7RQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C45 | sing | 1.34Å | 1.40Å | |
| O40 | C38 | doub | 1.22Å | 1.19Å | |
| O49 | N48 | doub | 1.22Å | 1.17Å | |
| C45 | C44 | sing | 1.50Å | 1.53Å | |
| C45 | C39 | doub | 1.38Å | 1.33Å | |
| O50 | N48 | sing | 1.22Å | 1.40Å | |
| N48 | C02 | sing | 1.48Å | 1.46Å | |
| C38 | C39 | sing | 1.47Å | 1.53Å | |
| C38 | C01 | sing | 1.48Å | 1.54Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.47Å | 1.53Å | |
| C02 | C01 | doub | 1.40Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | O47 | doub | 1.21Å | 1.18Å | |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.48Å | 1.54Å | |
| C07 | O08 | doub | 1.22Å | 1.17Å | |
| C07 | N37 | sing | 1.35Å | 1.46Å | |
| N37 | C36 | sing | 1.46Å | 1.45Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| N09 | C31 | sing | 1.46Å | 1.46Å | |
| N09 | C10 | sing | 1.40Å | 1.47Å | |
| C10 | C15 | doub | 1.38Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.30Å | Aromatic |
| C27 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.45Å | Aromatic |
| C14 | O19 | sing | 1.36Å | 1.29Å | |
| C14 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| O19 | C18 | sing | 1.36Å | 1.32Å | |
| C28 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.48Å | Aromatic |
| C12 | C30 | doub | 1.40Å | 1.37Å | Aromatic |
| C25 | N24 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N24 | sing | 1.47Å | 1.46Å | |
| C13 | N16 | sing | 1.41Å | 1.54Å | |
| N24 | C22 | sing | 1.40Å | 1.25Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.41Å | 1.35Å | |
| C17 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| N09 | H38 | sing | 0.97Å | 1.00Å | |
| N16 | H39 | sing | 0.97Å | 1.00Å | |
| N37 | H40 | sing | 0.97Å | 1.00Å | |
| O46 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C45 | C44 | 115.5° | 118.7° |
| O46 | C45 | C39 | 121.7° | 118.7° |
| C45 | O46 | H41 | 109.5° | 116.9° |
| O40 | C38 | C39 | 118.4° | 120.0° |
| O40 | C38 | C01 | 118.1° | 120.0° |
| O49 | N48 | O50 | 118.6° | 119.9° |
| O49 | N48 | C02 | 121.7° | 120.0° |
| C44 | C45 | C39 | 121.9° | 122.5° |
| C45 | C44 | C43 | 114.3° | 111.2° |
| C45 | C44 | H35 | 108.2° | 109.3° |
| C45 | C44 | H36 | 108.3° | 108.9° |
| C45 | C39 | C38 | 121.6° | 120.0° |
| C45 | C39 | C41 | 118.9° | 120.0° |
| O50 | N48 | C02 | 119.7° | 120.0° |
| N48 | C02 | C01 | 122.1° | 120.0° |
| N48 | C02 | C03 | 117.2° | 120.0° |
| C39 | C38 | C01 | 123.5° | 120.0° |
| C38 | C39 | C41 | 119.0° | 120.0° |
| C38 | C01 | C02 | 124.7° | 120.0° |
| C38 | C01 | C06 | 116.9° | 120.0° |
| C44 | C43 | C42 | 113.2° | 109.3° |
| C44 | C43 | H33 | 108.6° | 109.5° |
| C44 | C43 | H34 | 108.5° | 109.6° |
| C43 | C44 | H35 | 108.3° | 109.2° |
| C43 | C44 | H36 | 108.3° | 109.1° |
| C39 | C41 | C42 | 119.5° | 117.7° |
| C39 | C41 | O47 | 120.7° | 121.2° |
| C01 | C02 | C03 | 120.7° | 119.9° |
| C02 | C01 | C06 | 118.4° | 120.0° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C02 | C03 | H8 | 120.0° | 119.9° |
| C01 | C06 | C05 | 120.5° | 120.0° |
| C01 | C06 | H10 | 119.7° | 120.0° |
| C43 | C42 | C41 | 111.1° | 107.5° |
| C43 | C42 | H31 | 109.1° | 109.9° |
| C43 | C42 | H32 | 109.0° | 109.9° |
| C42 | C43 | H33 | 108.6° | 109.5° |
| C42 | C43 | H34 | 108.5° | 109.5° |
| C42 | C41 | O47 | 119.8° | 121.2° |
| C41 | C42 | H31 | 109.1° | 109.8° |
| C41 | C42 | H32 | 109.1° | 109.9° |
| C03 | C04 | C05 | 118.4° | 120.0° |
| C03 | C04 | C07 | 128.3° | 120.0° |
| C04 | C03 | H8 | 120.0° | 120.0° |
| C06 | C05 | C04 | 122.0° | 120.0° |
| C06 | C05 | H9 | 119.0° | 120.0° |
| C05 | C06 | H10 | 119.8° | 120.0° |
| C05 | C04 | C07 | 113.3° | 120.0° |
| C04 | C05 | H9 | 119.0° | 120.0° |
| C04 | C07 | O08 | 112.0° | 120.0° |
| C04 | C07 | N37 | 136.3° | 120.0° |
| O08 | C07 | N37 | 111.6° | 120.0° |
| C07 | N37 | C36 | 137.6° | 120.0° |
| C07 | N37 | H40 | 111.2° | 120.0° |
| N37 | C36 | C35 | 102.1° | 109.5° |
| N37 | C36 | H28 | 111.3° | 109.4° |
| N37 | C36 | H29 | 111.3° | 109.5° |
| C36 | N37 | H40 | 111.2° | 120.0° |
| C36 | C35 | C34 | 116.9° | 109.5° |
| C36 | C35 | H26 | 107.6° | 109.5° |
| C36 | C35 | H27 | 107.6° | 109.5° |
| C35 | C36 | H28 | 111.3° | 109.5° |
| C35 | C36 | H29 | 111.3° | 109.5° |
| C35 | C34 | C33 | 110.0° | 109.5° |
| C35 | C34 | H24 | 109.4° | 109.5° |
| C35 | C34 | H25 | 109.4° | 109.5° |
| C34 | C35 | H26 | 107.6° | 109.5° |
| C34 | C35 | H27 | 107.6° | 109.5° |
| C34 | C33 | C32 | 112.1° | 109.5° |
| C34 | C33 | H22 | 108.8° | 109.5° |
| C34 | C33 | H23 | 108.8° | 109.4° |
| C33 | C34 | H24 | 109.3° | 109.5° |
| C33 | C34 | H25 | 109.3° | 109.5° |
| C33 | C32 | C31 | 111.7° | 109.5° |
| C33 | C32 | H20 | 108.9° | 109.4° |
| C33 | C32 | H21 | 108.9° | 109.5° |
| C32 | C33 | H22 | 108.8° | 109.5° |
| C32 | C33 | H23 | 108.8° | 109.5° |
| C32 | C31 | N09 | 111.5° | 109.5° |
| C32 | C31 | H18 | 109.0° | 109.5° |
| C32 | C31 | H19 | 109.0° | 109.5° |
| C31 | C32 | H20 | 108.9° | 109.5° |
| C31 | C32 | H21 | 108.9° | 109.5° |
| C31 | N09 | C10 | 121.5° | 120.0° |
| N09 | C31 | H18 | 109.0° | 109.5° |
| N09 | C31 | H19 | 109.0° | 109.5° |
| C31 | N09 | H38 | 106.4° | 120.0° |
| N09 | C10 | C15 | 122.4° | 120.0° |
| N09 | C10 | C11 | 120.0° | 120.1° |
| C10 | N09 | H38 | 106.4° | 120.0° |
| C15 | C10 | C11 | 117.6° | 119.9° |
| C10 | C15 | C14 | 131.6° | 120.9° |
| C10 | C15 | H1 | 114.2° | 119.5° |
| C10 | C11 | C27 | 123.9° | 121.3° |
| C10 | C11 | C12 | 117.4° | 119.4° |
| C15 | C14 | O19 | 130.6° | 119.4° |
| C15 | C14 | C13 | 116.2° | 120.2° |
| C14 | C15 | H1 | 114.2° | 119.5° |
| C11 | C27 | C28 | 120.5° | 119.7° |
| C27 | C11 | C12 | 118.7° | 119.3° |
| C11 | C27 | H15 | 119.8° | 120.2° |
| C27 | C28 | C29 | 120.1° | 120.9° |
| C27 | C28 | H7 | 119.9° | 119.6° |
| C28 | C27 | H15 | 119.7° | 120.1° |
| C11 | C12 | C13 | 117.8° | 119.4° |
| C11 | C12 | C30 | 121.0° | 119.3° |
| O19 | C14 | C13 | 113.2° | 120.4° |
| C14 | O19 | C18 | 126.1° | 119.9° |
| C14 | C13 | C12 | 119.5° | 120.2° |
| C14 | C13 | N16 | 116.7° | 119.4° |
| O19 | C18 | C23 | 126.7° | 120.1° |
| O19 | C18 | C17 | 115.2° | 120.4° |
| C28 | C29 | C30 | 119.7° | 120.9° |
| C29 | C28 | H7 | 119.9° | 119.5° |
| C28 | C29 | H16 | 120.2° | 119.5° |
| C18 | C23 | C22 | 119.6° | 120.0° |
| C23 | C18 | C17 | 118.1° | 119.5° |
| C18 | C23 | H11 | 120.2° | 120.0° |
| C23 | C22 | N24 | 122.9° | 119.9° |
| C23 | C22 | C21 | 120.7° | 120.2° |
| C22 | C23 | H11 | 120.2° | 120.0° |
| C13 | C12 | C30 | 121.2° | 121.3° |
| C12 | C13 | N16 | 123.9° | 120.4° |
| C12 | C30 | C29 | 119.9° | 119.7° |
| C12 | C30 | H17 | 120.0° | 120.1° |
| C25 | N24 | C26 | 120.0° | 120.0° |
| C25 | N24 | C22 | 121.4° | 120.0° |
| N24 | C25 | H12 | 109.5° | 109.5° |
| N24 | C25 | H13 | 109.5° | 109.5° |
| N24 | C25 | H14 | 109.4° | 109.5° |
| C18 | C17 | N16 | 116.5° | 118.9° |
| C18 | C17 | C20 | 122.3° | 120.5° |
| C26 | N24 | C22 | 118.6° | 120.0° |
| N24 | C26 | H4 | 109.5° | 109.5° |
| N24 | C26 | H5 | 109.5° | 109.5° |
| N24 | C26 | H6 | 109.5° | 109.5° |
| C13 | N16 | C17 | 114.2° | 117.7° |
| C13 | N16 | H39 | 122.9° | 121.2° |
| N24 | C22 | C21 | 116.4° | 119.9° |
| C22 | C21 | C20 | 120.0° | 120.0° |
| C22 | C21 | H3 | 120.0° | 120.0° |
| C30 | C29 | H16 | 120.1° | 119.5° |
| C29 | C30 | H17 | 120.1° | 120.1° |
| N16 | C17 | C20 | 121.2° | 120.6° |
| C17 | N16 | H39 | 122.9° | 121.1° |
| C17 | C20 | C21 | 119.3° | 119.9° |
| C17 | C20 | H2 | 120.4° | 120.1° |
| C21 | C20 | H2 | 120.4° | 120.0° |
| C20 | C21 | H3 | 120.0° | 120.0° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H4 | C26 | H6 | 109.4° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.4° | 109.5° |
| H18 | C31 | H19 | 109.4° | 109.5° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.4° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.4° | 109.5° |
| H31 | C42 | H32 | 109.5° | 109.9° |
| H33 | C43 | H34 | 109.4° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C45 | C44 | C39 | 169.1° | 179.4° |
| O46 | C45 | C39 | C38 | 0.9° | 0.8° |
| O46 | C45 | C44 | C43 | 160.8° | 158.0° |
| O46 | C45 | C39 | C41 | 171.1° | 179.5° |
| O46 | C45 | C44 | H35 | 78.4° | 37.3° |
| O46 | C45 | C44 | H36 | 40.1° | 81.8° |
| O40 | C38 | C39 | C45 | 8.2° | 5.8° |
| O40 | C38 | C39 | C01 | 178.4° | 180.0° |
| O40 | C38 | C39 | C41 | 163.7° | 173.9° |
| O40 | C38 | C01 | C02 | 81.9° | 103.1° |
| O40 | C38 | C01 | C06 | 96.1° | 77.1° |
| O49 | N48 | O50 | C02 | 178.4° | 180.0° |
| O49 | N48 | C02 | C01 | 19.1° | 175.2° |
| O49 | N48 | C02 | C03 | 160.0° | 4.8° |
| C44 | C45 | C39 | C38 | 167.5° | 179.8° |
| C45 | C44 | C43 | H35 | 120.7° | 120.7° |
| C45 | C44 | C43 | H36 | 120.7° | 120.1° |
| C44 | C45 | C39 | C41 | 20.5° | 0.1° |
| C45 | C44 | C43 | C42 | 44.4° | 53.2° |
| C45 | C44 | C43 | H33 | 164.9° | 66.8° |
| C45 | C44 | C43 | H34 | 76.2° | 173.2° |
| C45 | C44 | H35 | H36 | 117.8° | 118.9° |
| C44 | C45 | O46 | H41 | 171.6° | 174.6° |
| C45 | C39 | C38 | C41 | 171.9° | 179.7° |
| C45 | C39 | C38 | C01 | 170.2° | 174.2° |
| C39 | C45 | C44 | C43 | 8.2° | 21.5° |
| C45 | C39 | C41 | C42 | 13.4° | 11.5° |
| C45 | C39 | C41 | O47 | 165.8° | 168.5° |
| C39 | C45 | C44 | H35 | 112.5° | 142.1° |
| C39 | C45 | C44 | H36 | 129.0° | 98.8° |
| C39 | C45 | O46 | H41 | 2.5° | 6.0° |
| O50 | N48 | C02 | C01 | 162.6° | 4.8° |
| O50 | N48 | C02 | C03 | 18.3° | 175.2° |
| N48 | C02 | C01 | C38 | 2.2° | 0.3° |
| N48 | C02 | C01 | C03 | 179.1° | 180.0° |
| N48 | C02 | C01 | C06 | 179.8° | 180.0° |
| N48 | C02 | C03 | C04 | 178.8° | 180.0° |
| N48 | C02 | C03 | H8 | 1.2° | 0.0° |
| C39 | C38 | C01 | C02 | 99.7° | 76.9° |
| C39 | C38 | C01 | C06 | 82.3° | 102.8° |
| C38 | C39 | C41 | C42 | 174.5° | 168.2° |
| C38 | C39 | C41 | O47 | 6.3° | 11.8° |
| C01 | C38 | C39 | C41 | 17.8° | 6.1° |
| C38 | C01 | C02 | C06 | 178.0° | 179.7° |
| C38 | C01 | C02 | C03 | 178.7° | 179.7° |
| C38 | C01 | C06 | C05 | 178.7° | 179.7° |
| C38 | C01 | C06 | H10 | 1.3° | 0.2° |
| C44 | C43 | C42 | H33 | 120.6° | 120.0° |
| C44 | C43 | C42 | H34 | 120.6° | 120.0° |
| C44 | C43 | C42 | C41 | 49.4° | 63.3° |
| C44 | C43 | C42 | H31 | 70.8° | 177.3° |
| C44 | C43 | C42 | H32 | 169.6° | 56.3° |
| C44 | C43 | H33 | H34 | 118.3° | 120.2° |
| C43 | C44 | H35 | H36 | 117.8° | 119.2° |
| C39 | C41 | C42 | C43 | 21.9° | 42.7° |
| C39 | C41 | C42 | O47 | 179.2° | 180.0° |
| C39 | C41 | C42 | H31 | 98.4° | 162.2° |
| C39 | C41 | C42 | H32 | 142.1° | 76.8° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | C03 | H8 | 179.7° | 180.0° |
| C02 | C01 | C06 | H10 | 179.5° | 180.0° |
| C03 | C02 | C01 | C06 | 0.7° | 0.0° |
| C02 | C03 | C04 | H8 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.5° | 0.0° |
| C02 | C03 | C04 | C07 | 177.8° | 179.9° |
| C01 | C06 | C05 | H10 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.7° | 0.0° |
| C01 | C06 | C05 | H9 | 179.3° | 180.0° |
| C43 | C42 | C41 | H31 | 120.2° | 119.5° |
| C43 | C42 | C41 | H32 | 120.2° | 119.5° |
| C43 | C42 | C41 | O47 | 158.9° | 137.3° |
| C43 | C42 | H31 | H32 | 119.3° | 121.0° |
| C42 | C43 | H33 | H34 | 118.3° | 120.0° |
| C42 | C43 | C44 | H35 | 76.3° | 173.9° |
| C42 | C43 | C44 | H36 | 165.1° | 66.9° |
| C41 | C42 | H31 | H32 | 119.3° | 121.0° |
| C41 | C42 | C43 | H33 | 170.0° | 56.7° |
| C41 | C42 | C43 | H34 | 71.2° | 176.7° |
| O47 | C41 | C42 | H31 | 80.8° | 17.8° |
| O47 | C41 | C42 | H32 | 38.7° | 103.2° |
| C03 | C04 | C05 | C06 | 1.7° | 0.0° |
| C03 | C04 | C05 | C07 | 176.8° | 180.0° |
| C03 | C04 | C07 | O08 | 151.1° | 0.0° |
| C03 | C04 | C07 | N37 | 28.3° | 180.0° |
| C03 | C04 | C05 | H9 | 178.3° | 180.0° |
| C06 | C05 | C04 | H9 | 180.0° | 180.0° |
| C06 | C05 | C04 | C07 | 178.6° | 179.9° |
| C05 | C04 | C07 | O08 | 25.4° | 180.0° |
| C05 | C04 | C07 | N37 | 155.2° | 0.1° |
| C05 | C04 | C03 | H8 | 178.5° | 180.0° |
| C04 | C05 | C06 | H10 | 179.3° | 180.0° |
| C04 | C07 | O08 | N37 | 179.6° | 180.0° |
| C04 | C07 | N37 | C36 | 0.1° | 180.0° |
| C07 | C04 | C03 | H8 | 2.2° | 0.0° |
| C07 | C04 | C05 | H9 | 1.4° | 0.0° |
| C04 | C07 | N37 | H40 | 179.9° | 0.0° |
| O08 | C07 | N37 | C36 | 179.3° | 0.1° |
| O08 | C07 | N37 | H40 | 0.7° | 180.0° |
| C07 | N37 | C36 | H40 | 180.0° | 179.9° |
| C07 | N37 | C36 | C35 | 177.1° | 180.0° |
| C07 | N37 | C36 | H28 | 58.3° | 60.1° |
| C07 | N37 | C36 | H29 | 64.1° | 59.9° |
| N37 | C36 | C35 | H28 | 118.8° | 120.0° |
| N37 | C36 | C35 | H29 | 118.8° | 120.1° |
| N37 | C36 | C35 | C34 | 175.3° | 180.0° |
| N37 | C36 | C35 | H26 | 54.2° | 60.0° |
| N37 | C36 | C35 | H27 | 63.6° | 60.0° |
| N37 | C36 | H28 | H29 | 123.5° | 120.0° |
| C36 | C35 | C34 | H26 | 121.1° | 120.0° |
| C36 | C35 | C34 | H27 | 121.1° | 120.0° |
| C36 | C35 | C34 | C33 | 176.8° | 180.0° |
| C36 | C35 | C34 | H24 | 63.1° | 60.0° |
| C36 | C35 | C34 | H25 | 56.8° | 60.0° |
| C36 | C35 | H26 | H27 | 116.6° | 120.0° |
| C35 | C36 | H28 | H29 | 123.4° | 120.0° |
| C35 | C36 | N37 | H40 | 2.9° | 0.0° |
| C35 | C34 | C33 | H24 | 120.1° | 120.0° |
| C35 | C34 | C33 | H25 | 120.1° | 120.0° |
| C35 | C34 | C33 | C32 | 121.6° | 180.0° |
| C35 | C34 | C33 | H22 | 118.0° | 60.0° |
| C35 | C34 | C33 | H23 | 1.1° | 60.0° |
| C35 | C34 | H24 | H25 | 119.8° | 120.0° |
| C34 | C35 | H26 | H27 | 116.6° | 120.0° |
| C34 | C35 | C36 | H28 | 65.9° | 60.0° |
| C34 | C35 | C36 | H29 | 56.5° | 60.0° |
| C34 | C33 | C32 | H22 | 120.4° | 120.0° |
| C34 | C33 | C32 | H23 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 173.8° | 180.0° |
| C34 | C33 | C32 | H20 | 65.9° | 60.0° |
| C34 | C33 | C32 | H21 | 53.4° | 60.0° |
| C34 | C33 | H22 | H23 | 118.8° | 119.9° |
| C33 | C34 | H24 | H25 | 119.8° | 120.0° |
| C33 | C34 | C35 | H26 | 55.7° | 60.0° |
| C33 | C34 | C35 | H27 | 62.1° | 60.0° |
| C33 | C32 | C31 | H20 | 120.3° | 120.0° |
| C33 | C32 | C31 | H21 | 120.3° | 120.0° |
| C33 | C32 | C31 | N09 | 144.8° | 180.0° |
| C33 | C32 | C31 | H18 | 24.5° | 60.0° |
| C33 | C32 | C31 | H19 | 94.8° | 60.0° |
| C33 | C32 | H20 | H21 | 118.9° | 120.0° |
| C32 | C33 | H22 | H23 | 118.8° | 120.1° |
| C32 | C33 | C34 | H24 | 1.5° | 60.0° |
| C32 | C33 | C34 | H25 | 118.4° | 60.0° |
| C32 | C31 | N09 | H18 | 120.3° | 120.0° |
| C32 | C31 | N09 | H19 | 120.3° | 120.0° |
| C32 | C31 | N09 | C10 | 148.1° | 180.0° |
| C32 | C31 | H18 | H19 | 119.1° | 120.0° |
| C31 | C32 | H20 | H21 | 119.0° | 120.0° |
| C31 | C32 | C33 | H22 | 53.4° | 60.0° |
| C31 | C32 | C33 | H23 | 65.8° | 60.0° |
| C32 | C31 | N09 | H38 | 90.2° | 0.0° |
| C31 | N09 | C10 | H38 | 121.7° | 180.0° |
| C31 | N09 | C10 | C15 | 107.0° | 0.0° |
| C31 | N09 | C10 | C11 | 72.9° | 179.7° |
| N09 | C31 | H18 | H19 | 119.1° | 120.0° |
| N09 | C31 | C32 | H20 | 94.8° | 60.0° |
| N09 | C31 | C32 | H21 | 24.5° | 60.0° |
| N09 | C10 | C15 | C11 | 180.0° | 179.7° |
| N09 | C10 | C15 | C14 | 179.7° | 179.8° |
| N09 | C10 | C11 | C27 | 0.1° | 0.3° |
| N09 | C10 | C11 | C12 | 179.9° | 179.7° |
| N09 | C10 | C15 | H1 | 0.3° | 0.2° |
| C10 | N09 | C31 | H18 | 27.8° | 60.0° |
| C10 | N09 | C31 | H19 | 91.6° | 60.0° |
| C10 | C15 | C14 | H1 | 180.0° | 180.0° |
| C15 | C10 | C11 | C27 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C15 | C14 | O19 | 178.5° | 180.0° |
| C10 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C10 | N09 | H38 | 14.6° | 180.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C10 | C11 | C27 | C12 | 179.9° | 180.0° |
| C10 | C11 | C27 | C28 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | C30 | 179.9° | 180.0° |
| C11 | C10 | C15 | H1 | 179.7° | 179.9° |
| C10 | C11 | C27 | H15 | 0.1° | 0.0° |
| C11 | C10 | N09 | H38 | 165.4° | 0.3° |
| C15 | C14 | O19 | C13 | 178.2° | 179.9° |
| C15 | C14 | O19 | C18 | 142.2° | 164.7° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | N16 | 180.0° | 179.8° |
| C11 | C27 | C28 | H15 | 180.0° | 179.9° |
| C11 | C27 | C28 | C29 | 0.2° | 0.1° |
| C27 | C11 | C12 | C13 | 180.0° | 179.9° |
| C27 | C11 | C12 | C30 | 0.2° | 0.1° |
| C11 | C27 | C28 | H7 | 179.8° | 180.0° |
| C28 | C27 | C11 | C12 | 0.2° | 0.0° |
| C27 | C28 | C29 | H7 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H16 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | C30 | 179.8° | 180.0° |
| C11 | C12 | C13 | N16 | 179.7° | 179.8° |
| C11 | C12 | C30 | C29 | 0.0° | 0.1° |
| C12 | C11 | C27 | H15 | 179.8° | 179.9° |
| C11 | C12 | C30 | H17 | 179.9° | 179.9° |
| C14 | O19 | C18 | C23 | 140.3° | 164.7° |
| O19 | C14 | C13 | C12 | 178.7° | 179.9° |
| C14 | O19 | C18 | C17 | 38.7° | 15.5° |
| O19 | C14 | C13 | N16 | 1.6° | 0.2° |
| O19 | C14 | C15 | H1 | 1.5° | 0.0° |
| C13 | C14 | O19 | C18 | 36.0° | 15.3° |
| C14 | C13 | C12 | N16 | 179.8° | 179.9° |
| C14 | C13 | C12 | C30 | 179.8° | 179.9° |
| C14 | C13 | N16 | C17 | 33.1° | 14.3° |
| C13 | C14 | C15 | H1 | 179.6° | 180.0° |
| C14 | C13 | N16 | H39 | 146.9° | 165.7° |
| O19 | C18 | C23 | C17 | 179.0° | 179.8° |
| O19 | C18 | C23 | C22 | 179.5° | 179.6° |
| O19 | C18 | C17 | N16 | 0.1° | 0.5° |
| O19 | C18 | C17 | C20 | 179.2° | 179.5° |
| O19 | C18 | C23 | H11 | 0.5° | 0.3° |
| C28 | C29 | C30 | C12 | 0.0° | 0.0° |
| C28 | C29 | C30 | H16 | 180.0° | 179.9° |
| C29 | C28 | C27 | H15 | 179.9° | 180.0° |
| C28 | C29 | C30 | H17 | 180.0° | 180.0° |
| C18 | C23 | C22 | H11 | 180.0° | 179.9° |
| C18 | C23 | C22 | N24 | 179.8° | 179.9° |
| C18 | C23 | C22 | C21 | 0.6° | 0.1° |
| C23 | C18 | C17 | N16 | 179.0° | 179.7° |
| C23 | C18 | C17 | C20 | 0.1° | 0.3° |
| C23 | C22 | N24 | C25 | 48.2° | 0.1° |
| C22 | C23 | C18 | C17 | 0.5° | 0.2° |
| C23 | C22 | N24 | C26 | 132.9° | 179.9° |
| C23 | C22 | N24 | C21 | 179.3° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C23 | C22 | C21 | H3 | 179.9° | 179.8° |
| C13 | C12 | C30 | C29 | 179.8° | 179.9° |
| C12 | C13 | N16 | C17 | 147.2° | 165.6° |
| C13 | C12 | C30 | H17 | 0.1° | 0.1° |
| C12 | C13 | N16 | H39 | 32.8° | 14.3° |
| C30 | C12 | C13 | N16 | 0.1° | 0.2° |
| C12 | C30 | C29 | H17 | 180.0° | 180.0° |
| C12 | C30 | C29 | H16 | 180.0° | 179.9° |
| C25 | N24 | C26 | C22 | 179.0° | 180.0° |
| C25 | N24 | C22 | C21 | 132.5° | 180.0° |
| C25 | N24 | C26 | H4 | 180.0° | 90.0° |
| C25 | N24 | C26 | H5 | 60.0° | 150.0° |
| C25 | N24 | C26 | H6 | 60.0° | 30.0° |
| N24 | C25 | H12 | H13 | 120.0° | 120.0° |
| N24 | C25 | H12 | H14 | 120.0° | 120.0° |
| N24 | C25 | H13 | H14 | 119.9° | 120.0° |
| C18 | C17 | N16 | C13 | 30.9° | 14.1° |
| C18 | C17 | N16 | C20 | 179.1° | 180.0° |
| C18 | C17 | C20 | C21 | 0.3° | 0.2° |
| C18 | C17 | C20 | H2 | 179.6° | 179.8° |
| C17 | C18 | C23 | H11 | 179.5° | 179.9° |
| C18 | C17 | N16 | H39 | 149.2° | 165.9° |
| C26 | N24 | C22 | C21 | 46.4° | 0.0° |
| N24 | C26 | H4 | H5 | 120.0° | 120.0° |
| N24 | C26 | H4 | H6 | 120.0° | 120.0° |
| N24 | C26 | H5 | H6 | 120.0° | 120.0° |
| C26 | N24 | C25 | H12 | 180.0° | 90.0° |
| C26 | N24 | C25 | H13 | 60.0° | 150.1° |
| C26 | N24 | C25 | H14 | 60.0° | 30.0° |
| C13 | N16 | C17 | H39 | 180.0° | 180.0° |
| C13 | N16 | C17 | C20 | 148.3° | 165.9° |
| N24 | C22 | C21 | C20 | 179.4° | 180.0° |
| N24 | C22 | C21 | H3 | 0.6° | 0.1° |
| C22 | N24 | C26 | H4 | 1.0° | 90.0° |
| C22 | N24 | C26 | H5 | 119.0° | 30.0° |
| C22 | N24 | C26 | H6 | 121.0° | 149.9° |
| N24 | C22 | C23 | H11 | 0.2° | 0.0° |
| C22 | N24 | C25 | H12 | 1.0° | 90.0° |
| C22 | N24 | C25 | H13 | 121.1° | 30.0° |
| C22 | N24 | C25 | H14 | 119.0° | 150.0° |
| C22 | C21 | C20 | C17 | 0.3° | 0.0° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 179.7° | 180.0° |
| C21 | C22 | C23 | H11 | 179.4° | 179.9° |
| C30 | C29 | C28 | H7 | 179.9° | 180.0° |
| N16 | C17 | C20 | C21 | 179.4° | 179.8° |
| N16 | C17 | C20 | H2 | 0.6° | 0.2° |
| C17 | C20 | C21 | H2 | 180.0° | 179.9° |
| C17 | C20 | C21 | H3 | 179.7° | 180.0° |
| C20 | C17 | N16 | H39 | 31.7° | 14.1° |
| H2 | C20 | C21 | H3 | 0.4° | 0.1° |
| H4 | C26 | H5 | H6 | 120.0° | 120.0° |
| H7 | C28 | C27 | H15 | 0.1° | 0.1° |
| H7 | C28 | C29 | H16 | 0.1° | 0.1° |
| H9 | C05 | C06 | H10 | 0.7° | 0.1° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H16 | C29 | C30 | H17 | 0.0° | 0.1° |
| H18 | C31 | C32 | H20 | 144.8° | 60.0° |
| H18 | C31 | C32 | H21 | 95.8° | 180.0° |
| H18 | C31 | N09 | H38 | 149.5° | 120.0° |
| H19 | C31 | C32 | H20 | 25.5° | 180.0° |
| H19 | C31 | C32 | H21 | 144.8° | 60.0° |
| H19 | C31 | N09 | H38 | 30.1° | 120.0° |
| H20 | C32 | C33 | H22 | 173.7° | 180.0° |
| H20 | C32 | C33 | H23 | 54.6° | 60.0° |
| H21 | C32 | C33 | H22 | 67.0° | 60.0° |
| H21 | C32 | C33 | H23 | 173.9° | 180.0° |
| H22 | C33 | C34 | H24 | 121.9° | NaN° |
| H22 | C33 | C34 | H25 | 2.0° | 60.0° |
| H23 | C33 | C34 | H24 | 118.9° | 60.0° |
| H23 | C33 | C34 | H25 | 121.2° | 180.0° |
| H24 | C34 | C35 | H26 | 175.8° | 180.0° |
| H24 | C34 | C35 | H27 | 57.9° | 60.0° |
| H25 | C34 | C35 | H26 | 64.3° | 60.0° |
| H25 | C34 | C35 | H27 | 177.8° | 180.0° |
| H26 | C35 | C36 | H28 | 173.0° | NaN° |
| H26 | C35 | C36 | H29 | 64.6° | 60.0° |
| H27 | C35 | C36 | H28 | 55.2° | 60.0° |
| H27 | C35 | C36 | H29 | 177.6° | 180.0° |
| H28 | C36 | N37 | H40 | 121.7° | 120.0° |
| H29 | C36 | N37 | H40 | 115.9° | 120.0° |
| H31 | C42 | C43 | H33 | 49.7° | 62.7° |
| H31 | C42 | C43 | H34 | 168.6° | 57.3° |
| H32 | C42 | C43 | H33 | 69.8° | 176.2° |
| H32 | C42 | C43 | H34 | 49.1° | 63.8° |
| H33 | C43 | C44 | H35 | 44.3° | 54.0° |
| H33 | C43 | C44 | H36 | 74.4° | 173.2° |
| H34 | C43 | C44 | H35 | 163.1° | 66.1° |
| H34 | C43 | C44 | H36 | 44.5° | 53.1° |
