7IR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N49 | C47 | sing | 1.35Å | 1.44Å | |
| N49 | C18 | sing | 1.39Å | 1.51Å | |
| O48 | C47 | doub | 1.21Å | 1.18Å | |
| C47 | C21 | sing | 1.51Å | 1.46Å | |
| N17 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.50Å | 1.51Å | |
| C21 | C29 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.52Å | |
| C23 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.32Å | 1.32Å | |
| N27 | C26 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.48Å | 1.52Å | |
| N32 | C30 | sing | 1.35Å | 1.45Å | |
| N32 | C33 | sing | 1.47Å | 1.45Å | |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| O11 | C10 | sing | 1.43Å | 1.40Å | |
| C30 | O31 | doub | 1.21Å | 1.18Å | |
| C34 | C33 | sing | 1.52Å | 1.52Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| O46 | C45 | doub | 1.24Å | 1.19Å | |
| C33 | C45 | sing | 1.49Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | O08 | sing | 1.43Å | 1.40Å | |
| C45 | N02 | sing | 1.33Å | 1.47Å | |
| C35 | C43 | doub | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| O08 | C07 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | O05 | sing | 1.43Å | 1.41Å | |
| O05 | C04 | sing | 1.43Å | 1.40Å | |
| C36 | C37 | doub | 1.37Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| N02 | C03 | sing | 1.48Å | 1.45Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C42 | C41 | sing | 1.46Å | 1.42Å | Aromatic |
| C42 | C38 | doub | 1.41Å | 1.37Å | Aromatic |
| C41 | N40 | doub | 1.30Å | 1.33Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 1.42Å | Aromatic |
| C37 | C44 | sing | 1.51Å | 1.53Å | |
| C38 | N39 | sing | 1.37Å | 1.36Å | Aromatic |
| N40 | N39 | sing | 1.40Å | 1.37Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.13Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| N32 | H37 | sing | 0.99Å | 1.00Å | |
| N39 | H38 | sing | 0.97Å | 1.00Å | |
| N49 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | N49 | C18 | 107.8° | 112.0° |
| N49 | C47 | O48 | 126.0° | 126.5° |
| N49 | C47 | C21 | 108.4° | 107.1° |
| C47 | N49 | H39 | 126.1° | 124.0° |
| N49 | C18 | N17 | 129.8° | 130.2° |
| N49 | C18 | C19 | 108.3° | 110.1° |
| C18 | N49 | H39 | 126.1° | 124.0° |
| O48 | C47 | C21 | 125.7° | 126.4° |
| C47 | C21 | C22 | 113.6° | 111.8° |
| C47 | C21 | C19 | 107.7° | 104.5° |
| C47 | C21 | C29 | 108.5° | 111.0° |
| C18 | N17 | C16 | 121.6° | 122.7° |
| N17 | C18 | C19 | 121.8° | 119.7° |
| N17 | C16 | C15 | 120.0° | 120.8° |
| N17 | C16 | H20 | 120.0° | 119.7° |
| C18 | C19 | C21 | 107.7° | 106.1° |
| C18 | C19 | C20 | 118.1° | 119.6° |
| C22 | C21 | C19 | 107.4° | 112.9° |
| C22 | C21 | C29 | 102.5° | 104.9° |
| C21 | C22 | C23 | 104.0° | 107.1° |
| C21 | C22 | H22 | 110.8° | 109.9° |
| C21 | C22 | H23 | 110.8° | 110.0° |
| C19 | C21 | C29 | 117.4° | 111.8° |
| C21 | C19 | C20 | 134.1° | 134.3° |
| C21 | C29 | C28 | 103.7° | 107.2° |
| C21 | C29 | H26 | 110.9° | 109.9° |
| C21 | C29 | H27 | 110.9° | 109.9° |
| C22 | C23 | C28 | 107.5° | 110.4° |
| C22 | C23 | C24 | 134.3° | 130.6° |
| C23 | C22 | H22 | 110.8° | 109.8° |
| C23 | C22 | H23 | 110.8° | 110.0° |
| C16 | C15 | C20 | 120.1° | 118.1° |
| C16 | C15 | C14 | 118.6° | 120.3° |
| C15 | C16 | H20 | 120.0° | 119.5° |
| C19 | C20 | C15 | 118.2° | 119.0° |
| C19 | C20 | H21 | 120.9° | 120.2° |
| C29 | C28 | C23 | 109.3° | 109.9° |
| C29 | C28 | N27 | 127.9° | 130.2° |
| C28 | C29 | H26 | 110.9° | 109.9° |
| C28 | C29 | H27 | 110.9° | 109.9° |
| C20 | C15 | C14 | 121.3° | 121.6° |
| C15 | C20 | H21 | 120.9° | 120.8° |
| C15 | C14 | C13 | 121.1° | 122.0° |
| C15 | C14 | H19 | 119.4° | 119.5° |
| C28 | C23 | C24 | 118.2° | 119.1° |
| C23 | C28 | N27 | 122.8° | 119.9° |
| C23 | C24 | C25 | 117.1° | 119.4° |
| C23 | C24 | H24 | 121.5° | 120.2° |
| C28 | N27 | C26 | 120.4° | 123.6° |
| C24 | C25 | C26 | 120.9° | 118.5° |
| C24 | C25 | C30 | 122.8° | 119.5° |
| C25 | C24 | H24 | 121.4° | 120.4° |
| C14 | C13 | C12 | 119.6° | 120.0° |
| C14 | C13 | H18 | 120.2° | 119.5° |
| C13 | C14 | H19 | 119.5° | 118.5° |
| N27 | C26 | C25 | 120.6° | 119.5° |
| N27 | C26 | H25 | 119.7° | 119.9° |
| C13 | C12 | O11 | 109.2° | 109.2° |
| C13 | C12 | H16 | 109.5° | 109.5° |
| C13 | C12 | H17 | 109.5° | 109.4° |
| C12 | C13 | H18 | 120.2° | 120.5° |
| C26 | C25 | C30 | 116.3° | 122.1° |
| C25 | C26 | H25 | 119.7° | 120.6° |
| C25 | C30 | N32 | 122.6° | 119.6° |
| C25 | C30 | O31 | 118.2° | 117.5° |
| C30 | N32 | C33 | 115.3° | 123.3° |
| N32 | C30 | O31 | 119.1° | 122.9° |
| C30 | N32 | H37 | 122.3° | 118.3° |
| N32 | C33 | C34 | 108.0° | 113.7° |
| N32 | C33 | C45 | 110.0° | 111.1° |
| N32 | C33 | H28 | 109.8° | 105.2° |
| C33 | N32 | H37 | 122.3° | 118.4° |
| C12 | O11 | C10 | 113.9° | 114.4° |
| O11 | C12 | H16 | 109.5° | 109.6° |
| O11 | C12 | H17 | 109.5° | 109.5° |
| O11 | C10 | C09 | 107.7° | 109.7° |
| O11 | C10 | H14 | 109.9° | 109.5° |
| O11 | C10 | H15 | 109.9° | 109.4° |
| C33 | C34 | C35 | 108.7° | 109.5° |
| C34 | C33 | C45 | 111.6° | 114.9° |
| C34 | C33 | H28 | 108.8° | 105.4° |
| C33 | C34 | H29 | 109.7° | 109.4° |
| C33 | C34 | H30 | 109.7° | 109.4° |
| C34 | C35 | C43 | 120.0° | 119.7° |
| C34 | C35 | C36 | 119.4° | 119.7° |
| C35 | C34 | H29 | 109.6° | 109.5° |
| C35 | C34 | H30 | 109.6° | 109.5° |
| O46 | C45 | C33 | 117.9° | 115.8° |
| O46 | C45 | N02 | 121.0° | 114.9° |
| C33 | C45 | N02 | 121.0° | 129.3° |
| C45 | C33 | H28 | 108.6° | 105.5° |
| C10 | C09 | O08 | 108.4° | 109.4° |
| C10 | C09 | H12 | 109.8° | 109.4° |
| C10 | C09 | H13 | 109.8° | 109.5° |
| C09 | C10 | H14 | 109.9° | 109.4° |
| C09 | C10 | H15 | 109.9° | 109.3° |
| C09 | O08 | C07 | 113.6° | 114.3° |
| O08 | C09 | H12 | 109.7° | 109.5° |
| O08 | C09 | H13 | 109.8° | 109.6° |
| C45 | N02 | C03 | 122.8° | 117.3° |
| C45 | N02 | C01 | 121.6° | 125.5° |
| C43 | C35 | C36 | 120.7° | 120.6° |
| C35 | C43 | C42 | 119.2° | 119.7° |
| C35 | C43 | H33 | 120.4° | 120.1° |
| C35 | C36 | C37 | 119.8° | 120.9° |
| C35 | C36 | H31 | 120.1° | 119.6° |
| O08 | C07 | C06 | 108.0° | 109.7° |
| O08 | C07 | H10 | 109.8° | 109.5° |
| O08 | C07 | H11 | 109.8° | 109.4° |
| C07 | C06 | O05 | 108.8° | 109.4° |
| C07 | C06 | H8 | 109.6° | 109.4° |
| C07 | C06 | H9 | 109.7° | 109.5° |
| C06 | C07 | H10 | 109.8° | 109.4° |
| C06 | C07 | H11 | 109.8° | 109.4° |
| C43 | C42 | C41 | 132.9° | 134.0° |
| C43 | C42 | C38 | 120.4° | 119.6° |
| C42 | C43 | H33 | 120.4° | 120.2° |
| C06 | O05 | C04 | 116.4° | 114.7° |
| O05 | C06 | H8 | 109.6° | 109.5° |
| O05 | C06 | H9 | 109.6° | 109.5° |
| O05 | C04 | C03 | 108.0° | 109.6° |
| O05 | C04 | H6 | 109.8° | 109.4° |
| O05 | C04 | H7 | 109.8° | 109.3° |
| C36 | C37 | C38 | 119.8° | 119.8° |
| C36 | C37 | C44 | 120.5° | 120.1° |
| C37 | C36 | H31 | 120.1° | 119.6° |
| C04 | C03 | N02 | 112.9° | 109.1° |
| C04 | C03 | H4 | 108.6° | 110.0° |
| C04 | C03 | H5 | 108.6° | 109.8° |
| C03 | C04 | H6 | 109.8° | 109.5° |
| C03 | C04 | H7 | 109.8° | 109.7° |
| C03 | N02 | C01 | 115.6° | 117.2° |
| N02 | C03 | H4 | 108.6° | 109.2° |
| N02 | C03 | H5 | 108.6° | 108.8° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C41 | C42 | C38 | 106.7° | 106.4° |
| C42 | C41 | N40 | 107.5° | 107.7° |
| C42 | C41 | H32 | 126.2° | 126.1° |
| C42 | C38 | C37 | 120.1° | 119.5° |
| C42 | C38 | N39 | 108.0° | 106.7° |
| C41 | N40 | N39 | 109.3° | 110.1° |
| N40 | C41 | H32 | 126.3° | 126.1° |
| C38 | C37 | C44 | 119.8° | 120.1° |
| C37 | C38 | N39 | 131.8° | 133.9° |
| C37 | C44 | H34 | 109.5° | 109.4° |
| C37 | C44 | H35 | 109.5° | 109.5° |
| C37 | C44 | H36 | 109.4° | 109.5° |
| C38 | N39 | N40 | 108.4° | 109.1° |
| C38 | N39 | H38 | 125.8° | 125.4° |
| N40 | N39 | H38 | 125.8° | 125.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 110.0° |
| H6 | C04 | H7 | 109.5° | 109.3° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.4° |
| H12 | C09 | H13 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.6° |
| H22 | C22 | H23 | 109.5° | 109.9° |
| H26 | C29 | H27 | 109.5° | 110.0° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H34 | C44 | H35 | 109.5° | 109.4° |
| H34 | C44 | H36 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | N49 | C18 | H39 | 180.0° | 180.0° |
| N49 | C47 | O48 | C21 | 179.8° | 180.0° |
| C47 | N49 | C18 | N17 | 179.9° | 178.9° |
| C47 | N49 | C18 | C19 | 0.9° | 0.0° |
| N49 | C47 | C21 | C22 | 117.2° | 126.7° |
| N49 | C47 | C21 | C19 | 1.6° | 4.3° |
| N49 | C47 | C21 | C29 | 129.6° | 116.4° |
| C18 | N49 | C47 | O48 | 179.7° | 177.2° |
| C18 | N49 | C47 | C21 | 0.5° | 2.8° |
| N49 | C18 | N17 | C19 | 179.1° | 178.8° |
| N49 | C18 | N17 | C16 | 179.7° | 177.8° |
| N49 | C18 | C19 | C21 | 1.9° | 2.8° |
| N49 | C18 | C19 | C20 | 179.4° | 177.5° |
| O48 | C47 | C21 | C22 | 62.6° | 53.3° |
| O48 | C47 | C21 | C19 | 178.6° | 175.7° |
| O48 | C47 | C21 | C29 | 50.6° | 63.5° |
| O48 | C47 | N49 | H39 | 0.3° | 2.8° |
| C47 | C21 | C19 | C18 | 2.2° | 4.2° |
| C47 | C21 | C22 | C19 | 119.0° | 117.5° |
| C47 | C21 | C22 | C29 | 116.8° | 120.5° |
| C47 | C21 | C19 | C29 | 122.7° | 120.2° |
| C47 | C21 | C22 | C23 | 151.4° | 128.0° |
| C47 | C21 | C19 | C20 | 179.1° | 176.2° |
| C47 | C21 | C29 | C28 | 154.5° | 127.8° |
| C47 | C21 | C22 | H22 | 89.5° | 112.7° |
| C47 | C21 | C22 | H23 | 32.2° | 8.5° |
| C47 | C21 | C29 | H26 | 35.4° | 8.4° |
| C47 | C21 | C29 | H27 | 86.5° | 112.8° |
| C21 | C47 | N49 | H39 | 179.5° | 177.2° |
| N17 | C18 | C19 | C21 | 178.9° | 178.2° |
| C18 | N17 | C16 | C15 | 0.0° | 0.4° |
| N17 | C18 | C19 | C20 | 1.3° | 1.5° |
| C18 | N17 | C16 | H20 | 180.0° | 180.0° |
| N17 | C18 | N49 | H39 | 0.1° | 1.2° |
| C16 | N17 | C18 | C19 | 0.6° | 1.0° |
| N17 | C16 | C15 | H20 | 180.0° | 179.7° |
| N17 | C16 | C15 | C20 | 0.1° | 1.2° |
| N17 | C16 | C15 | C14 | 179.8° | 178.5° |
| C18 | C19 | C21 | C22 | 120.5° | 126.0° |
| C18 | C19 | C21 | C20 | 177.0° | 179.6° |
| C18 | C19 | C21 | C29 | 124.9° | 115.9° |
| C18 | C19 | C20 | C15 | 1.4° | 0.6° |
| C18 | C19 | C20 | H21 | 178.6° | 179.5° |
| C19 | C18 | N49 | H39 | 179.1° | 180.0° |
| C22 | C21 | C19 | C29 | 114.6° | 118.1° |
| C21 | C22 | C23 | H22 | 119.1° | 119.3° |
| C21 | C22 | C23 | H23 | 119.1° | 119.5° |
| C22 | C21 | C19 | C20 | 56.4° | 54.4° |
| C22 | C21 | C29 | C28 | 34.1° | 6.8° |
| C21 | C22 | C23 | C28 | 22.2° | 5.8° |
| C21 | C22 | C23 | C24 | 158.1° | 173.8° |
| C21 | C22 | H22 | H23 | 122.5° | 121.3° |
| C22 | C21 | C29 | H26 | 85.0° | 112.6° |
| C22 | C21 | C29 | H27 | 153.2° | 126.2° |
| C19 | C21 | C22 | C23 | 89.7° | 114.5° |
| C19 | C21 | C29 | C28 | 83.3° | 115.9° |
| C21 | C19 | C20 | C15 | 178.1° | 178.9° |
| C21 | C19 | C20 | H21 | 1.9° | 0.9° |
| C19 | C21 | C22 | H22 | 29.5° | 4.8° |
| C19 | C21 | C22 | H23 | 151.2° | 126.0° |
| C19 | C21 | C29 | H26 | 157.7° | 124.6° |
| C19 | C21 | C29 | H27 | 35.8° | 3.5° |
| C29 | C21 | C22 | C23 | 34.6° | 7.6° |
| C29 | C21 | C19 | C20 | 58.2° | 63.7° |
| C21 | C29 | C28 | H26 | 119.1° | 119.4° |
| C21 | C29 | C28 | H27 | 119.1° | 119.4° |
| C21 | C29 | C28 | C23 | 21.5° | 3.6° |
| C21 | C29 | C28 | N27 | 158.1° | 175.9° |
| C29 | C21 | C22 | H22 | 153.7° | 126.8° |
| C29 | C21 | C22 | H23 | 84.6° | 112.0° |
| C21 | C29 | H26 | H27 | 122.7° | 121.1° |
| C22 | C23 | C28 | C29 | 0.5° | 1.4° |
| C22 | C23 | C28 | C24 | 179.7° | 179.6° |
| C22 | C23 | C28 | N27 | 179.9° | 179.1° |
| C22 | C23 | C24 | C25 | 179.6° | 179.8° |
| C23 | C22 | H22 | H23 | 122.5° | 121.2° |
| C22 | C23 | C24 | H24 | 0.4° | 0.2° |
| C16 | C15 | C20 | C19 | 0.8° | 0.7° |
| C16 | C15 | C20 | C14 | 179.7° | 179.7° |
| C16 | C15 | C14 | C13 | 151.9° | 176.4° |
| C16 | C15 | C14 | H19 | 28.0° | 3.5° |
| C16 | C15 | C20 | H21 | 179.2° | 179.2° |
| C19 | C20 | C15 | H21 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 179.5° | 179.1° |
| C29 | C28 | C23 | N27 | 179.6° | 179.5° |
| C29 | C28 | C23 | C24 | 179.8° | 178.3° |
| C29 | C28 | N27 | C26 | 179.4° | 178.6° |
| C28 | C29 | H26 | H27 | 122.7° | 121.1° |
| C20 | C15 | C14 | C13 | 28.4° | 3.4° |
| C20 | C15 | C14 | H19 | 151.7° | 176.7° |
| C20 | C15 | C16 | H20 | 179.9° | 179.1° |
| C15 | C14 | C13 | H19 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.7° | 179.8° |
| C15 | C14 | C13 | H18 | 0.3° | 0.1° |
| C14 | C15 | C16 | H20 | 0.2° | 1.1° |
| C14 | C15 | C20 | H21 | 0.5° | 1.1° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C28 | N27 | C26 | 0.1° | 0.8° |
| C28 | C23 | C22 | H22 | 141.3° | 125.1° |
| C28 | C23 | C22 | H23 | 96.9° | 113.8° |
| C28 | C23 | C24 | H24 | 179.9° | 179.8° |
| C23 | C28 | C29 | H26 | 97.6° | 115.9° |
| C23 | C28 | C29 | H27 | 140.5° | 123.0° |
| C24 | C23 | C28 | N27 | 0.2° | 1.2° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 1.0° |
| C23 | C24 | C25 | C30 | 179.0° | 178.4° |
| C24 | C23 | C22 | H22 | 39.0° | 54.5° |
| C24 | C23 | C22 | H23 | 82.8° | 66.6° |
| C28 | N27 | C26 | C25 | 0.5° | 0.5° |
| C28 | N27 | C26 | H25 | 179.5° | 180.0° |
| N27 | C28 | C29 | H26 | 82.8° | 64.7° |
| N27 | C28 | C29 | H27 | 39.0° | 56.5° |
| C24 | C25 | C26 | N27 | 0.7° | 1.4° |
| C24 | C25 | C26 | C30 | 178.6° | 179.4° |
| C24 | C25 | C30 | N32 | 29.6° | 176.4° |
| C24 | C25 | C30 | O31 | 149.7° | 3.8° |
| C24 | C25 | C26 | H25 | 179.2° | 179.1° |
| C14 | C13 | C12 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | O11 | 63.7° | 147.1° |
| C14 | C13 | C12 | H16 | 176.4° | 92.9° |
| C14 | C13 | C12 | H17 | 56.3° | 27.2° |
| N27 | C26 | C25 | H25 | 180.0° | 179.5° |
| N27 | C26 | C25 | C30 | 179.3° | 178.0° |
| C13 | C12 | O11 | H16 | 120.0° | 119.9° |
| C13 | C12 | O11 | H17 | 120.0° | 119.8° |
| C13 | C12 | O11 | C10 | 174.7° | 121.6° |
| C13 | C12 | H16 | H17 | 120.1° | 120.0° |
| C12 | C13 | C14 | H19 | 0.3° | 0.1° |
| C26 | C25 | C30 | N32 | 151.8° | 3.1° |
| C26 | C25 | C30 | O31 | 28.9° | 176.7° |
| C26 | C25 | C24 | H24 | 179.5° | 178.9° |
| C25 | C30 | N32 | O31 | 179.3° | 179.8° |
| C25 | C30 | N32 | C33 | 179.9° | 171.6° |
| C30 | C25 | C24 | H24 | 1.0° | 1.6° |
| C30 | C25 | C26 | H25 | 0.7° | 1.5° |
| C25 | C30 | N32 | H37 | 0.1° | 8.7° |
| C30 | N32 | C33 | H37 | 180.0° | 179.7° |
| C30 | N32 | C33 | C34 | 163.0° | 49.8° |
| C30 | N32 | C33 | C45 | 75.0° | 81.8° |
| C30 | N32 | C33 | H28 | 44.5° | 164.6° |
| C33 | N32 | C30 | O31 | 0.8° | 8.6° |
| N32 | C33 | C34 | C45 | 121.0° | 129.6° |
| N32 | C33 | C34 | H28 | 119.1° | 114.7° |
| N32 | C33 | C34 | C35 | 165.4° | 56.9° |
| N32 | C33 | C45 | O46 | 36.5° | 89.1° |
| N32 | C33 | C45 | H28 | 120.2° | 113.5° |
| N32 | C33 | C45 | N02 | 142.9° | 90.5° |
| N32 | C33 | C34 | H29 | 74.7° | 176.9° |
| N32 | C33 | C34 | H30 | 45.6° | 63.1° |
| C12 | O11 | C10 | C09 | 155.0° | 179.0° |
| C12 | O11 | C10 | H14 | 35.3° | 60.9° |
| C12 | O11 | C10 | H15 | 85.2° | 59.0° |
| O11 | C12 | H16 | H17 | 120.1° | 120.3° |
| O11 | C12 | C13 | H18 | 116.3° | 32.9° |
| O11 | C10 | C09 | H14 | 119.7° | 120.2° |
| O11 | C10 | C09 | H15 | 119.7° | 120.0° |
| O11 | C10 | C09 | O08 | 78.5° | 126.7° |
| O11 | C10 | C09 | H12 | 161.7° | 113.4° |
| O11 | C10 | C09 | H13 | 41.3° | 6.6° |
| O11 | C10 | H14 | H15 | 120.8° | 119.9° |
| C10 | O11 | C12 | H16 | 54.8° | 1.7° |
| C10 | O11 | C12 | H17 | 65.3° | 118.6° |
| O31 | C30 | N32 | H37 | 179.2° | 171.1° |
| C33 | C34 | C35 | H29 | 119.9° | 120.0° |
| C33 | C34 | C35 | H30 | 119.9° | 120.0° |
| C34 | C33 | C45 | O46 | 83.3° | 139.9° |
| C34 | C33 | C45 | H28 | 120.0° | 115.6° |
| C34 | C33 | C45 | N02 | 97.3° | 40.4° |
| C33 | C34 | C35 | C43 | 111.3° | 90.0° |
| C33 | C34 | C35 | C36 | 68.0° | 89.7° |
| C33 | C34 | H29 | H30 | 120.4° | 120.0° |
| C34 | C33 | N32 | H37 | 17.1° | 129.9° |
| C35 | C34 | C33 | C45 | 73.5° | 173.5° |
| C34 | C35 | C43 | C36 | 179.3° | 179.7° |
| C34 | C35 | C43 | C42 | 179.6° | 179.8° |
| C34 | C35 | C36 | C37 | 178.9° | 180.0° |
| C35 | C34 | C33 | H28 | 46.3° | 57.8° |
| C35 | C34 | H29 | H30 | 120.3° | 120.0° |
| C34 | C35 | C36 | H31 | 1.0° | 0.0° |
| C34 | C35 | C43 | H33 | 0.4° | 0.0° |
| O46 | C45 | C33 | N02 | 179.4° | 179.6° |
| O46 | C45 | N02 | C03 | 0.2° | 5.3° |
| O46 | C45 | N02 | C01 | 179.3° | 174.2° |
| O46 | C45 | C33 | H28 | 156.7° | 24.3° |
| C33 | C45 | N02 | C03 | 179.6° | 175.1° |
| C33 | C45 | N02 | C01 | 0.1° | 5.4° |
| C45 | C33 | C34 | H29 | 46.3° | 53.4° |
| C45 | C33 | C34 | H30 | 166.6° | 66.5° |
| C45 | C33 | N32 | H37 | 105.0° | 98.6° |
| C10 | C09 | O08 | H12 | 119.8° | 119.9° |
| C10 | C09 | O08 | H13 | 119.9° | 120.0° |
| C10 | C09 | O08 | C07 | 173.6° | 174.3° |
| C10 | C09 | H12 | H13 | 120.5° | 120.0° |
| C09 | C10 | H14 | H15 | 120.8° | 119.8° |
| C09 | O08 | C07 | C06 | 159.5° | 176.6° |
| C09 | O08 | C07 | H10 | 80.7° | 63.3° |
| C09 | O08 | C07 | H11 | 39.7° | 56.6° |
| O08 | C09 | H12 | H13 | 120.5° | 120.1° |
| O08 | C09 | C10 | H14 | 41.2° | 113.2° |
| O08 | C09 | C10 | H15 | 161.8° | 6.6° |
| C45 | N02 | C03 | C04 | 53.5° | 86.1° |
| C45 | N02 | C03 | C01 | 179.5° | 179.5° |
| C45 | N02 | C01 | H1 | 180.0° | 54.9° |
| C45 | N02 | C01 | H2 | 60.0° | 174.9° |
| C45 | N02 | C01 | H3 | 60.0° | 65.1° |
| C45 | N02 | C03 | H4 | 67.0° | 34.1° |
| C45 | N02 | C03 | H5 | 174.0° | 154.2° |
| N02 | C45 | C33 | H28 | 22.7° | 156.0° |
| C35 | C43 | C42 | H33 | 180.0° | 179.8° |
| C43 | C35 | C36 | C37 | 0.4° | 0.2° |
| C35 | C43 | C42 | C41 | 179.5° | 179.8° |
| C35 | C43 | C42 | C38 | 0.5° | 0.5° |
| C43 | C35 | C34 | H29 | 8.6° | 30.0° |
| C43 | C35 | C34 | H30 | 128.8° | 150.0° |
| C43 | C35 | C36 | H31 | 179.7° | 179.8° |
| C36 | C35 | C43 | C42 | 0.3° | 0.5° |
| C35 | C36 | C37 | H31 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.8° | 0.1° |
| C35 | C36 | C37 | C44 | 179.9° | 179.9° |
| C36 | C35 | C34 | H29 | 172.1° | 150.3° |
| C36 | C35 | C34 | H30 | 51.9° | 30.3° |
| C36 | C35 | C43 | H33 | 179.7° | 179.7° |
| O08 | C07 | C06 | H10 | 119.8° | 120.1° |
| O08 | C07 | C06 | H11 | 119.8° | 120.0° |
| O08 | C07 | C06 | O05 | 178.3° | 133.2° |
| O08 | C07 | C06 | H8 | 61.8° | 13.2° |
| O08 | C07 | C06 | H9 | 58.5° | 106.8° |
| O08 | C07 | H10 | H11 | 120.6° | 119.9° |
| C07 | O08 | C09 | H12 | 53.8° | 65.8° |
| C07 | O08 | C09 | H13 | 66.5° | 54.3° |
| C07 | C06 | O05 | H8 | 119.9° | 119.9° |
| C07 | C06 | O05 | H9 | 119.9° | 120.0° |
| C07 | C06 | O05 | C04 | 167.7° | 108.4° |
| C07 | C06 | H8 | H9 | 120.3° | 120.0° |
| C06 | C07 | H10 | H11 | 120.7° | 119.9° |
| C43 | C42 | C41 | C38 | 180.0° | 179.7° |
| C43 | C42 | C41 | N40 | 179.9° | 179.7° |
| C43 | C42 | C38 | C37 | 0.1° | 0.2° |
| C43 | C42 | C38 | N39 | 179.7° | 179.7° |
| C43 | C42 | C41 | H32 | 0.1° | 0.3° |
| C06 | O05 | C04 | C03 | 23.1° | 160.8° |
| C06 | O05 | C04 | H6 | 142.8° | 40.7° |
| C06 | O05 | C04 | H7 | 96.6° | 79.0° |
| O05 | C06 | H8 | H9 | 120.3° | 120.1° |
| O05 | C06 | C07 | H10 | 58.6° | 13.1° |
| O05 | C06 | C07 | H11 | 61.9° | 106.7° |
| O05 | C04 | C03 | H6 | 119.7° | 120.0° |
| O05 | C04 | C03 | H7 | 119.7° | 120.0° |
| O05 | C04 | C03 | N02 | 127.5° | 154.5° |
| O05 | C04 | C03 | H4 | 7.0° | 85.8° |
| O05 | C04 | C03 | H5 | 112.0° | 35.4° |
| O05 | C04 | H6 | H7 | 120.7° | 119.7° |
| C04 | O05 | C06 | H8 | 72.4° | 11.6° |
| C04 | O05 | C06 | H9 | 47.7° | 131.6° |
| C36 | C37 | C38 | C42 | 0.6° | 0.1° |
| C36 | C37 | C38 | C44 | 179.3° | 179.9° |
| C36 | C37 | C38 | N39 | 179.0° | 180.0° |
| C36 | C37 | C44 | H34 | 90.4° | 90.1° |
| C36 | C37 | C44 | H35 | 149.6° | 150.0° |
| C36 | C37 | C44 | H36 | 29.6° | 29.9° |
| C04 | C03 | N02 | H4 | 120.5° | 120.2° |
| C04 | C03 | N02 | H5 | 120.5° | 119.7° |
| C04 | C03 | N02 | C01 | 127.0° | 93.4° |
| C04 | C03 | H4 | H5 | 118.4° | 121.0° |
| C03 | C04 | H6 | H7 | 120.7° | 120.2° |
| C03 | N02 | C01 | H1 | 0.5° | 125.6° |
| C03 | N02 | C01 | H2 | 120.5° | 5.6° |
| C03 | N02 | C01 | H3 | 119.6° | 114.4° |
| N02 | C03 | H4 | H5 | 118.4° | 119.3° |
| N02 | C03 | C04 | H6 | 112.8° | 85.5° |
| N02 | C03 | C04 | H7 | 7.7° | 34.5° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 112.5° | 146.3° |
| C01 | N02 | C03 | H5 | 6.5° | 26.3° |
| C42 | C41 | N40 | H32 | 180.0° | 180.0° |
| C41 | C42 | C38 | C37 | 179.9° | 179.9° |
| C41 | C42 | C38 | N39 | 0.3° | 0.0° |
| C42 | C41 | N40 | N39 | 0.1° | 0.0° |
| C41 | C42 | C43 | H33 | 0.5° | 0.1° |
| C38 | C42 | C41 | N40 | 0.1° | 0.0° |
| C42 | C38 | C37 | N39 | 179.6° | 179.9° |
| C42 | C38 | C37 | C44 | 179.9° | 180.0° |
| C42 | C38 | N39 | N40 | 0.3° | 0.1° |
| C38 | C42 | C41 | H32 | 179.9° | 180.0° |
| C38 | C42 | C43 | H33 | 179.5° | 179.7° |
| C42 | C38 | N39 | H38 | 179.7° | 179.9° |
| C41 | N40 | N39 | C38 | 0.3° | 0.1° |
| C41 | N40 | N39 | H38 | 179.7° | 179.9° |
| C37 | C38 | N39 | N40 | 179.9° | 180.0° |
| C38 | C37 | C36 | H31 | 179.2° | 179.9° |
| C38 | C37 | C44 | H34 | 90.4° | 90.1° |
| C38 | C37 | C44 | H35 | 29.6° | 29.9° |
| C38 | C37 | C44 | H36 | 149.6° | 149.9° |
| C37 | C38 | N39 | H38 | 0.1° | 0.2° |
| C44 | C37 | C38 | N39 | 0.3° | 0.2° |
| C44 | C37 | C36 | H31 | 0.1° | 0.1° |
| C37 | C44 | H34 | H35 | 120.0° | 120.0° |
| C37 | C44 | H34 | H36 | 120.0° | 120.0° |
| C37 | C44 | H35 | H36 | 120.0° | 120.1° |
| C38 | N39 | N40 | H38 | 180.0° | 179.9° |
| N39 | N40 | C41 | H32 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H6 | 126.7° | 34.3° |
| H4 | C03 | C04 | H7 | 112.8° | 154.2° |
| H5 | C03 | C04 | H6 | 7.7° | 155.4° |
| H5 | C03 | C04 | H7 | 128.2° | 84.6° |
| H8 | C06 | C07 | H10 | 178.5° | 106.8° |
| H8 | C06 | C07 | H11 | 58.0° | 133.3° |
| H9 | C06 | C07 | H10 | 61.3° | 133.2° |
| H9 | C06 | C07 | H11 | 178.2° | 13.3° |
| H12 | C09 | C10 | H14 | 78.6° | 6.8° |
| H12 | C09 | C10 | H15 | 42.0° | 126.5° |
| H13 | C09 | C10 | H14 | 161.1° | 126.8° |
| H13 | C09 | C10 | H15 | 78.4° | 113.4° |
| H16 | C12 | C13 | H18 | 3.6° | 87.2° |
| H17 | C12 | C13 | H18 | 123.7° | 152.7° |
| H18 | C13 | C14 | H19 | 179.7° | 180.0° |
| H28 | C33 | C34 | H29 | 166.2° | 62.2° |
| H28 | C33 | C34 | H30 | 73.6° | 177.8° |
| H28 | C33 | N32 | H37 | 135.6° | 15.1° |
| H34 | C44 | H35 | H36 | 120.0° | 120.0° |
