9TQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.21Å | 1.18Å | |
| O24 | C22 | sing | 1.35Å | 1.20Å | |
| O16 | C15 | sing | 1.43Å | 1.35Å | |
| C22 | C21 | sing | 1.48Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| O13 | C12 | sing | 1.43Å | 1.32Å | |
| C14 | O17 | sing | 1.43Å | 1.37Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O17 | C07 | sing | 1.43Å | 1.35Å | |
| C12 | C10 | sing | 1.53Å | 1.58Å | |
| C31 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| N18 | C19 | sing | 1.40Å | 1.42Å | |
| N18 | C02 | sing | 1.35Å | 1.34Å | |
| C27 | C28 | sing | 1.51Å | 1.47Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.50Å | 1.43Å | |
| C28 | C37 | sing | 1.51Å | 1.34Å | |
| C29 | C35 | doub | 1.39Å | 1.42Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.31Å | |
| C32 | C34 | doub | 1.39Å | 1.37Å | Aromatic |
| C40 | C37 | sing | 1.41Å | 1.45Å | |
| C40 | C41 | doub | 1.36Å | 1.30Å | |
| C37 | C38 | doub | 1.35Å | 1.48Å | |
| N03 | C02 | sing | 1.35Å | 1.35Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C35 | C34 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | O36 | sing | 1.35Å | 1.33Å | |
| C41 | C42 | sing | 1.39Å | 1.42Å | |
| C02 | S01 | doub | 1.71Å | 1.57Å | |
| C38 | O36 | sing | 1.35Å | 1.35Å | |
| C38 | C39 | sing | 1.51Å | 1.33Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | O06 | sing | 1.43Å | 1.29Å | |
| C07 | C08 | sing | 1.53Å | 1.59Å | |
| C42 | C39 | sing | 1.50Å | 1.42Å | |
| C42 | O43 | doub | 1.22Å | 1.21Å | |
| C10 | C08 | sing | 1.53Å | 1.62Å | |
| C10 | O11 | sing | 1.43Å | 1.39Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C05 | O06 | sing | 1.43Å | 1.33Å | |
| C08 | O09 | sing | 1.43Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å | |
| C41 | H21 | sing | 1.08Å | 1.08Å | |
| N03 | H22 | sing | 0.97Å | 1.00Å | |
| N18 | H23 | sing | 0.97Å | 1.00Å | |
| O09 | H24 | sing | 0.97Å | 0.95Å | |
| O11 | H25 | sing | 0.97Å | 0.95Å | |
| O13 | H26 | sing | 0.97Å | 0.95Å | |
| O16 | H27 | sing | 0.97Å | 0.95Å | |
| O24 | H28 | sing | 0.97Å | 0.95Å | |
| O33 | H29 | sing | 0.97Å | 0.95Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | O24 | 124.4° | 120.0° |
| O23 | C22 | C21 | 116.5° | 120.0° |
| O24 | C22 | C21 | 118.9° | 120.0° |
| C22 | O24 | H28 | 109.5° | 117.0° |
| O16 | C15 | C14 | 111.2° | 109.5° |
| O16 | C15 | H2 | 109.0° | 109.5° |
| O16 | C15 | H3 | 109.1° | 109.4° |
| C15 | O16 | H27 | 109.5° | 114.0° |
| C22 | C21 | C20 | 116.3° | 120.1° |
| C22 | C21 | C27 | 122.5° | 120.2° |
| C15 | C14 | O17 | 114.0° | 109.5° |
| C15 | C14 | C12 | 111.8° | 109.5° |
| C14 | C15 | H2 | 109.1° | 109.5° |
| C14 | C15 | H3 | 109.0° | 109.5° |
| C15 | C14 | H13 | 105.6° | 109.5° |
| C20 | C21 | C27 | 121.1° | 119.7° |
| C21 | C20 | C19 | 124.5° | 119.8° |
| C21 | C20 | H4 | 117.7° | 120.1° |
| C21 | C27 | C28 | 125.0° | 120.0° |
| C21 | C27 | C26 | 113.0° | 120.0° |
| C20 | C19 | N18 | 121.4° | 120.0° |
| C20 | C19 | C25 | 113.5° | 120.1° |
| C19 | C20 | H4 | 117.8° | 120.1° |
| O13 | C12 | C14 | 111.6° | 109.5° |
| O13 | C12 | C10 | 109.8° | 109.5° |
| O13 | C12 | H12 | 110.4° | 109.5° |
| C12 | O13 | H26 | 109.5° | 114.0° |
| O17 | C14 | C12 | 111.3° | 109.4° |
| C14 | O17 | C07 | 121.4° | 114.1° |
| O17 | C14 | H13 | 107.9° | 109.4° |
| C14 | C12 | C10 | 110.7° | 109.2° |
| C14 | C12 | H12 | 107.2° | 109.5° |
| C12 | C14 | H13 | 105.7° | 109.5° |
| C31 | C30 | C29 | 125.2° | 120.1° |
| C30 | C31 | C32 | 119.1° | 120.0° |
| C31 | C30 | H15 | 117.4° | 119.9° |
| C30 | C31 | H16 | 120.4° | 120.0° |
| C30 | C29 | C28 | 123.8° | 120.1° |
| C30 | C29 | C35 | 114.7° | 120.2° |
| C29 | C30 | H15 | 117.4° | 120.0° |
| O17 | C07 | O06 | 110.2° | 109.5° |
| O17 | C07 | C08 | 109.1° | 109.4° |
| O17 | C07 | H10 | 110.4° | 109.5° |
| C12 | C10 | C08 | 107.9° | 109.1° |
| C12 | C10 | O11 | 111.0° | 109.6° |
| C12 | C10 | H1 | 107.5° | 109.6° |
| C10 | C12 | H12 | 107.0° | 109.5° |
| C31 | C32 | O33 | 118.5° | 120.0° |
| C31 | C32 | C34 | 119.2° | 120.0° |
| C32 | C31 | H16 | 120.4° | 120.0° |
| C19 | N18 | C02 | 132.0° | 120.0° |
| N18 | C19 | C25 | 124.8° | 120.0° |
| C19 | N18 | H23 | 114.0° | 120.0° |
| N18 | C02 | N03 | 120.8° | 120.0° |
| N18 | C02 | S01 | 120.4° | 120.0° |
| C02 | N18 | H23 | 114.0° | 120.0° |
| C28 | C27 | C26 | 122.0° | 120.0° |
| C27 | C28 | C29 | 118.9° | 109.3° |
| C27 | C28 | C37 | 122.1° | 109.3° |
| C27 | C28 | H30 | 95.7° | 109.2° |
| C27 | C26 | C25 | 126.0° | 120.2° |
| C27 | C26 | H5 | 117.0° | 119.9° |
| C19 | C25 | C26 | 121.7° | 120.2° |
| C19 | C25 | H14 | 119.1° | 119.9° |
| C29 | C28 | C37 | 115.9° | 110.2° |
| C28 | C29 | C35 | 121.6° | 119.8° |
| C29 | C28 | H30 | 95.8° | 109.4° |
| C28 | C37 | C40 | 126.4° | 117.6° |
| C28 | C37 | C38 | 123.2° | 120.9° |
| C37 | C28 | H30 | 96.3° | 109.3° |
| C29 | C35 | C34 | 121.2° | 119.8° |
| C29 | C35 | O36 | 119.1° | 120.3° |
| O33 | C32 | C34 | 122.3° | 120.0° |
| C32 | O33 | H29 | 109.5° | 114.0° |
| C32 | C34 | C35 | 120.6° | 120.0° |
| C32 | C34 | H17 | 119.7° | 120.1° |
| C37 | C40 | C41 | 128.9° | 121.5° |
| C40 | C37 | C38 | 110.4° | 121.4° |
| C37 | C40 | H20 | 115.5° | 119.3° |
| C40 | C41 | C42 | 119.4° | 120.6° |
| C41 | C40 | H20 | 115.5° | 119.2° |
| C40 | C41 | H21 | 120.3° | 119.8° |
| C37 | C38 | O36 | 116.6° | 120.9° |
| C37 | C38 | C39 | 120.6° | 122.0° |
| C02 | N03 | C04 | 123.3° | 120.0° |
| N03 | C02 | S01 | 118.8° | 120.0° |
| C02 | N03 | H22 | 118.3° | 120.0° |
| N03 | C04 | C05 | 114.5° | 109.5° |
| N03 | C04 | H6 | 108.2° | 109.5° |
| N03 | C04 | H7 | 108.2° | 109.5° |
| C04 | N03 | H22 | 118.3° | 120.0° |
| C34 | C35 | O36 | 119.7° | 119.9° |
| C35 | C34 | H17 | 119.7° | 120.0° |
| C35 | O36 | C38 | 123.5° | 120.0° |
| C41 | C42 | C39 | 115.1° | 122.0° |
| C41 | C42 | O43 | 119.0° | 119.0° |
| C42 | C41 | H21 | 120.4° | 119.7° |
| O36 | C38 | C39 | 122.8° | 117.0° |
| C38 | C39 | C42 | 125.6° | 112.4° |
| C38 | C39 | H18 | 105.3° | 108.9° |
| C38 | C39 | H19 | 105.3° | 108.8° |
| C25 | C26 | H5 | 117.0° | 119.9° |
| C26 | C25 | H14 | 119.1° | 119.9° |
| O06 | C07 | C08 | 108.4° | 109.5° |
| C07 | O06 | C05 | 121.6° | 114.0° |
| O06 | C07 | H10 | 111.5° | 109.5° |
| C07 | C08 | C10 | 112.1° | 109.2° |
| C07 | C08 | O09 | 109.5° | 109.5° |
| C08 | C07 | H10 | 107.3° | 109.5° |
| C07 | C08 | H11 | 107.1° | 109.5° |
| C39 | C42 | O43 | 125.8° | 119.0° |
| C42 | C39 | H18 | 105.3° | 108.9° |
| C42 | C39 | H19 | 105.3° | 108.8° |
| C08 | C10 | O11 | 113.1° | 109.5° |
| C10 | C08 | O09 | 109.6° | 109.5° |
| C08 | C10 | H1 | 107.0° | 109.5° |
| C10 | C08 | H11 | 106.8° | 109.5° |
| O11 | C10 | H1 | 110.0° | 109.6° |
| C10 | O11 | H25 | 109.5° | 114.0° |
| C04 | C05 | O06 | 111.5° | 109.5° |
| C05 | C04 | H6 | 108.2° | 109.5° |
| C05 | C04 | H7 | 108.2° | 109.4° |
| C04 | C05 | H8 | 108.9° | 109.5° |
| C04 | C05 | H9 | 109.0° | 109.5° |
| O06 | C05 | H8 | 109.0° | 109.5° |
| O06 | C05 | H9 | 108.9° | 109.5° |
| O09 | C08 | H11 | 111.8° | 109.6° |
| C08 | O09 | H24 | 109.5° | 113.9° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H18 | C39 | H19 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | O24 | C21 | 174.1° | 179.9° |
| O23 | C22 | C21 | C20 | 23.2° | 137.0° |
| O23 | C22 | C21 | C27 | 159.2° | 43.0° |
| O23 | C22 | O24 | H28 | 0.0° | 0.1° |
| O24 | C22 | C21 | C20 | 151.4° | 43.0° |
| O24 | C22 | C21 | C27 | 26.2° | 136.9° |
| O16 | C15 | C14 | H2 | 120.2° | 120.0° |
| O16 | C15 | C14 | H3 | 120.3° | 119.9° |
| O16 | C15 | C14 | O17 | 54.8° | 65.0° |
| O16 | C15 | C14 | C12 | 178.0° | 175.1° |
| O16 | C15 | H2 | H3 | 119.2° | 120.0° |
| O16 | C15 | C14 | H13 | 63.5° | 55.0° |
| C22 | C21 | C20 | C27 | 177.6° | 180.0° |
| C22 | C21 | C20 | C19 | 177.4° | 180.0° |
| C22 | C21 | C27 | C28 | 0.9° | 0.0° |
| C22 | C21 | C27 | C26 | 178.5° | 179.5° |
| C22 | C21 | C20 | H4 | 2.6° | 0.3° |
| C21 | C22 | O24 | H28 | 174.1° | 180.0° |
| C15 | C14 | C12 | O13 | 59.3° | 57.6° |
| C15 | C14 | O17 | C12 | 127.5° | 120.0° |
| C15 | C14 | O17 | H13 | 117.0° | 120.0° |
| C15 | C14 | C12 | H13 | 114.4° | 120.1° |
| C15 | C14 | O17 | C07 | 171.5° | 178.9° |
| C15 | C14 | C12 | C10 | 178.1° | 177.6° |
| C14 | C15 | H2 | H3 | 119.2° | 120.0° |
| C15 | C14 | C12 | H12 | 61.7° | 62.5° |
| C14 | C15 | O16 | H27 | 180.0° | 180.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.6° |
| C21 | C20 | C19 | N18 | 176.7° | 179.7° |
| C20 | C21 | C27 | C28 | 178.4° | 180.0° |
| C20 | C21 | C27 | C26 | 1.0° | 0.5° |
| C21 | C20 | C19 | C25 | 2.1° | 0.3° |
| C27 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C27 | C28 | C26 | 179.4° | 179.5° |
| C21 | C27 | C28 | C29 | 81.4° | 115.3° |
| C21 | C27 | C28 | C37 | 119.5° | 124.0° |
| C21 | C27 | C26 | C25 | 0.5° | 0.8° |
| C27 | C21 | C20 | H4 | 179.7° | 179.7° |
| C21 | C27 | C26 | H5 | 179.6° | 179.7° |
| C21 | C27 | C28 | H30 | 18.4° | 4.4° |
| C20 | C19 | N18 | C25 | 173.9° | 180.0° |
| C20 | C19 | N18 | C02 | 163.0° | 138.2° |
| C20 | C19 | C25 | C26 | 2.7° | 0.0° |
| C20 | C19 | C25 | H14 | 177.3° | 179.4° |
| C20 | C19 | N18 | H23 | 17.0° | 41.8° |
| O13 | C12 | C14 | O17 | 69.4° | 62.3° |
| O13 | C12 | C14 | C10 | 122.6° | 119.9° |
| O13 | C12 | C14 | H12 | 121.0° | 120.1° |
| O13 | C12 | C10 | H12 | 119.8° | 120.1° |
| O13 | C12 | C10 | C08 | 74.5° | 63.0° |
| O13 | C12 | C10 | O11 | 50.0° | 56.9° |
| O13 | C12 | C10 | H1 | 170.4° | 177.1° |
| O13 | C12 | C14 | H13 | 173.8° | 177.7° |
| O17 | C14 | C12 | H13 | 116.9° | 119.9° |
| O17 | C14 | C12 | C10 | 53.2° | 57.6° |
| C14 | O17 | C07 | O06 | 60.9° | 58.9° |
| C14 | O17 | C07 | C08 | 57.9° | 61.1° |
| O17 | C14 | C15 | H2 | 65.4° | 175.0° |
| O17 | C14 | C15 | H3 | 175.1° | 55.0° |
| C14 | O17 | C07 | H10 | 175.5° | 178.9° |
| O17 | C14 | C12 | H12 | 169.6° | 177.5° |
| C12 | C14 | O17 | C07 | 61.0° | 61.1° |
| C14 | C12 | C10 | H12 | 116.5° | 120.0° |
| C14 | C12 | C10 | C08 | 49.1° | 57.0° |
| C14 | C12 | C10 | O11 | 173.6° | 176.8° |
| C14 | C12 | C10 | H1 | 66.0° | 62.9° |
| C12 | C14 | C15 | H2 | 61.8° | 55.1° |
| C12 | C14 | C15 | H3 | 57.7° | 65.0° |
| C14 | C12 | O13 | H26 | 180.0° | 179.7° |
| C31 | C30 | C29 | H15 | 180.0° | 179.9° |
| C30 | C31 | C32 | H16 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 179.9° | 179.8° |
| C31 | C30 | C29 | C35 | 0.8° | 0.1° |
| C30 | C31 | C32 | O33 | 178.8° | 180.0° |
| C30 | C31 | C32 | C34 | 0.7° | 0.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.1° |
| C30 | C29 | C28 | C27 | 20.3° | 80.1° |
| C30 | C29 | C28 | C35 | 179.2° | 179.9° |
| C30 | C29 | C28 | C37 | 179.4° | 159.7° |
| C30 | C29 | C35 | C34 | 1.3° | 0.1° |
| C30 | C29 | C35 | O36 | 178.4° | 179.8° |
| C29 | C30 | C31 | H16 | 179.5° | 180.0° |
| C30 | C29 | C28 | H30 | 79.5° | 39.5° |
| O17 | C07 | O06 | C08 | 119.3° | 120.0° |
| O17 | C07 | O06 | H10 | 122.9° | 120.0° |
| O17 | C07 | C08 | H10 | 119.6° | 120.0° |
| O17 | C07 | C08 | C10 | 49.3° | 57.6° |
| O17 | C07 | O06 | C05 | 83.9° | 70.0° |
| O17 | C07 | C08 | O09 | 171.1° | 177.5° |
| O17 | C07 | C08 | H11 | 67.5° | 62.3° |
| C07 | O17 | C14 | H13 | 54.5° | 58.9° |
| C12 | C10 | C08 | C07 | 48.0° | 56.9° |
| C12 | C10 | C08 | O11 | 123.2° | 119.9° |
| C12 | C10 | C08 | H1 | 115.4° | 119.9° |
| C12 | C10 | O11 | H1 | 118.9° | 120.3° |
| C12 | C10 | C08 | O09 | 169.8° | 176.8° |
| C12 | C10 | C08 | H11 | 69.0° | 62.9° |
| C10 | C12 | C14 | H13 | 63.6° | 62.4° |
| C12 | C10 | O11 | H25 | 180.0° | 179.6° |
| C10 | C12 | O13 | H26 | 56.8° | 60.0° |
| C31 | C32 | O33 | C34 | 179.5° | 179.9° |
| C31 | C32 | C34 | C35 | 1.3° | 0.0° |
| C32 | C31 | C30 | H15 | 179.4° | 180.0° |
| C31 | C32 | C34 | H17 | 178.7° | 180.0° |
| C31 | C32 | O33 | H29 | 180.0° | 90.1° |
| C19 | N18 | C02 | H23 | 180.0° | 180.0° |
| C19 | N18 | C02 | N03 | 174.2° | 174.5° |
| C19 | N18 | C02 | S01 | 3.7° | 5.5° |
| N18 | C19 | C25 | C26 | 177.0° | 180.0° |
| N18 | C19 | C20 | H4 | 3.3° | 0.1° |
| N18 | C19 | C25 | H14 | 3.0° | 0.6° |
| C02 | N18 | C19 | C25 | 11.0° | 41.8° |
| N18 | C02 | N03 | S01 | 177.9° | 180.0° |
| N18 | C02 | N03 | C04 | 178.1° | 180.0° |
| N18 | C02 | N03 | H22 | 1.9° | 0.1° |
| C27 | C28 | C29 | C37 | 160.4° | 120.2° |
| C27 | C28 | C29 | H30 | 99.7° | 119.6° |
| C27 | C28 | C37 | H30 | 100.7° | 119.5° |
| C27 | C28 | C29 | C35 | 160.5° | 100.0° |
| C27 | C28 | C37 | C40 | 20.2° | 80.3° |
| C27 | C28 | C37 | C38 | 160.2° | 99.7° |
| C28 | C27 | C26 | C25 | 179.0° | 179.7° |
| C28 | C27 | C26 | H5 | 1.0° | 0.3° |
| C27 | C26 | C25 | C19 | 1.5° | 0.6° |
| C26 | C27 | C28 | C29 | 99.2° | 65.2° |
| C26 | C27 | C28 | C37 | 59.9° | 55.5° |
| C27 | C26 | C25 | H5 | 180.0° | 179.4° |
| C27 | C26 | C25 | H14 | 178.4° | 179.9° |
| C26 | C27 | C28 | H30 | 160.9° | 175.1° |
| C19 | C25 | C26 | H14 | 180.0° | 179.4° |
| C25 | C19 | C20 | H4 | 177.9° | 180.0° |
| C19 | C25 | C26 | H5 | 178.4° | 180.0° |
| C25 | C19 | N18 | H23 | 169.1° | 138.2° |
| C29 | C28 | C37 | H30 | 99.6° | 120.3° |
| C29 | C28 | C37 | C40 | 179.9° | 159.5° |
| C29 | C28 | C37 | C38 | 0.6° | 20.5° |
| C28 | C29 | C35 | C34 | 179.4° | 179.8° |
| C28 | C29 | C35 | O36 | 0.9° | 0.4° |
| C28 | C29 | C30 | H15 | 0.1° | 0.2° |
| C37 | C28 | C29 | C35 | 0.2° | 20.2° |
| C28 | C37 | C40 | C38 | 179.6° | 180.0° |
| C28 | C37 | C40 | C41 | 179.5° | 179.6° |
| C28 | C37 | C38 | O36 | 0.1° | 0.3° |
| C28 | C37 | C38 | C39 | 179.5° | 179.6° |
| C28 | C37 | C40 | H20 | 0.5° | 0.3° |
| C29 | C35 | C34 | C32 | 1.6° | 0.0° |
| C29 | C35 | C34 | O36 | 179.7° | 179.8° |
| C29 | C35 | O36 | C38 | 1.6° | 24.1° |
| C35 | C29 | C30 | H15 | 179.2° | 180.0° |
| C29 | C35 | C34 | H17 | 178.4° | 179.9° |
| C35 | C29 | C28 | H30 | 99.7° | 140.4° |
| O33 | C32 | C34 | C35 | 178.3° | 179.9° |
| O33 | C32 | C31 | H16 | 1.2° | 0.1° |
| O33 | C32 | C34 | H17 | 1.7° | 0.0° |
| C32 | C34 | C35 | H17 | 180.0° | 180.0° |
| C32 | C34 | C35 | O36 | 178.1° | 179.8° |
| C34 | C32 | C31 | H16 | 179.3° | 180.0° |
| C34 | C32 | O33 | H29 | 0.5° | 90.0° |
| C37 | C40 | C41 | H20 | 180.0° | 179.9° |
| C37 | C40 | C41 | C42 | 0.2° | 0.1° |
| C40 | C37 | C38 | O36 | 179.5° | 179.7° |
| C40 | C37 | C38 | C39 | 0.9° | 0.4° |
| C37 | C40 | C41 | H21 | 179.8° | 179.9° |
| C40 | C37 | C28 | H30 | 80.5° | 39.3° |
| C41 | C40 | C37 | C38 | 0.9° | 0.4° |
| C40 | C41 | C42 | H21 | 180.0° | 180.0° |
| C40 | C41 | C42 | C39 | 0.5° | 0.1° |
| C40 | C41 | C42 | O43 | 178.5° | 180.0° |
| C37 | C38 | O36 | C35 | 1.2° | 24.2° |
| C37 | C38 | O36 | C39 | 179.6° | 179.9° |
| C37 | C38 | C39 | C42 | 0.3° | 0.1° |
| C37 | C38 | C39 | H18 | 122.4° | 120.6° |
| C37 | C38 | C39 | H19 | 121.9° | 120.8° |
| C38 | C37 | C40 | H20 | 179.1° | 179.7° |
| C38 | C37 | C28 | H30 | 99.1° | 140.8° |
| C02 | N03 | C04 | H22 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 112.3° | 179.9° |
| C02 | N03 | C04 | H6 | 8.4° | 60.1° |
| C02 | N03 | C04 | H7 | 126.9° | 60.0° |
| N03 | C02 | N18 | H23 | 5.7° | 5.5° |
| C04 | N03 | C02 | S01 | 4.0° | 0.0° |
| N03 | C04 | C05 | H6 | 120.7° | 120.0° |
| N03 | C04 | C05 | H7 | 120.8° | 120.0° |
| N03 | C04 | C05 | O06 | 52.5° | 65.0° |
| N03 | C04 | H6 | H7 | 117.7° | 120.1° |
| N03 | C04 | C05 | H8 | 172.8° | 175.0° |
| N03 | C04 | C05 | H9 | 67.8° | 55.0° |
| C34 | C35 | O36 | C38 | 178.7° | 156.1° |
| C35 | O36 | C38 | C39 | 178.3° | 155.8° |
| O36 | C35 | C34 | H17 | 1.9° | 0.2° |
| C41 | C42 | C39 | C38 | 0.5° | 0.1° |
| C41 | C42 | C39 | O43 | 177.9° | 179.9° |
| C41 | C42 | C39 | H18 | 121.7° | 120.9° |
| C41 | C42 | C39 | H19 | 122.6° | 120.5° |
| C42 | C41 | C40 | H20 | 179.8° | 179.9° |
| S01 | C02 | N03 | H22 | 176.0° | 179.9° |
| S01 | C02 | N18 | H23 | 176.3° | 174.5° |
| O36 | C38 | C39 | C42 | 179.8° | 179.9° |
| O36 | C38 | C39 | H18 | 58.0° | 59.3° |
| O36 | C38 | C39 | H19 | 57.7° | 59.3° |
| C38 | C39 | C42 | H18 | 122.2° | 120.8° |
| C38 | C39 | C42 | H19 | 122.1° | 120.7° |
| C38 | C39 | C42 | O43 | 178.4° | 180.0° |
| C38 | C39 | H18 | H19 | 112.7° | 118.5° |
| O06 | C07 | C08 | H10 | 120.4° | 120.0° |
| O06 | C07 | C08 | C10 | 70.7° | 62.4° |
| C07 | O06 | C05 | C04 | 153.5° | 180.0° |
| O06 | C07 | C08 | O09 | 51.2° | 57.5° |
| C07 | O06 | C05 | H8 | 86.2° | 60.0° |
| C07 | O06 | C05 | H9 | 33.2° | 60.0° |
| O06 | C07 | C08 | H11 | 172.5° | 177.7° |
| C07 | C08 | C10 | O09 | 121.8° | 119.9° |
| C07 | C08 | C10 | H11 | 117.0° | 119.8° |
| C07 | C08 | C10 | O11 | 171.3° | 176.8° |
| C08 | C07 | O06 | C05 | 156.8° | 170.0° |
| C07 | C08 | O09 | H11 | 118.5° | 120.1° |
| C07 | C08 | C10 | H1 | 67.4° | 63.0° |
| C07 | C08 | O09 | H24 | 180.0° | 60.3° |
| C42 | C39 | H18 | H19 | 112.8° | 118.5° |
| C39 | C42 | C41 | H21 | 179.5° | 179.9° |
| O43 | C42 | C39 | H18 | 56.2° | 59.2° |
| O43 | C42 | C39 | H19 | 59.5° | 59.4° |
| O43 | C42 | C41 | H21 | 1.4° | 0.0° |
| C08 | C10 | O11 | H1 | 119.7° | 120.1° |
| C10 | C08 | O09 | H11 | 118.2° | 120.2° |
| C10 | C08 | C07 | H10 | 168.9° | 177.6° |
| C08 | C10 | C12 | H12 | 165.7° | 176.9° |
| C10 | C08 | O09 | H24 | 56.7° | 180.0° |
| C08 | C10 | O11 | H25 | 58.5° | 60.0° |
| O11 | C10 | C08 | O09 | 67.0° | 63.3° |
| O11 | C10 | C08 | H11 | 54.3° | 57.0° |
| O11 | C10 | C12 | H12 | 69.8° | 63.2° |
| C04 | C05 | O06 | H8 | 120.3° | 120.0° |
| C04 | C05 | O06 | H9 | 120.3° | 120.0° |
| C05 | C04 | H6 | H7 | 117.7° | 120.0° |
| C04 | C05 | H8 | H9 | 119.1° | 120.0° |
| C05 | C04 | N03 | H22 | 67.7° | 0.1° |
| O06 | C05 | C04 | H6 | 68.2° | 175.0° |
| O06 | C05 | C04 | H7 | 173.2° | 55.0° |
| O06 | C05 | H8 | H9 | 119.0° | 120.0° |
| C05 | O06 | C07 | H10 | 39.0° | 50.0° |
| O09 | C08 | C10 | H1 | 54.4° | 56.9° |
| O09 | C08 | C07 | H10 | 69.3° | 62.5° |
| H1 | C10 | C08 | H11 | 175.6° | 177.1° |
| H1 | C10 | C12 | H12 | 50.5° | 57.0° |
| H1 | C10 | O11 | H25 | 61.1° | 60.1° |
| H2 | C15 | C14 | H13 | 176.3° | 65.0° |
| H2 | C15 | O16 | H27 | 59.8° | 60.0° |
| H3 | C15 | C14 | H13 | 56.8° | 174.9° |
| H3 | C15 | O16 | H27 | 59.7° | 60.1° |
| H5 | C26 | C25 | H14 | 1.6° | 0.6° |
| H6 | C04 | C05 | H8 | 52.1° | 55.0° |
| H6 | C04 | C05 | H9 | 171.5° | 65.0° |
| H6 | C04 | N03 | H22 | 171.6° | 120.1° |
| H7 | C04 | C05 | H8 | 66.4° | 65.0° |
| H7 | C04 | C05 | H9 | 52.9° | 175.0° |
| H7 | C04 | N03 | H22 | 53.1° | 119.9° |
| H10 | C07 | C08 | H11 | 52.1° | 57.7° |
| H11 | C08 | O09 | H24 | 61.5° | 59.8° |
| H12 | C12 | C14 | H13 | 52.7° | 57.6° |
| H12 | C12 | O13 | H26 | 60.9° | 60.1° |
| H15 | C30 | C31 | H16 | 0.5° | 0.1° |
| H20 | C40 | C41 | H21 | 0.2° | 0.1° |
