | 60.0° |
| C06 | C04 | C17 | H13 | 178.0° | 180.0° |
| C06 | C09 | C12 | C14 | 52.1° | 60.0° |
| C06 | C09 | C12 | H7 | 120.5° | 119.9° |
| C06 | C09 | C12 | H8 | 120.5° | 120.0° |
| C06 | C09 | C12 | S20 | 174.7° | 180.0° |
| C09 | C06 | C04 | H4 | 60.3° | 60.0° |
| C09 | C06 | H5 | H6 | 119.3° | 120.0° |
| C06 | C09 | H7 | H8 | 118.5° | 120.0° |
| C06 | C09 | C12 | H9 | 67.7° | 60.1° |
| N42 | C37 | C34 | H22 | 118.6° | 120.0° |
| C37 | N42 | C44 | H25 | 180.0° | 180.0° |
| C37 | N42 | C44 | C46 | 178.3° | 180.0° |
| N42 | C37 | C34 | C32 | 83.0° | 66.2° |
| N42 | C37 | C34 | H20 | 156.4° | 53.7° |
| N42 | C37 | C34 | H21 | 37.5° | 173.9° |
| N42 | C37 | C39 | H23 | 35.8° | 173.9° |
| N42 | C37 | C39 | H24 | 154.7° | 53.7° |
| C34 | C37 | N42 | C44 | 164.6° | 120.0° |
| C37 | C34 | C32 | N23 | 57.8° | 64.0° |
| C37 | C34 | C32 | H20 | 120.6° | 119.8° |
| C37 | C34 | C32 | H21 | 120.6° | 119.9° |
| C37 | C34 | C32 | C29 | 51.8° | 47.9° |
| C37 | C34 | C32 | H19 | 179.9° | 172.1° |
| C37 | C34 | H20 | H21 | 118.4° | 120.4° |
| C34 | C37 | C39 | H23 | 160.7° | 66.1° |
| C34 | C37 | C39 | H24 | 80.4° | 173.7° |
| C34 | C37 | N42 | H25 | 15.5° | 60.0° |
| N42 | C44 | C46 | C50 | 139.0° | 179.7° |
| N42 | C44 | C46 | N47 | 42.9° | 0.0° |
| C44 | N42 | C37 | H22 | 46.5° | 0.1° |
| C44 | C46 | C50 | N47 | 178.3° | 179.8° |
| C44 | C46 | C50 | C49 | 178.7° | 179.9° |
| C44 | C46 | N47 | O48 | 179.2° | 180.0° |
| C46 | C44 | N42 | H25 | 1.6° | 0.0° |
| C44 | C46 | C50 | H26 | 1.3° | 0.0° |
| C14 | C12 | C09 | S20 | 122.5° | 120.0° |
| C14 | C12 | C09 | H9 | 119.8° | 120.1° |
| C14 | C12 | S20 | H9 | 116.7° | 120.1° |
| C14 | C12 | S20 | O22 | 56.9° | 68.4° |
| C14 | C12 | S20 | N23 | 172.9° | 180.0° |
| C14 | C12 | S20 | O21 | 72.3° | 68.4° |
| C14 | C12 | C09 | H7 | 68.4° | 59.9° |
| C14 | C12 | C09 | H8 | 172.6° | 180.0° |
| C12 | C14 | H10 | H11 | 118.8° | 120.0° |
| C12 | C14 | C17 | H12 | 64.5° | 59.9° |
| C12 | C14 | C17 | H13 | 176.2° | 180.0° |
| C09 | C12 | S20 | H9 | 119.3° | 119.9° |
| C09 | C12 | S20 | O22 | 179.1° | 51.6° |
| C09 | C12 | S20 | N23 | 63.1° | 60.0° |
| C09 | C12 | S20 | O21 | 51.7° | 171.6° |
| C12 | C09 | C06 | H5 | 175.2° | 180.0° |
| C12 | C09 | C06 | H6 | 65.3° | 60.0° |
| C12 | C09 | H7 | H8 | 118.5° | 120.1° |
| C09 | C12 | C14 | H10 | 172.7° | 60.0° |
| C09 | C12 | C14 | H11 | 68.1° | 180.0° |
| C12 | S20 | N23 | C24 | 112.1° | 89.7° |
| C12 | S20 | O22 | N23 | 114.4° | 111.7° |
| C12 | S20 | O22 | O21 | 121.2° | 131.5° |
| C12 | S20 | N23 | O21 | 113.1° | 116.1° |
| C12 | S20 | N23 | C32 | 110.2° | 90.0° |
| S20 | C12 | C09 | H7 | 54.2° | 60.1° |
| S20 | C12 | C09 | H8 | 64.8° | 60.0° |
| S20 | C12 | C14 | H10 | 62.1° | 60.0° |
| S20 | C12 | C14 | H11 | 57.1° | 60.0° |
| N23 | C24 | C26 | H14 | 118.5° | 121.6° |
| C24 | N23 | S20 | O22 | 4.0° | 26.4° |
| C24 | N23 | S20 | C32 | 137.7° | 179.7° |
| C24 | N23 | C32 | C34 | 73.5° | 72.8° |
| C24 | N23 | S20 | O21 | 134.7° | 154.2° |
| N23 | C24 | C26 | C29 | 25.8° | 25.2° |
| C24 | N23 | C32 | C29 | 48.1° | 41.4° |
| N23 | C24 | C26 | H15 | 144.9° | 143.9° |
| N23 | C24 | C26 | H16 | 93.3° | 93.7° |
| C24 | N23 | C32 | H19 | 165.0° | 163.0° |
| N23 | C24 | C39 | H23 | 176.7° | 55.9° |
| N23 | C24 | C39 | H24 | 64.4° | 176.3° |
| C26 | C24 | N23 | S20 | 96.0° | 138.4° |
| C26 | C24 | N23 | C32 | 47.5° | 41.4° |
| C24 | C26 | C29 | H15 | 119.1° | 118.8° |
| C24 | C26 | C29 | H16 | 119.1° | 118.9° |
| C24 | C26 | C29 | C32 | 2.3° | 0.2° |
| C24 | C26 | H15 | H16 | 122.6° | 122.4° |
| C24 | C26 | C29 | H17 | 121.8° | 118.8° |
| C24 | C26 | C29 | H18 | 117.2° | 118.9° |
| C26 | C24 | C39 | H23 | 65.4° | 167.7° |
| C26 | C24 | C39 | H24 | 175.8° | 72.0° |
| C46 | C50 | C49 | H26 | 180.0° | 179.9° |
| C46 | C50 | C49 | C52 | 179.5° | 179.8° |
| C46 | C50 | C49 | O48 | 0.0° | 0.3° |
| C50 | C46 | N47 | O48 | 0.7° | 0.2° |
| C49 | C50 | C46 | N47 | 0.5° | 0.3° |
| C50 | C49 | C52 | C54 | 39.2° | 119.8° |
| C50 | C49 | C52 | O48 | 179.4° | 179.8° |
| C50 | C49 | C52 | C57 | 30.4° | 171.5° |
| C50 | C49 | O48 | N47 | 0.4° | 0.2° |
| C50 | C49 | C52 | H27 | 174.6° | 25.9° |
| C46 | N47 | O48 | C49 | 0.7° | 0.0° |
| N47 | C46 | C50 | H26 | 179.5° | 179.8° |
| O22 | S20 | N23 | O21 | 130.7° | 127.8° |
| O22 | S20 | N23 | C32 | 133.7° | 153.9° |
| O22 | S20 | C12 | H9 | 59.8° | 171.6° |
| C57 | C54 | C52 | H28 | 109.5° | 107.5° |
| C57 | C54 | C52 | H29 | 109.5° | 107.5° |
| C54 | C57 | C52 | C49 | 109.9° | 107.5° |
| C54 | C57 | C52 | H30 | 109.5° | 107.5° |
| C54 | C57 | C52 | H31 | 109.5° | 107.5° |
| C57 | C54 | C52 | H27 | 105.9° | 107.5° |
| C57 | C54 | H28 | H29 | 144.7° | 145.6° |
| C54 | C57 | H30 | H31 | 144.7° | 145.7° |
| C54 | C52 | C49 | H27 | 146.2° | 145.7° |
| C54 | C52 | C49 | O48 | 141.4° | 60.0° |
| C52 | C54 | H28 | H29 | 144.7° | 145.7° |
| S20 | N23 | C32 | C34 | 143.2° | 107.4° |
| S20 | N23 | C32 | C29 | 95.2° | 138.4° |
| N23 | S20 | C12 | H9 | 56.2° | 60.0° |
| S20 | N23 | C24 | H14 | 21.9° | 16.8° |
| S20 | N23 | C32 | H19 | 21.8° | 16.7° |
| N23 | C32 | C34 | C29 | 109.6° | 111.9° |
| N23 | C32 | C34 | H19 | 122.2° | 123.9° |
| C32 | N23 | S20 | O21 | 3.0° | 26.1° |
| N23 | C32 | C29 | C26 | 29.5° | 24.8° |
| N23 | C32 | C29 | H19 | 117.7° | 121.7° |
| C32 | N23 | C24 | H14 | 165.3° | 163.0° |
| N23 | C32 | C29 | H17 | 149.0° | 143.8° |
| N23 | C32 | C29 | H18 | 90.0° | 93.9° |
| N23 | C32 | C34 | H20 | 62.8° | 176.2° |
| N23 | C32 | C34 | H21 | 178.3° | 55.9° |
| C34 | C32 | C29 | C26 | 84.5° | 89.0° |
| C34 | C32 | C29 | H19 | 128.2° | 124.4° |
| C34 | C32 | C29 | H17 | 35.0° | 29.9° |
| C34 | C32 | C29 | H18 | 155.9° | 152.2° |
| C32 | C34 | H20 | H21 | 118.3° | 120.2° |
| C32 | C34 | C37 | H22 | 158.4° | 173.9° |
| O21 | S20 | C12 | H9 | 171.0° | 51.7° |
| C26 | C29 | C32 | H17 | 119.5° | 118.9° |
| C26 | C29 | C32 | H18 | 119.5° | 118.8° |
| C29 | C26 | C24 | H14 | 144.3° | 146.8° |
| C29 | C26 | H15 | H16 | 122.6° | 122.3° |
| C26 | C29 | H17 | H18 | 121.4° | 122.2° |
| C26 | C29 | C32 | H19 | 147.2° | 146.6° |
| C49 | C52 | C57 | H27 | 144.3° | 144.9° |
| C52 | C49 | O48 | N47 | 179.9° | 180.0° |
| C52 | C49 | C50 | H26 | 0.5° | 0.0° |
| C49 | C52 | C54 | H28 | 142.8° | 0.0° |
| C49 | C52 | C54 | H29 | 1.7° | 145.0° |
| C49 | C52 | C57 | H30 | 0.4° | 145.0° |
| C49 | C52 | C57 | H31 | 140.6° | 0.0° |
| O48 | C49 | C52 | C57 | 149.0° | 8.7° |
| O48 | C49 | C50 | H26 | 180.0° | 179.8° |
| O48 | C49 | C52 | H27 | 4.8° | 154.3° |
| C52 | C57 | H30 | H31 | 144.6° | 145.7° |
| C32 | C29 | C26 | H15 | 116.8° | 119.0° |
| C32 | C29 | C26 | H16 | 121.4° | 118.7° |
| C32 | C29 | H17 | H18 | 121.4° | 122.3° |
| C29 | C32 | C34 | H20 | 172.4° | 71.9° |
| C29 | C32 | C34 | H21 | 68.7° | 167.9° |
| H1 | N01 | C04 | H4 | 61.9° | 60.0° |
| H2 | N01 | C04 | H4 | 58.1° | 176.0° |
| H4 | C04 | C06 | H5 | 60.0° | 60.0° |
| H4 | C04 | C06 | H6 | 179.5° | 180.0° |
| H4 | C04 | C17 | H12 | 179.7° | 179.9° |
| H4 | C04 | C17 | H13 | 61.0° | 60.0° |
| H5 | C06 | C09 | H7 | 54.7° | 60.0° |
| H5 | C06 | C09 | H8 | 64.3° | 59.9° |
| H6 | C06 | C09 | H7 | 174.2° | 180.0° |
| H6 | C06 | C09 | H8 | 55.2° | 60.1° |
| H7 | C09 | C12 | H9 | 171.8° | 180.0° |
| H8 | C09 | C12 | H9 | 52.8° | 60.0° |
| H9 | C12 | C14 | H10 | 52.8° | NaN° |
| H9 | C12 | C14 | H11 | 172.0° | 60.0° |
| H10 | C14 | C17 | H12 | 55.9° | 180.0° |
| H10 | C14 | C17 | H13 | 63.4° | 59.9° |
| H11 | C14 | C17 | H12 | 175.2° | 60.0° |
| H11 | C14 | C17 | H13 | 55.8° | 60.0° |
| H14 | C24 | C26 | H15 | 96.5° | 94.5° |
| H14 | C24 | C26 | H16 | 25.2° | 27.9° |
| H14 | C24 | C39 | H23 | 61.0° | 68.0° |
| H14 | C24 | C39 | H24 | 57.9° | 52.3° |
| H15 | C26 | C29 | H17 | 2.7° | 0.1° |
| H15 | C26 | C29 | H18 | 123.7° | 122.3° |
| H16 | C26 | C29 | H17 | 119.0° | 122.3° |
| H16 | C26 | C29 | H18 | 1.9° | 0.1° |
| H17 | C29 | C32 | H19 | 93.3° | 94.5° |
| H18 | C29 | C32 | H19 | 27.7° | 27.8° |
| H19 | C32 | C34 | H20 | 59.4° | 52.2° |
| H19 | C32 | C34 | H21 | 59.5° | 68.0° |
| H20 | C34 | C37 | H22 | 37.8° | 66.3° |
| H21 | C34 | C37 | H22 | 81.1° | 54.0° |
| H22 | C37 | C39 | H23 | 81.9° | 54.1° |
| H22 | C37 | C39 | H24 | 37.0° | 66.2° |
| H22 | C37 | N42 | H25 | 133.5° | 179.9° |
| H27 | C52 | C54 | H28 | 3.6° | 145.1° |
| H27 | C52 | C54 | H29 | 144.7° | 0.0° |
| H27 | C52 | C57 | H30 | 144.7° | 0.1° |
| H27 | C52 | C57 | H31 | 3.7° | 144.9° |
| H28 | C54 | C57 | H30 | 141.0° | 145.0° |
| H28 | C54 | C57 | H31 | 0.0° | 0.0° |
| H29 | C54 | C57 | H30 | 0.0° | 0.1° |
| H29 | C54 | C57 | H31 | 141.0° | 145.0° |
