GX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | O42 | sing | 1.43Å | 1.40Å | |
| O01 | S02 | doub | 1.42Å | 1.45Å | |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| O42 | C41 | sing | 1.36Å | 1.41Å | |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C38 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | S02 | sing | 1.76Å | 1.81Å | |
| C44 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| O46 | S02 | doub | 1.42Å | 1.44Å | |
| S02 | N03 | sing | 1.66Å | 1.71Å | |
| O18 | C19 | sing | 1.43Å | 1.39Å | |
| O18 | C17 | sing | 1.36Å | 1.40Å | |
| C20 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| N03 | C08 | sing | 1.40Å | 1.43Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| O07 | C05 | doub | 1.21Å | 1.26Å | |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | O06 | sing | 1.34Å | 1.24Å | |
| O30 | C29 | sing | 1.36Å | 1.39Å | |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | S13 | sing | 1.76Å | 1.81Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.40Å | 1.44Å | |
| O23 | S13 | doub | 1.42Å | 1.48Å | |
| S13 | N12 | sing | 1.66Å | 1.76Å | |
| S13 | O22 | doub | 1.42Å | 1.45Å | |
| N12 | C24 | sing | 1.46Å | 1.45Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | O27 | doub | 1.21Å | 1.27Å | |
| C25 | O26 | sing | 1.34Å | 1.25Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C35 | H16 | sing | 1.08Å | 1.08Å | |
| C36 | H17 | sing | 1.08Å | 1.08Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.08Å | 1.08Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.08Å | 1.08Å | |
| C45 | H28 | sing | 1.08Å | 1.08Å | |
| O06 | H29 | sing | 0.97Å | 0.95Å | |
| O26 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | O42 | C41 | 114.7° | 117.0° |
| O42 | C43 | H24 | 109.5° | 109.4° |
| O42 | C43 | H25 | 109.5° | 109.5° |
| O42 | C43 | H26 | 109.5° | 109.4° |
| O01 | S02 | C38 | 108.5° | 106.4° |
| O01 | S02 | O46 | 106.7° | 123.2° |
| O01 | S02 | N03 | 113.2° | 106.4° |
| C39 | C40 | C41 | 119.7° | 119.9° |
| C40 | C39 | C38 | 119.3° | 120.0° |
| C40 | C39 | H22 | 120.4° | 120.0° |
| C39 | C40 | H23 | 120.2° | 120.1° |
| C40 | C41 | O42 | 120.8° | 120.1° |
| C40 | C41 | C44 | 120.3° | 119.9° |
| C41 | C40 | H23 | 120.1° | 120.0° |
| O42 | C41 | C44 | 118.9° | 120.1° |
| C39 | C38 | C45 | 121.1° | 120.2° |
| C39 | C38 | S02 | 120.2° | 119.9° |
| C38 | C39 | H22 | 120.4° | 120.0° |
| C41 | C44 | C45 | 120.5° | 120.0° |
| C41 | C44 | H27 | 119.7° | 120.0° |
| C45 | C38 | S02 | 118.7° | 119.9° |
| C38 | C45 | C44 | 119.2° | 120.0° |
| C38 | C45 | H28 | 120.4° | 120.0° |
| C38 | S02 | O46 | 108.7° | 106.4° |
| C38 | S02 | N03 | 105.7° | 107.2° |
| C45 | C44 | H27 | 119.8° | 120.0° |
| C44 | C45 | H28 | 120.4° | 120.0° |
| O46 | S02 | N03 | 113.8° | 106.4° |
| S02 | N03 | C04 | 120.4° | 120.0° |
| S02 | N03 | C08 | 113.8° | 120.0° |
| C19 | O18 | C17 | 113.9° | 117.0° |
| O18 | C19 | H4 | 109.5° | 109.5° |
| O18 | C19 | H5 | 109.5° | 109.5° |
| O18 | C19 | H6 | 109.5° | 109.5° |
| O18 | C17 | C20 | 118.9° | 120.1° |
| O18 | C17 | C16 | 121.2° | 120.1° |
| C17 | C20 | C21 | 119.7° | 120.0° |
| C20 | C17 | C16 | 119.9° | 119.9° |
| C17 | C20 | H7 | 120.1° | 120.0° |
| C20 | C21 | C14 | 120.2° | 120.1° |
| C21 | C20 | H7 | 120.1° | 120.0° |
| C20 | C21 | H8 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.7° | 120.0° |
| C17 | C16 | H3 | 119.7° | 120.0° |
| C04 | N03 | C08 | 125.3° | 120.0° |
| N03 | C04 | C05 | 108.4° | 109.4° |
| N03 | C04 | H18 | 109.7° | 109.5° |
| N03 | C04 | H19 | 109.8° | 109.5° |
| N03 | C08 | C09 | 123.6° | 120.0° |
| N03 | C08 | C29 | 115.3° | 120.0° |
| C34 | C35 | C36 | 120.2° | 119.9° |
| C35 | C34 | C33 | 120.2° | 120.0° |
| C35 | C34 | H15 | 119.9° | 120.0° |
| C34 | C35 | H16 | 119.9° | 120.0° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C36 | C35 | H16 | 119.9° | 120.1° |
| C35 | C36 | H17 | 120.3° | 119.9° |
| C04 | C05 | O07 | 120.4° | 120.0° |
| C04 | C05 | O06 | 116.7° | 120.0° |
| C05 | C04 | H18 | 109.8° | 109.5° |
| C05 | C04 | H19 | 109.7° | 109.5° |
| C34 | C33 | C32 | 119.6° | 120.0° |
| C34 | C33 | H14 | 120.2° | 120.1° |
| C33 | C34 | H15 | 119.9° | 120.0° |
| C36 | C37 | C32 | 120.5° | 120.0° |
| C37 | C36 | H17 | 120.3° | 120.1° |
| C36 | C37 | H21 | 119.7° | 120.0° |
| C21 | C14 | C15 | 120.6° | 120.1° |
| C21 | C14 | S13 | 118.5° | 120.0° |
| C14 | C21 | H8 | 119.9° | 120.0° |
| C16 | C15 | C14 | 118.9° | 120.1° |
| C16 | C15 | H2 | 120.6° | 120.0° |
| C15 | C16 | H3 | 119.6° | 120.0° |
| C33 | C32 | C37 | 120.1° | 120.0° |
| C33 | C32 | C31 | 120.8° | 120.0° |
| C32 | C33 | H14 | 120.2° | 120.0° |
| O07 | C05 | O06 | 122.8° | 120.0° |
| C09 | C08 | C29 | 120.9° | 120.0° |
| C08 | C09 | C10 | 118.9° | 120.1° |
| C08 | C09 | H20 | 120.5° | 120.0° |
| C08 | C29 | O30 | 117.6° | 120.1° |
| C08 | C29 | C28 | 120.6° | 119.9° |
| C37 | C32 | C31 | 119.1° | 120.0° |
| C32 | C37 | H21 | 119.8° | 120.0° |
| C05 | O06 | H29 | 109.5° | 117.0° |
| C29 | O30 | C31 | 117.6° | 117.0° |
| O30 | C29 | C28 | 121.8° | 120.0° |
| O30 | C31 | C32 | 105.2° | 109.4° |
| O30 | C31 | H12 | 110.5° | 109.5° |
| O30 | C31 | H13 | 110.5° | 109.5° |
| C32 | C31 | H12 | 110.5° | 109.5° |
| C32 | C31 | H13 | 110.5° | 109.5° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | H20 | 120.5° | 119.9° |
| C29 | C28 | C11 | 118.7° | 120.0° |
| C29 | C28 | H11 | 120.7° | 120.1° |
| C15 | C14 | S13 | 120.7° | 119.9° |
| C14 | C15 | H2 | 120.6° | 120.0° |
| C14 | S13 | O23 | 111.9° | 106.4° |
| C14 | S13 | N12 | 100.8° | 107.2° |
| C14 | S13 | O22 | 111.8° | 106.4° |
| C10 | C11 | C28 | 120.8° | 120.0° |
| C10 | C11 | N12 | 123.0° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C28 | C11 | N12 | 115.9° | 120.0° |
| C11 | C28 | H11 | 120.7° | 120.0° |
| C11 | N12 | S13 | 117.0° | 120.0° |
| C11 | N12 | C24 | 115.4° | 120.0° |
| O23 | S13 | N12 | 117.2° | 106.4° |
| O23 | S13 | O22 | 103.1° | 123.2° |
| N12 | S13 | O22 | 112.5° | 106.4° |
| S13 | N12 | C24 | 126.4° | 120.0° |
| N12 | C24 | C25 | 117.5° | 109.5° |
| N12 | C24 | H9 | 107.4° | 109.5° |
| N12 | C24 | H10 | 107.4° | 109.5° |
| C24 | C25 | O27 | 122.3° | 120.0° |
| C24 | C25 | O26 | 116.0° | 120.0° |
| C25 | C24 | H9 | 107.4° | 109.5° |
| C25 | C24 | H10 | 107.4° | 109.5° |
| O27 | C25 | O26 | 121.6° | 120.0° |
| C25 | O26 | H30 | 109.5° | 117.1° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H4 | C19 | H6 | 109.5° | 109.4° |
| H5 | C19 | H6 | 109.5° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H12 | C31 | H13 | 109.4° | 109.5° |
| H18 | C04 | H19 | 109.4° | 109.5° |
| H24 | C43 | H25 | 109.4° | 109.5° |
| H24 | C43 | H26 | 109.5° | 109.5° |
| H25 | C43 | H26 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | O42 | C41 | C40 | 19.2° | 175.0° |
| C43 | O42 | C41 | C44 | 161.2° | 5.0° |
| O42 | C43 | H24 | H25 | 120.0° | 120.0° |
| O42 | C43 | H24 | H26 | 120.0° | 119.9° |
| O42 | C43 | H25 | H26 | 120.0° | 120.0° |
| O01 | S02 | C38 | C39 | 39.9° | 28.4° |
| O01 | S02 | C38 | C45 | 141.0° | 151.8° |
| O01 | S02 | C38 | O46 | 115.7° | 133.0° |
| O01 | S02 | C38 | N03 | 121.7° | 113.5° |
| O01 | S02 | O46 | N03 | 125.6° | 123.0° |
| O01 | S02 | N03 | C04 | 35.5° | 18.4° |
| O01 | S02 | N03 | C08 | 151.6° | 161.5° |
| C39 | C40 | C41 | H23 | 180.0° | 180.0° |
| C39 | C40 | C41 | O42 | 179.6° | 180.0° |
| C40 | C39 | C38 | H22 | 180.0° | 180.0° |
| C39 | C40 | C41 | C44 | 0.0° | 0.0° |
| C40 | C39 | C38 | C45 | 0.5° | 0.0° |
| C40 | C39 | C38 | S02 | 179.7° | 179.8° |
| C40 | C41 | O42 | C44 | 179.6° | 180.0° |
| C41 | C40 | C39 | C38 | 0.5° | 0.0° |
| C40 | C41 | C44 | C45 | 0.4° | 0.0° |
| C41 | C40 | C39 | H22 | 179.5° | 180.0° |
| C40 | C41 | C44 | H27 | 179.6° | 180.0° |
| O42 | C41 | C44 | C45 | 180.0° | 180.0° |
| O42 | C41 | C40 | H23 | 0.4° | 0.0° |
| C41 | O42 | C43 | H24 | 180.0° | 55.3° |
| C41 | O42 | C43 | H25 | 60.0° | 64.6° |
| C41 | O42 | C43 | H26 | 60.0° | 175.3° |
| O42 | C41 | C44 | H27 | 0.0° | 0.0° |
| C39 | C38 | C45 | S02 | 179.1° | 179.7° |
| C39 | C38 | C45 | C44 | 0.1° | 0.0° |
| C39 | C38 | S02 | O46 | 155.6° | 161.4° |
| C39 | C38 | S02 | N03 | 81.9° | 85.1° |
| C38 | C39 | C40 | H23 | 179.5° | 180.0° |
| C39 | C38 | C45 | H28 | 179.9° | 179.7° |
| C41 | C44 | C45 | C38 | 0.4° | 0.0° |
| C41 | C44 | C45 | H27 | 180.0° | 180.0° |
| C44 | C41 | C40 | H23 | 180.0° | 180.0° |
| C41 | C44 | C45 | H28 | 179.6° | 179.7° |
| C38 | C45 | C44 | H28 | 180.0° | 179.7° |
| C45 | C38 | S02 | O46 | 25.3° | 18.8° |
| C45 | C38 | S02 | N03 | 97.3° | 94.7° |
| C45 | C38 | C39 | H22 | 179.4° | 180.0° |
| C38 | C45 | C44 | H27 | 179.6° | 180.0° |
| S02 | C38 | C45 | C44 | 179.3° | 179.7° |
| C38 | S02 | O46 | N03 | 117.5° | 114.0° |
| C38 | S02 | N03 | C04 | 83.2° | 95.1° |
| C38 | S02 | N03 | C08 | 89.7° | 85.0° |
| S02 | C38 | C39 | H22 | 0.3° | 0.2° |
| S02 | C38 | C45 | H28 | 0.7° | 0.0° |
| O46 | S02 | N03 | C04 | 157.5° | 151.5° |
| O46 | S02 | N03 | C08 | 29.5° | 28.4° |
| S02 | N03 | C04 | C08 | 172.0° | 179.9° |
| S02 | N03 | C04 | C05 | 133.9° | 95.1° |
| S02 | N03 | C08 | C09 | 80.3° | 94.4° |
| S02 | N03 | C08 | C29 | 94.3° | 86.2° |
| S02 | N03 | C04 | H18 | 14.0° | 145.0° |
| S02 | N03 | C04 | H19 | 106.3° | 24.9° |
| C19 | O18 | C17 | C20 | 175.1° | 0.0° |
| C19 | O18 | C17 | C16 | 5.0° | 180.0° |
| O18 | C19 | H4 | H5 | 120.0° | 120.0° |
| O18 | C19 | H4 | H6 | 120.0° | 120.0° |
| O18 | C19 | H5 | H6 | 120.0° | 120.0° |
| O18 | C17 | C20 | C16 | 179.9° | 180.0° |
| O18 | C17 | C20 | C21 | 180.0° | 179.8° |
| O18 | C17 | C16 | C15 | 179.7° | 180.0° |
| O18 | C17 | C16 | H3 | 0.3° | 0.0° |
| C17 | O18 | C19 | H4 | 180.0° | 60.0° |
| C17 | O18 | C19 | H5 | 60.0° | 60.0° |
| C17 | O18 | C19 | H6 | 60.0° | 180.0° |
| O18 | C17 | C20 | H7 | 0.0° | 0.1° |
| C17 | C20 | C21 | H7 | 180.0° | 179.8° |
| C17 | C20 | C21 | C14 | 1.2° | 0.5° |
| C20 | C17 | C16 | C15 | 0.2° | 0.0° |
| C20 | C17 | C16 | H3 | 179.8° | 180.0° |
| C17 | C20 | C21 | H8 | 178.8° | 180.0° |
| C21 | C20 | C17 | C16 | 0.1° | 0.2° |
| C20 | C21 | C14 | H8 | 180.0° | 179.5° |
| C20 | C21 | C14 | C15 | 2.0° | 0.5° |
| C20 | C21 | C14 | S13 | 178.3° | 179.7° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H2 | 179.4° | 179.9° |
| C16 | C17 | C20 | H7 | 179.9° | 180.0° |
| N03 | C04 | C05 | H18 | 119.8° | 120.0° |
| N03 | C04 | C05 | H19 | 119.9° | 120.0° |
| N03 | C04 | C05 | O07 | 38.9° | 0.0° |
| C04 | N03 | C08 | C09 | 107.2° | 85.7° |
| C04 | N03 | C08 | C29 | 78.2° | 93.7° |
| N03 | C04 | C05 | O06 | 141.6° | 180.0° |
| N03 | C04 | H18 | H19 | 120.5° | 120.0° |
| C08 | N03 | C04 | C05 | 54.1° | 85.1° |
| N03 | C08 | C09 | C29 | 174.3° | 179.5° |
| N03 | C08 | C29 | O30 | 4.4° | 0.3° |
| N03 | C08 | C09 | C10 | 175.9° | 180.0° |
| N03 | C08 | C29 | C28 | 176.7° | 179.8° |
| C08 | N03 | C04 | H18 | 173.9° | 34.9° |
| C08 | N03 | C04 | H19 | 65.8° | 155.0° |
| N03 | C08 | C09 | H20 | 4.0° | 0.5° |
| C34 | C35 | C36 | H16 | 180.0° | 180.0° |
| C35 | C34 | C33 | H15 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.3° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C35 | C34 | C33 | H14 | 179.8° | 180.0° |
| C34 | C35 | C36 | H17 | 179.8° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.0° |
| C35 | C36 | C37 | H17 | 180.0° | 179.7° |
| C35 | C36 | C37 | C32 | 0.2° | 0.6° |
| C36 | C35 | C34 | H15 | 180.0° | 180.0° |
| C35 | C36 | C37 | H21 | 179.8° | 180.0° |
| C04 | C05 | O07 | O06 | 179.5° | 180.0° |
| C05 | C04 | H18 | H19 | 120.5° | 120.0° |
| C04 | C05 | O06 | H29 | 179.5° | 180.0° |
| C34 | C33 | C32 | H14 | 180.0° | 180.0° |
| C34 | C33 | C32 | C37 | 0.2° | 0.3° |
| C34 | C33 | C32 | C31 | 180.0° | 180.0° |
| C33 | C34 | C35 | H16 | 180.0° | 179.9° |
| C36 | C37 | C32 | C33 | 0.0° | 0.6° |
| C36 | C37 | C32 | H21 | 180.0° | 179.4° |
| C36 | C37 | C32 | C31 | 179.8° | 179.7° |
| C37 | C36 | C35 | H16 | 179.8° | 179.7° |
| C21 | C14 | C15 | C16 | 1.6° | 0.3° |
| C21 | C14 | C15 | S13 | 176.3° | 179.8° |
| C21 | C14 | S13 | O23 | 42.0° | 159.0° |
| C21 | C14 | S13 | N12 | 83.3° | 87.4° |
| C21 | C14 | S13 | O22 | 157.0° | 26.1° |
| C21 | C14 | C15 | H2 | 178.3° | 179.8° |
| C14 | C21 | C20 | H7 | 178.8° | 179.7° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | S13 | 177.9° | 180.0° |
| C33 | C32 | C37 | C31 | 179.8° | 179.7° |
| C33 | C32 | C31 | O30 | 135.8° | 85.0° |
| C33 | C32 | C31 | H12 | 16.4° | 155.0° |
| C33 | C32 | C31 | H13 | 104.9° | 35.0° |
| C32 | C33 | C34 | H15 | 179.8° | 180.0° |
| C33 | C32 | C37 | H21 | 180.0° | 180.0° |
| O07 | C05 | C04 | H18 | 80.9° | 120.0° |
| O07 | C05 | C04 | H19 | 158.7° | 120.0° |
| O07 | C05 | O06 | H29 | 0.0° | 0.0° |
| C09 | C08 | C29 | O30 | 179.1° | 179.8° |
| C08 | C09 | C10 | H20 | 180.0° | 179.5° |
| C09 | C08 | C29 | C28 | 1.9° | 0.3° |
| C08 | C09 | C10 | C11 | 0.4° | 0.6° |
| C08 | C09 | C10 | H1 | 179.6° | 179.8° |
| C08 | C29 | O30 | C28 | 178.9° | 179.9° |
| C08 | C29 | O30 | C31 | 178.9° | 175.0° |
| C29 | C08 | C09 | C10 | 1.7° | 0.6° |
| C08 | C29 | C28 | C11 | 0.2° | 0.1° |
| C08 | C29 | C28 | H11 | 179.9° | 180.0° |
| C29 | C08 | C09 | H20 | 178.3° | 180.0° |
| C37 | C32 | C31 | O30 | 44.1° | 95.3° |
| C37 | C32 | C31 | H12 | 163.4° | 24.7° |
| C37 | C32 | C31 | H13 | 75.3° | 144.8° |
| C37 | C32 | C33 | H14 | 179.8° | 179.7° |
| C32 | C37 | C36 | H17 | 179.8° | 179.7° |
| O06 | C05 | C04 | H18 | 98.6° | 60.0° |
| O06 | C05 | C04 | H19 | 21.8° | 60.0° |
| C29 | O30 | C31 | C32 | 178.3° | 175.4° |
| O30 | C29 | C28 | C11 | 179.1° | 180.0° |
| O30 | C29 | C28 | H11 | 1.0° | 0.1° |
| C29 | O30 | C31 | H12 | 58.9° | 64.7° |
| C29 | O30 | C31 | H13 | 62.4° | 55.4° |
| O30 | C31 | C32 | H12 | 119.3° | 120.0° |
| O30 | C31 | C32 | H13 | 119.3° | 120.0° |
| C31 | O30 | C29 | C28 | 0.1° | 5.1° |
| O30 | C31 | H12 | H13 | 122.0° | 120.0° |
| C32 | C31 | H12 | H13 | 122.0° | 120.0° |
| C31 | C32 | C33 | H14 | 0.0° | 0.0° |
| C31 | C32 | C37 | H21 | 0.2° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C09 | C10 | C11 | C28 | 2.2° | 0.4° |
| C09 | C10 | C11 | N12 | 176.2° | 179.7° |
| C29 | C28 | C11 | C10 | 1.9° | 0.1° |
| C29 | C28 | C11 | H11 | 180.0° | 179.9° |
| C29 | C28 | C11 | N12 | 176.3° | 180.0° |
| C15 | C14 | S13 | O23 | 141.7° | 20.7° |
| C15 | C14 | S13 | N12 | 93.1° | 92.8° |
| C15 | C14 | S13 | O22 | 26.6° | 153.6° |
| C14 | C15 | C16 | H3 | 179.4° | 180.0° |
| C15 | C14 | C21 | H8 | 178.0° | 180.0° |
| C14 | S13 | N12 | C11 | 56.4° | 95.7° |
| C14 | S13 | O23 | N12 | 115.6° | 114.1° |
| C14 | S13 | O23 | O22 | 120.2° | 122.9° |
| C14 | S13 | N12 | O22 | 119.2° | 113.5° |
| C14 | S13 | N12 | C24 | 110.7° | 84.3° |
| S13 | C14 | C15 | H2 | 2.0° | 0.0° |
| S13 | C14 | C21 | H8 | 1.6° | 0.2° |
| C10 | C11 | C28 | N12 | 174.4° | 179.9° |
| C10 | C11 | N12 | S13 | 56.9° | 26.7° |
| C10 | C11 | N12 | C24 | 134.5° | 153.3° |
| C10 | C11 | C28 | H11 | 178.1° | 180.0° |
| C11 | C10 | C09 | H20 | 179.6° | 179.9° |
| C28 | C11 | N12 | S13 | 117.3° | 153.2° |
| C28 | C11 | N12 | C24 | 51.2° | 26.9° |
| C28 | C11 | C10 | H1 | 177.8° | 180.0° |
| C11 | N12 | S13 | O23 | 65.3° | 150.8° |
| C11 | N12 | S13 | C24 | 167.1° | 180.0° |
| C11 | N12 | S13 | O22 | 175.5° | 17.8° |
| C11 | N12 | C24 | C25 | 133.7° | 85.0° |
| N12 | C11 | C10 | H1 | 3.8° | 0.1° |
| C11 | N12 | C24 | H9 | 12.6° | 35.0° |
| C11 | N12 | C24 | H10 | 105.1° | 154.9° |
| N12 | C11 | C28 | H11 | 3.7° | 0.1° |
| O23 | S13 | N12 | O22 | 119.2° | 133.0° |
| O23 | S13 | N12 | C24 | 127.6° | 29.2° |
| S13 | N12 | C24 | C25 | 59.0° | 95.0° |
| S13 | N12 | C24 | H9 | 179.8° | 145.0° |
| S13 | N12 | C24 | H10 | 62.1° | 25.0° |
| O22 | S13 | N12 | C24 | 8.4° | 162.2° |
| N12 | C24 | C25 | H9 | 121.2° | 120.0° |
| N12 | C24 | C25 | H10 | 121.1° | 120.1° |
| N12 | C24 | C25 | O27 | 21.3° | 0.0° |
| N12 | C24 | C25 | O26 | 159.4° | 180.0° |
| N12 | C24 | H9 | H10 | 116.3° | 120.0° |
| C24 | C25 | O27 | O26 | 179.3° | 180.0° |
| C25 | C24 | H9 | H10 | 116.3° | 120.0° |
| C24 | C25 | O26 | H30 | 179.3° | 180.0° |
| O27 | C25 | C24 | H9 | 99.9° | 120.0° |
| O27 | C25 | C24 | H10 | 142.4° | 120.0° |
| O27 | C25 | O26 | H30 | 0.0° | 0.0° |
| O26 | C25 | C24 | H9 | 79.5° | 60.0° |
| O26 | C25 | C24 | H10 | 38.3° | 59.9° |
| H1 | C10 | C09 | H20 | 0.4° | 0.3° |
| H2 | C15 | C16 | H3 | 0.6° | 0.1° |
| H4 | C19 | H5 | H6 | 120.0° | 120.0° |
| H7 | C20 | C21 | H8 | 1.2° | 0.2° |
| H14 | C33 | C34 | H15 | 0.2° | 0.0° |
| H15 | C34 | C35 | H16 | 0.0° | 0.1° |
| H16 | C35 | C36 | H17 | 0.2° | 0.0° |
| H17 | C36 | C37 | H21 | 0.2° | 0.3° |
| H22 | C39 | C40 | H23 | 0.5° | 0.0° |
| H24 | C43 | H25 | H26 | 120.0° | 120.0° |
| H27 | C44 | C45 | H28 | 0.4° | 0.3° |
