C9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.22Å | 1.22Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| O29 | C27 | sing | 1.35Å | 1.39Å | |
| C30 | C31 | sing | 1.53Å | 1.60Å | |
| C27 | C06 | sing | 1.41Å | 1.60Å | |
| C20 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| C31 | N32 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.51Å | 1.66Å | |
| C33 | N32 | sing | 1.46Å | 1.58Å | |
| C34 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| O26 | N24 | sing | 1.22Å | 1.21Å | |
| N32 | C40 | sing | 1.40Å | 1.60Å | |
| C22 | N24 | sing | 1.48Å | 1.56Å | |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C04 | doub | 1.35Å | 1.41Å | |
| C06 | C07 | sing | 1.50Å | 1.55Å | |
| C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.44Å | Aromatic |
| C45 | C40 | sing | 1.39Å | 1.48Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.46Å | Aromatic |
| C18 | C07 | sing | 1.51Å | 1.52Å | |
| N24 | O25 | doub | 1.22Å | 1.22Å | |
| C44 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | N03 | sing | 1.37Å | 1.56Å | |
| C39 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.50Å | 1.66Å | |
| C41 | C42 | sing | 1.38Å | 1.44Å | Aromatic |
| N03 | C02 | sing | 1.39Å | 1.33Å | |
| C08 | C02 | doub | 1.31Å | 1.57Å | |
| C08 | P09 | sing | 1.81Å | 1.85Å | |
| C02 | C01 | sing | 1.51Å | 1.59Å | |
| O11 | P09 | sing | 1.63Å | 1.68Å | |
| O11 | C12 | sing | 1.44Å | 1.39Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| P09 | O17 | sing | 1.63Å | 1.64Å | |
| P09 | O10 | doub | 1.48Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| O17 | C16 | sing | 1.44Å | 1.43Å | |
| C13 | C16 | sing | 1.53Å | 1.57Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C36 | H3 | sing | 1.08Å | 1.08Å | |
| C35 | H4 | sing | 1.08Å | 1.08Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| N03 | H24 | sing | 0.97Å | 1.00Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| C45 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | O29 | 114.1° | 120.0° |
| O28 | C27 | C06 | 122.7° | 120.0° |
| C30 | O29 | C27 | 123.0° | 117.0° |
| O29 | C30 | C31 | 112.0° | 109.5° |
| O29 | C30 | H9 | 108.8° | 109.4° |
| O29 | C30 | H10 | 108.9° | 109.5° |
| O29 | C27 | C06 | 123.2° | 120.0° |
| C30 | C31 | N32 | 116.7° | 109.5° |
| C30 | C31 | H7 | 107.6° | 109.5° |
| C30 | C31 | H8 | 107.6° | 109.5° |
| C31 | C30 | H9 | 108.8° | 109.4° |
| C31 | C30 | H10 | 108.8° | 109.5° |
| C27 | C06 | C04 | 134.6° | 119.3° |
| C27 | C06 | C07 | 109.3° | 119.3° |
| C21 | C20 | C19 | 122.6° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C20 | C21 | H12 | 120.1° | 120.0° |
| C21 | C20 | H13 | 118.7° | 120.1° |
| C20 | C19 | C18 | 116.1° | 120.0° |
| C19 | C20 | H13 | 118.7° | 119.9° |
| C20 | C19 | H14 | 121.9° | 120.0° |
| C21 | C22 | N24 | 123.5° | 120.0° |
| C21 | C22 | C23 | 118.4° | 120.0° |
| C22 | C21 | H12 | 120.1° | 120.0° |
| C36 | C35 | C34 | 124.6° | 120.0° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C35 | C36 | H3 | 120.3° | 120.0° |
| C36 | C35 | H4 | 117.7° | 120.0° |
| C35 | C34 | C33 | 119.5° | 120.0° |
| C35 | C34 | C39 | 113.8° | 120.0° |
| C34 | C35 | H4 | 117.7° | 120.0° |
| C36 | C37 | C38 | 118.0° | 120.0° |
| C37 | C36 | H3 | 120.3° | 120.0° |
| C36 | C37 | H33 | 121.0° | 120.0° |
| C19 | C18 | C23 | 121.7° | 120.0° |
| C19 | C18 | C07 | 124.4° | 120.0° |
| C18 | C19 | H14 | 122.0° | 120.0° |
| C05 | C04 | C06 | 122.1° | 119.8° |
| C05 | C04 | N03 | 116.7° | 119.8° |
| C04 | C05 | H25 | 109.5° | 109.5° |
| C04 | C05 | H26 | 109.4° | 109.5° |
| C04 | C05 | H27 | 109.5° | 109.5° |
| C31 | N32 | C33 | 118.6° | 120.0° |
| C31 | N32 | C40 | 118.1° | 120.0° |
| N32 | C31 | H7 | 107.6° | 109.5° |
| N32 | C31 | H8 | 107.7° | 109.4° |
| C34 | C33 | N32 | 124.7° | 109.5° |
| C33 | C34 | C39 | 126.7° | 120.0° |
| C34 | C33 | H5 | 105.6° | 109.5° |
| C34 | C33 | H6 | 105.5° | 109.5° |
| C33 | N32 | C40 | 123.1° | 120.0° |
| N32 | C33 | H5 | 105.5° | 109.5° |
| N32 | C33 | H6 | 105.5° | 109.5° |
| C34 | C39 | C38 | 122.6° | 120.0° |
| C34 | C39 | H35 | 118.7° | 120.0° |
| O26 | N24 | C22 | 123.7° | 120.0° |
| O26 | N24 | O25 | 119.2° | 120.0° |
| N32 | C40 | C45 | 123.1° | 120.0° |
| N32 | C40 | C41 | 124.0° | 120.1° |
| N24 | C22 | C23 | 118.1° | 120.0° |
| C22 | N24 | O25 | 117.1° | 120.0° |
| C22 | C23 | C18 | 121.4° | 120.0° |
| C22 | C23 | H11 | 119.3° | 120.0° |
| C04 | C06 | C07 | 116.1° | 121.4° |
| C06 | C04 | N03 | 121.2° | 120.4° |
| C06 | C07 | C18 | 108.2° | 109.2° |
| C06 | C07 | C08 | 117.2° | 110.9° |
| C06 | C07 | H28 | 110.1° | 109.2° |
| C37 | C38 | C39 | 121.6° | 120.0° |
| C38 | C37 | H33 | 121.0° | 120.1° |
| C37 | C38 | H34 | 119.2° | 120.0° |
| C44 | C45 | C40 | 123.9° | 119.9° |
| C45 | C44 | C43 | 120.5° | 120.0° |
| C45 | C44 | H39 | 119.7° | 120.0° |
| C44 | C45 | H40 | 118.1° | 120.0° |
| C45 | C40 | C41 | 112.9° | 119.9° |
| C40 | C45 | H40 | 118.1° | 120.1° |
| C23 | C18 | C07 | 113.9° | 120.0° |
| C18 | C23 | H11 | 119.3° | 120.0° |
| C18 | C07 | C08 | 101.7° | 109.0° |
| C18 | C07 | H28 | 110.5° | 109.2° |
| C44 | C43 | C42 | 117.8° | 120.2° |
| C44 | C43 | H38 | 121.1° | 119.9° |
| C43 | C44 | H39 | 119.8° | 120.0° |
| C40 | C41 | C42 | 122.4° | 119.9° |
| C40 | C41 | H36 | 118.8° | 120.0° |
| C04 | N03 | C02 | 120.7° | 120.1° |
| C04 | N03 | H24 | 119.6° | 119.9° |
| C39 | C38 | H34 | 119.2° | 120.0° |
| C38 | C39 | H35 | 118.7° | 120.0° |
| C43 | C42 | C41 | 122.6° | 120.1° |
| C43 | C42 | H37 | 118.7° | 120.0° |
| C42 | C43 | H38 | 121.1° | 119.9° |
| C07 | C08 | C02 | 115.3° | 121.8° |
| C07 | C08 | P09 | 118.6° | 119.1° |
| C08 | C07 | H28 | 108.7° | 109.3° |
| C42 | C41 | H36 | 118.8° | 120.0° |
| C41 | C42 | H37 | 118.7° | 120.0° |
| N03 | C02 | C08 | 115.5° | 121.0° |
| N03 | C02 | C01 | 131.6° | 119.5° |
| C02 | N03 | H24 | 119.6° | 120.0° |
| C02 | C08 | P09 | 119.3° | 119.1° |
| C08 | C02 | C01 | 111.7° | 119.5° |
| C08 | P09 | O11 | 110.3° | 110.2° |
| C08 | P09 | O17 | 112.3° | 110.2° |
| C08 | P09 | O10 | 108.0° | 110.2° |
| C02 | C01 | H20 | 109.5° | 109.4° |
| C02 | C01 | H21 | 109.5° | 109.5° |
| C02 | C01 | H22 | 109.5° | 109.5° |
| P09 | O11 | C12 | 121.4° | 119.0° |
| O11 | P09 | O17 | 98.4° | 105.7° |
| O11 | P09 | O10 | 115.7° | 110.3° |
| O11 | C12 | C13 | 109.9° | 109.0° |
| O11 | C12 | H1 | 109.4° | 109.5° |
| O11 | C12 | H2 | 109.4° | 109.6° |
| C14 | C13 | C12 | 111.1° | 109.2° |
| C14 | C13 | C16 | 109.7° | 109.2° |
| C14 | C13 | C15 | 109.2° | 109.2° |
| C13 | C14 | H30 | 109.5° | 109.5° |
| C13 | C14 | H31 | 109.5° | 109.4° |
| C13 | C14 | H32 | 109.4° | 109.4° |
| O17 | P09 | O10 | 112.0° | 110.2° |
| P09 | O17 | C16 | 121.6° | 119.0° |
| C12 | C13 | C16 | 110.0° | 110.8° |
| C12 | C13 | C15 | 108.3° | 109.2° |
| C13 | C12 | H1 | 109.4° | 109.5° |
| C13 | C12 | H2 | 109.3° | 109.6° |
| O17 | C16 | C13 | 112.0° | 109.1° |
| O17 | C16 | H15 | 108.8° | 109.5° |
| O17 | C16 | H16 | 108.8° | 109.6° |
| C16 | C13 | C15 | 108.5° | 109.3° |
| C13 | C16 | H15 | 108.8° | 109.5° |
| C13 | C16 | H16 | 108.8° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.6° |
| H5 | C33 | H6 | 109.5° | 109.5° |
| H7 | C31 | H8 | 109.5° | 109.5° |
| H9 | C30 | H10 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.4° | 109.4° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.5° |
| H20 | C01 | H21 | 109.5° | 109.5° |
| H20 | C01 | H22 | 109.5° | 109.5° |
| H21 | C01 | H22 | 109.5° | 109.5° |
| H25 | C05 | H26 | 109.5° | 109.5° |
| H25 | C05 | H27 | 109.5° | 109.5° |
| H26 | C05 | H27 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.4° | 109.5° |
| H30 | C14 | H32 | 109.5° | 109.5° |
| H31 | C14 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | O29 | C30 | 62.1° | 1.1° |
| O28 | C27 | O29 | C06 | 179.8° | 179.9° |
| O28 | C27 | C06 | C04 | 27.0° | 5.8° |
| O28 | C27 | C06 | C07 | 154.2° | 174.1° |
| O29 | C30 | C31 | H9 | 120.4° | 119.9° |
| O29 | C30 | C31 | H10 | 120.4° | 120.0° |
| C30 | O29 | C27 | C06 | 118.1° | 178.8° |
| O29 | C30 | C31 | N32 | 166.9° | 64.2° |
| O29 | C30 | C31 | H7 | 72.1° | 175.8° |
| O29 | C30 | C31 | H8 | 45.8° | 55.7° |
| O29 | C30 | H9 | H10 | 118.9° | 120.0° |
| C27 | O29 | C30 | C31 | 84.0° | 87.1° |
| O29 | C27 | C06 | C04 | 152.8° | 174.1° |
| O29 | C27 | C06 | C07 | 26.0° | 6.0° |
| C27 | O29 | C30 | H9 | 36.3° | 152.9° |
| C27 | O29 | C30 | H10 | 155.6° | 32.9° |
| C30 | C31 | N32 | H7 | 121.0° | 120.0° |
| C30 | C31 | N32 | H8 | 121.0° | 120.0° |
| C30 | C31 | N32 | C33 | 102.3° | 84.2° |
| C30 | C31 | N32 | C40 | 72.1° | 95.8° |
| C30 | C31 | H7 | H8 | 116.7° | 120.0° |
| C31 | C30 | H9 | H10 | 118.8° | 120.0° |
| C27 | C06 | C04 | C05 | 1.7° | 0.5° |
| C27 | C06 | C04 | C07 | 178.8° | 179.9° |
| C27 | C06 | C07 | C18 | 85.3° | 75.8° |
| C27 | C06 | C04 | N03 | 179.5° | 179.5° |
| C27 | C06 | C07 | C08 | 160.5° | 164.0° |
| C27 | C06 | C07 | H28 | 35.5° | 43.5° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.2° | 0.2° |
| C20 | C21 | C22 | N24 | 178.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C21 | C20 | C19 | H14 | 178.7° | 180.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.0° |
| C20 | C19 | C18 | H14 | 180.0° | 179.8° |
| C20 | C19 | C18 | C23 | 1.2° | 0.5° |
| C20 | C19 | C18 | C07 | 177.5° | 179.9° |
| C19 | C20 | C21 | H12 | 179.0° | 179.9° |
| C21 | C22 | N24 | O26 | 3.9° | 180.0° |
| C21 | C22 | N24 | C23 | 178.1° | 180.0° |
| C21 | C22 | C23 | C18 | 0.6° | 0.3° |
| C21 | C22 | N24 | O25 | 174.5° | 0.0° |
| C21 | C22 | C23 | H11 | 179.4° | 180.0° |
| C22 | C21 | C20 | H13 | 179.1° | 179.9° |
| C36 | C35 | C34 | H4 | 180.0° | 180.0° |
| C35 | C36 | C37 | H3 | 180.0° | 179.7° |
| C36 | C35 | C34 | C33 | 178.4° | 180.0° |
| C36 | C35 | C34 | C39 | 0.7° | 0.0° |
| C35 | C36 | C37 | C38 | 0.5° | 0.3° |
| C35 | C36 | C37 | H33 | 179.5° | 179.8° |
| C34 | C35 | C36 | C37 | 0.2° | 0.0° |
| C35 | C34 | C33 | C39 | 177.4° | 179.9° |
| C35 | C34 | C33 | N32 | 164.9° | 90.0° |
| C35 | C34 | C39 | C38 | 0.5° | 0.3° |
| C34 | C35 | C36 | H3 | 179.8° | 179.8° |
| C35 | C34 | C33 | H5 | 42.9° | 150.0° |
| C35 | C34 | C33 | H6 | 73.0° | 30.1° |
| C35 | C34 | C39 | H35 | 179.5° | 180.0° |
| C36 | C37 | C38 | H33 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.6° | 0.5° |
| C37 | C36 | C35 | H4 | 179.9° | 180.0° |
| C36 | C37 | C38 | H34 | 179.4° | 180.0° |
| C19 | C18 | C23 | C22 | 1.0° | 0.6° |
| C19 | C18 | C07 | C06 | 104.6° | 64.3° |
| C19 | C18 | C23 | C07 | 178.9° | 179.4° |
| C19 | C18 | C07 | C08 | 131.3° | 57.0° |
| C19 | C18 | C23 | H11 | 179.0° | 179.7° |
| C18 | C19 | C20 | H13 | 178.8° | 179.8° |
| C19 | C18 | C07 | H28 | 16.0° | 176.3° |
| C05 | C04 | C06 | N03 | 178.9° | 180.0° |
| C05 | C04 | C06 | C07 | 179.6° | 179.6° |
| C05 | C04 | N03 | C02 | 144.7° | 162.5° |
| C05 | C04 | N03 | H24 | 35.3° | 17.6° |
| C04 | C05 | H25 | H26 | 120.0° | 120.0° |
| C04 | C05 | H25 | H27 | 120.0° | 120.0° |
| C04 | C05 | H26 | H27 | 120.0° | 120.0° |
| C31 | N32 | C33 | C34 | 26.0° | 90.0° |
| C31 | N32 | C33 | C40 | 174.2° | 180.0° |
| C31 | N32 | C40 | C45 | 17.2° | 178.3° |
| C31 | N32 | C40 | C41 | 165.8° | 1.5° |
| C31 | N32 | C33 | H5 | 96.0° | 30.0° |
| C31 | N32 | C33 | H6 | 148.1° | 150.0° |
| N32 | C31 | H7 | H8 | 116.7° | 120.0° |
| N32 | C31 | C30 | H9 | 46.5° | 175.8° |
| N32 | C31 | C30 | H10 | 72.7° | 55.8° |
| C34 | C33 | N32 | H5 | 122.1° | 120.0° |
| C34 | C33 | N32 | H6 | 122.1° | 120.0° |
| C34 | C33 | N32 | C40 | 159.8° | 90.0° |
| C33 | C34 | C39 | C38 | 178.1° | 179.8° |
| C33 | C34 | C35 | H4 | 1.6° | 0.0° |
| C34 | C33 | H5 | H6 | 113.2° | 120.0° |
| C33 | C34 | C39 | H35 | 1.9° | 0.0° |
| N32 | C33 | C34 | C39 | 17.7° | 90.0° |
| C33 | N32 | C40 | C45 | 157.0° | 1.7° |
| C33 | N32 | C40 | C41 | 20.0° | 178.5° |
| N32 | C33 | H5 | H6 | 113.2° | 120.0° |
| C33 | N32 | C31 | H7 | 18.7° | 35.8° |
| C33 | N32 | C31 | H8 | 136.7° | 155.8° |
| C34 | C39 | C38 | C37 | 0.1° | 0.5° |
| C34 | C39 | C38 | H35 | 180.0° | 179.7° |
| C39 | C34 | C35 | H4 | 179.4° | 180.0° |
| C39 | C34 | C33 | H5 | 139.7° | 30.1° |
| C39 | C34 | C33 | H6 | 104.4° | 150.0° |
| C34 | C39 | C38 | H34 | 179.9° | 180.0° |
| O26 | N24 | C22 | O25 | 178.4° | 180.0° |
| O26 | N24 | C22 | C23 | 177.9° | 0.1° |
| N32 | C40 | C45 | C44 | 177.5° | 179.8° |
| N32 | C40 | C45 | C41 | 177.3° | 179.8° |
| N32 | C40 | C41 | C42 | 176.2° | 180.0° |
| C40 | N32 | C33 | H5 | 78.1° | 150.0° |
| C40 | N32 | C33 | H6 | 37.7° | 30.0° |
| C40 | N32 | C31 | H7 | 166.8° | 144.2° |
| C40 | N32 | C31 | H8 | 48.9° | 24.2° |
| N32 | C40 | C41 | H36 | 3.8° | 0.0° |
| N32 | C40 | C45 | H40 | 2.5° | 0.2° |
| N24 | C22 | C23 | C18 | 178.8° | 179.7° |
| N24 | C22 | C23 | H11 | 1.2° | 0.1° |
| N24 | C22 | C21 | H12 | 1.3° | 0.0° |
| C22 | C23 | C18 | H11 | 180.0° | 179.7° |
| C22 | C23 | C18 | C07 | 177.9° | 180.0° |
| C23 | C22 | N24 | O25 | 3.6° | 180.0° |
| C23 | C22 | C21 | H12 | 179.4° | 180.0° |
| C04 | C06 | C07 | C18 | 93.8° | 104.2° |
| C04 | C06 | C07 | C08 | 20.4° | 16.0° |
| C06 | C04 | N03 | C02 | 34.2° | 17.5° |
| C06 | C04 | N03 | H24 | 145.7° | 162.4° |
| C06 | C04 | C05 | H25 | 180.0° | 179.9° |
| C06 | C04 | C05 | H26 | 60.0° | 60.0° |
| C06 | C04 | C05 | H27 | 60.0° | 60.0° |
| C04 | C06 | C07 | H28 | 145.4° | 136.4° |
| C06 | C07 | C18 | C23 | 76.5° | 116.3° |
| C06 | C07 | C18 | C08 | 124.1° | 121.3° |
| C06 | C07 | C18 | H28 | 120.6° | 119.4° |
| C07 | C06 | C04 | N03 | 0.7° | 0.4° |
| C06 | C07 | C08 | H28 | 125.7° | 120.4° |
| C06 | C07 | C08 | C02 | 11.8° | 15.7° |
| C06 | C07 | C08 | P09 | 139.1° | 164.0° |
| C37 | C38 | C39 | H34 | 180.0° | 179.5° |
| C38 | C37 | C36 | H3 | 179.5° | 180.0° |
| C37 | C38 | C39 | H35 | 179.9° | 179.7° |
| C44 | C45 | C40 | H40 | 180.0° | 179.5° |
| C45 | C44 | C43 | H39 | 180.0° | 179.8° |
| C44 | C45 | C40 | C41 | 0.2° | 0.5° |
| C45 | C44 | C43 | C42 | 1.0° | 0.3° |
| C45 | C44 | C43 | H38 | 179.1° | 179.8° |
| C40 | C45 | C44 | C43 | 1.2° | 0.5° |
| C45 | C40 | C41 | C42 | 1.0° | 0.2° |
| C45 | C40 | C41 | H36 | 179.0° | 179.7° |
| C40 | C45 | C44 | H39 | 178.7° | 179.7° |
| C23 | C18 | C07 | C08 | 47.5° | 122.4° |
| C23 | C18 | C19 | H14 | 178.7° | 179.7° |
| C23 | C18 | C07 | H28 | 162.8° | 3.1° |
| C18 | C07 | C08 | H28 | 116.6° | 119.3° |
| C18 | C07 | C08 | C02 | 105.9° | 104.6° |
| C18 | C07 | C08 | P09 | 103.1° | 75.7° |
| C07 | C18 | C23 | H11 | 2.1° | 0.3° |
| C07 | C18 | C19 | H14 | 2.5° | 0.3° |
| C44 | C43 | C42 | H38 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.3° | 0.0° |
| C44 | C43 | C42 | H37 | 179.7° | 180.0° |
| C43 | C44 | C45 | H40 | 178.8° | 180.0° |
| C40 | C41 | C42 | C43 | 1.3° | 0.0° |
| C40 | C41 | C42 | H36 | 180.0° | 179.9° |
| C40 | C41 | C42 | H37 | 178.7° | 180.0° |
| C41 | C40 | C45 | H40 | 179.8° | 180.0° |
| C04 | N03 | C02 | H24 | 180.0° | 179.9° |
| C04 | N03 | C02 | C08 | 42.4° | 17.9° |
| C04 | N03 | C02 | C01 | 151.6° | 162.2° |
| N03 | C04 | C05 | H25 | 1.1° | 0.1° |
| N03 | C04 | C05 | H26 | 121.1° | 120.0° |
| N03 | C04 | C05 | H27 | 118.9° | 120.0° |
| C39 | C38 | C37 | H33 | 179.4° | 179.5° |
| C43 | C42 | C41 | H37 | 180.0° | 180.0° |
| C43 | C42 | C41 | H36 | 178.7° | 180.0° |
| C42 | C43 | C44 | H39 | 179.0° | 180.0° |
| C07 | C08 | C02 | N03 | 19.4° | 0.1° |
| C07 | C08 | C02 | P09 | 150.7° | 179.7° |
| C07 | C08 | C02 | C01 | 171.8° | 179.9° |
| C07 | C08 | P09 | O11 | 22.4° | 63.7° |
| C07 | C08 | P09 | O17 | 86.2° | 180.0° |
| C07 | C08 | P09 | O10 | 149.7° | 58.2° |
| C41 | C42 | C43 | H38 | 179.7° | 179.9° |
| N03 | C02 | C08 | C01 | 168.8° | 179.8° |
| N03 | C02 | C08 | P09 | 170.2° | 179.8° |
| N03 | C02 | C01 | H20 | 180.0° | 0.1° |
| N03 | C02 | C01 | H21 | 60.0° | 119.9° |
| N03 | C02 | C01 | H22 | 60.0° | 120.1° |
| C02 | C08 | P09 | O11 | 172.1° | 116.0° |
| C02 | C08 | P09 | O17 | 63.6° | 0.3° |
| C02 | C08 | P09 | O10 | 60.5° | 122.1° |
| C08 | C02 | C01 | H20 | 13.6° | 179.7° |
| C08 | C02 | C01 | H21 | 106.4° | 60.2° |
| C08 | C02 | C01 | H22 | 133.6° | 59.8° |
| C08 | C02 | N03 | H24 | 137.6° | 162.0° |
| C02 | C08 | C07 | H28 | 137.5° | 136.1° |
| P09 | C08 | C02 | C01 | 21.1° | 0.3° |
| C08 | P09 | O11 | O17 | 117.6° | 119.0° |
| C08 | P09 | O11 | O10 | 123.0° | 121.8° |
| C08 | P09 | O11 | C12 | 168.0° | 157.7° |
| C08 | P09 | O17 | O10 | 121.8° | 121.8° |
| C08 | P09 | O17 | C16 | 163.0° | 157.8° |
| P09 | C08 | C07 | H28 | 13.5° | 43.6° |
| C02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C02 | C01 | H20 | H22 | 120.0° | 120.0° |
| C02 | C01 | H21 | H22 | 120.0° | 120.0° |
| C01 | C02 | N03 | H24 | 28.4° | 17.8° |
| O11 | P09 | O17 | O10 | 122.2° | 119.2° |
| P09 | O11 | C12 | C13 | 58.8° | 52.6° |
| O11 | P09 | O17 | C16 | 47.0° | 38.8° |
| P09 | O11 | C12 | H1 | 178.9° | 67.2° |
| P09 | O11 | C12 | H2 | 61.2° | 172.6° |
| O11 | C12 | C13 | C14 | 67.5° | 57.2° |
| C12 | O11 | P09 | O17 | 50.4° | 38.7° |
| C12 | O11 | P09 | O10 | 69.0° | 80.4° |
| O11 | C12 | C13 | H1 | 120.1° | 119.8° |
| O11 | C12 | C13 | H2 | 120.1° | 120.0° |
| O11 | C12 | C13 | C16 | 54.1° | 63.1° |
| O11 | C12 | C13 | C15 | 172.6° | 176.5° |
| O11 | C12 | H1 | H2 | 119.8° | 120.3° |
| C14 | C13 | C12 | C16 | 121.6° | 120.3° |
| C14 | C13 | C12 | C15 | 120.0° | 119.3° |
| C14 | C13 | C16 | O17 | 70.3° | 57.1° |
| C14 | C13 | C16 | C15 | 119.2° | 119.4° |
| C14 | C13 | C12 | H1 | 52.6° | 177.0° |
| C14 | C13 | C12 | H2 | 172.5° | 62.8° |
| C14 | C13 | C16 | H15 | 169.3° | 62.7° |
| C14 | C13 | C16 | H16 | 50.1° | 177.1° |
| C14 | C13 | C15 | H17 | 180.0° | 179.4° |
| C14 | C13 | C15 | H18 | 60.0° | 60.7° |
| C14 | C13 | C15 | H19 | 60.0° | 59.3° |
| C13 | C14 | H30 | H31 | 120.0° | 119.9° |
| C13 | C14 | H30 | H32 | 120.0° | 120.0° |
| C13 | C14 | H31 | H32 | 120.0° | 120.0° |
| P09 | O17 | C16 | C13 | 54.7° | 52.7° |
| P09 | O17 | C16 | H15 | 65.7° | 172.5° |
| P09 | O17 | C16 | H16 | 175.1° | 67.2° |
| O10 | P09 | O17 | C16 | 75.2° | 80.4° |
| C12 | C13 | C16 | O17 | 52.1° | 63.2° |
| C12 | C13 | C16 | C15 | 118.3° | 120.3° |
| C13 | C12 | H1 | H2 | 119.8° | 120.2° |
| C12 | C13 | C16 | H15 | 68.2° | 177.0° |
| C12 | C13 | C16 | H16 | 172.5° | 56.8° |
| C12 | C13 | C15 | H17 | 58.9° | 60.1° |
| C12 | C13 | C15 | H18 | 178.9° | 180.0° |
| C12 | C13 | C15 | H19 | 61.2° | 60.0° |
| C12 | C13 | C14 | H30 | 180.0° | 60.0° |
| C12 | C13 | C14 | H31 | 60.0° | 179.9° |
| C12 | C13 | C14 | H32 | 60.0° | 60.1° |
| O17 | C16 | C13 | H15 | 120.4° | 119.8° |
| O17 | C16 | C13 | H16 | 120.4° | 120.0° |
| O17 | C16 | C13 | C15 | 170.5° | 176.5° |
| O17 | C16 | H15 | H16 | 118.8° | 120.3° |
| C16 | C13 | C12 | H1 | 174.2° | 56.7° |
| C16 | C13 | C12 | H2 | 65.9° | 176.9° |
| C13 | C16 | H15 | H16 | 118.8° | 120.2° |
| C16 | C13 | C15 | H17 | 60.5° | 61.2° |
| C16 | C13 | C15 | H18 | 59.5° | 58.7° |
| C16 | C13 | C15 | H19 | 179.5° | 178.7° |
| C16 | C13 | C14 | H30 | 58.2° | 178.8° |
| C16 | C13 | C14 | H31 | 61.8° | 58.8° |
| C16 | C13 | C14 | H32 | 178.2° | 61.2° |
| C15 | C13 | C12 | H1 | 67.4° | 63.7° |
| C15 | C13 | C12 | H2 | 52.5° | 56.5° |
| C15 | C13 | C16 | H15 | 50.1° | 56.7° |
| C15 | C13 | C16 | H16 | 69.1° | 63.5° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H19 | 120.0° | 120.1° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C13 | C14 | H30 | 60.6° | 59.3° |
| C15 | C13 | C14 | H31 | 179.4° | 60.7° |
| C15 | C13 | C14 | H32 | 59.5° | 179.3° |
| H3 | C36 | C35 | H4 | 0.2° | 0.2° |
| H3 | C36 | C37 | H33 | 0.5° | 0.0° |
| H7 | C31 | C30 | H9 | 167.5° | 55.8° |
| H7 | C31 | C30 | H10 | 48.3° | 64.2° |
| H8 | C31 | C30 | H9 | 74.5° | 64.2° |
| H8 | C31 | C30 | H10 | 166.2° | 175.8° |
| H12 | C21 | C20 | H13 | 0.9° | 0.1° |
| H13 | C20 | C19 | H14 | 1.2° | 0.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C01 | H21 | H22 | 120.0° | 120.0° |
| H25 | C05 | H26 | H27 | 120.0° | 120.0° |
| H30 | C14 | H31 | H32 | 120.0° | 120.1° |
| H33 | C37 | C38 | H34 | 0.6° | 0.0° |
| H34 | C38 | C39 | H35 | 0.1° | 0.2° |
| H36 | C41 | C42 | H37 | 1.3° | 0.0° |
| H37 | C42 | C43 | H38 | 0.3° | 0.0° |
| H38 | C43 | C44 | H39 | 1.0° | 0.0° |
| H39 | C44 | C45 | H40 | 1.3° | 0.2° |
