5IW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| O41 | C13 | doub | 1.21Å | 1.19Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C34 | C33 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | N12 | sing | 1.35Å | 1.45Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | N12 | sing | 1.47Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C14 | N19 | sing | 1.46Å | 1.45Å | |
| C31 | C32 | doub | 1.35Å | 1.32Å | |
| C31 | C30 | sing | 1.46Å | 1.52Å | |
| N19 | C20 | sing | 1.35Å | 1.46Å | |
| C33 | C32 | sing | 1.47Å | 1.52Å | |
| C33 | C38 | doub | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.45Å | |
| C06 | C05 | sing | 1.53Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C30 | N29 | sing | 1.35Å | 1.45Å | |
| C30 | O39 | doub | 1.22Å | 1.19Å | |
| N29 | C21 | sing | 1.47Å | 1.44Å | |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C05 | C10 | sing | 1.50Å | 1.57Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | O40 | doub | 1.21Å | 1.18Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C08 | N09 | sing | 1.46Å | 1.53Å | |
| C10 | N09 | sing | 1.33Å | 1.53Å | |
| C10 | O11 | doub | 1.21Å | 1.18Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C02 | H13 | sing | 1.08Å | 1.08Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N19 | H39 | sing | 0.97Å | 1.00Å | |
| N29 | H40 | sing | 0.97Å | 1.00Å | |
| C08 | H41 | sing | 1.09Å | 1.10Å | |
| N09 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | C15 | 112.6° | 109.5° |
| C18 | C16 | C17 | 111.0° | 109.5° |
| C18 | C16 | H24 | 107.2° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.4° |
| C16 | C18 | H26 | 109.5° | 109.4° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| O41 | C13 | C14 | 121.4° | 120.0° |
| O41 | C13 | N12 | 121.5° | 120.0° |
| C16 | C15 | C14 | 110.7° | 109.4° |
| C15 | C16 | C17 | 111.2° | 109.4° |
| C16 | C15 | H2 | 109.2° | 109.5° |
| C16 | C15 | H3 | 109.2° | 109.5° |
| C15 | C16 | H24 | 107.2° | 109.5° |
| C15 | C14 | C13 | 109.7° | 109.5° |
| C15 | C14 | N19 | 110.6° | 109.5° |
| C14 | C15 | H2 | 109.1° | 109.5° |
| C14 | C15 | H3 | 109.2° | 109.5° |
| C15 | C14 | H23 | 108.1° | 109.5° |
| C34 | C35 | C36 | 122.6° | 120.1° |
| C35 | C34 | C33 | 116.8° | 119.8° |
| C35 | C34 | H34 | 121.6° | 120.1° |
| C34 | C35 | H35 | 118.7° | 119.9° |
| C35 | C36 | C37 | 119.4° | 120.4° |
| C36 | C35 | H35 | 118.7° | 119.9° |
| C35 | C36 | H36 | 120.3° | 119.8° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C16 | C17 | H6 | 109.5° | 109.5° |
| C17 | C16 | H24 | 107.3° | 109.4° |
| C03 | C02 | O01 | 126.9° | 120.0° |
| C02 | C03 | N12 | 105.4° | 109.4° |
| C02 | C03 | C04 | 108.7° | 109.5° |
| C03 | C02 | H13 | 116.5° | 120.0° |
| C02 | C03 | H14 | 109.2° | 109.5° |
| O01 | C02 | H13 | 116.6° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.1° |
| C34 | C33 | C38 | 121.2° | 119.7° |
| C33 | C34 | H34 | 121.6° | 120.1° |
| C14 | C13 | N12 | 117.1° | 120.0° |
| C13 | C14 | N19 | 111.2° | 109.4° |
| C13 | C14 | H23 | 108.1° | 109.4° |
| C13 | N12 | C03 | 120.8° | 120.0° |
| C13 | N12 | H1 | 119.6° | 120.0° |
| C36 | C37 | C38 | 118.2° | 120.2° |
| C37 | C36 | H36 | 120.3° | 119.8° |
| C36 | C37 | H37 | 120.9° | 119.9° |
| N12 | C03 | C04 | 113.9° | 109.5° |
| C03 | N12 | H1 | 119.6° | 120.0° |
| N12 | C03 | H14 | 110.4° | 109.4° |
| C03 | C04 | C05 | 113.5° | 109.5° |
| C04 | C03 | H14 | 109.1° | 109.5° |
| C03 | C04 | H15 | 108.4° | 109.5° |
| C03 | C04 | H16 | 108.5° | 109.4° |
| C14 | N19 | C20 | 119.7° | 120.0° |
| N19 | C14 | H23 | 109.0° | 109.5° |
| C14 | N19 | H39 | 120.2° | 120.1° |
| C32 | C31 | C30 | 100.2° | 120.0° |
| C31 | C32 | C33 | 118.4° | 120.0° |
| C32 | C31 | H30 | 129.9° | 120.0° |
| C31 | C32 | H32 | 120.8° | 120.0° |
| C31 | C30 | N29 | 119.8° | 120.0° |
| C31 | C30 | O39 | 119.6° | 120.0° |
| C30 | C31 | H30 | 129.9° | 120.0° |
| N19 | C20 | C21 | 120.0° | 120.0° |
| N19 | C20 | O40 | 120.8° | 120.0° |
| C20 | N19 | H39 | 120.2° | 119.9° |
| C32 | C33 | C38 | 118.5° | 120.2° |
| C33 | C32 | H32 | 120.8° | 120.0° |
| C33 | C38 | C37 | 121.8° | 119.8° |
| C33 | C38 | H38 | 119.1° | 120.1° |
| C38 | C37 | H37 | 120.9° | 119.9° |
| C37 | C38 | H38 | 119.1° | 120.1° |
| C07 | C06 | C05 | 111.7° | 108.4° |
| C06 | C07 | C08 | 112.4° | 108.7° |
| C07 | C06 | H18 | 108.9° | 109.7° |
| C07 | C06 | H19 | 108.9° | 109.7° |
| C06 | C07 | H20 | 108.7° | 109.6° |
| C06 | C07 | H21 | 108.7° | 109.6° |
| C06 | C05 | C04 | 110.3° | 109.4° |
| C06 | C05 | C10 | 114.4° | 109.9° |
| C06 | C05 | H17 | 110.7° | 109.4° |
| C05 | C06 | H18 | 108.9° | 109.7° |
| C05 | C06 | H19 | 108.9° | 109.7° |
| C04 | C05 | C10 | 103.8° | 109.4° |
| C05 | C04 | H15 | 108.5° | 109.5° |
| C05 | C04 | H16 | 108.4° | 109.4° |
| C04 | C05 | H17 | 108.7° | 109.3° |
| N29 | C30 | O39 | 120.5° | 120.0° |
| C30 | N29 | C21 | 116.1° | 120.0° |
| C30 | N29 | H40 | 122.0° | 120.0° |
| N29 | C21 | C20 | 113.7° | 109.5° |
| N29 | C21 | C22 | 104.6° | 109.4° |
| N29 | C21 | H7 | 110.2° | 109.4° |
| C21 | N29 | H40 | 122.0° | 120.0° |
| C07 | C08 | N09 | 116.2° | 110.5° |
| C08 | C07 | H20 | 108.7° | 109.6° |
| C08 | C07 | H21 | 108.8° | 109.6° |
| C07 | C08 | H22 | 107.8° | 109.3° |
| C07 | C08 | H41 | 107.8° | 109.3° |
| C05 | C10 | N09 | 117.0° | 123.5° |
| C05 | C10 | O11 | 119.5° | 118.3° |
| C10 | C05 | H17 | 108.6° | 109.4° |
| C21 | C20 | O40 | 119.2° | 120.0° |
| C20 | C21 | C22 | 109.9° | 109.5° |
| C20 | C21 | H7 | 109.2° | 109.5° |
| C21 | C22 | C23 | 110.1° | 109.5° |
| C22 | C21 | H7 | 109.1° | 109.5° |
| C21 | C22 | H8 | 109.3° | 109.5° |
| C21 | C22 | H9 | 109.4° | 109.4° |
| C08 | N09 | C10 | 117.1° | 124.1° |
| N09 | C08 | H22 | 107.8° | 109.3° |
| N09 | C08 | H41 | 107.8° | 109.3° |
| C08 | N09 | H31 | 121.5° | 117.9° |
| N09 | C10 | O11 | 123.5° | 118.2° |
| C10 | N09 | H31 | 121.4° | 118.0° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C25 | C24 | H10 | 120.2° | 120.0° |
| C24 | C25 | H28 | 119.8° | 120.0° |
| C24 | C23 | C22 | 120.7° | 120.0° |
| C24 | C23 | C28 | 120.1° | 119.9° |
| C23 | C24 | H10 | 120.2° | 120.0° |
| C22 | C23 | C28 | 119.2° | 120.0° |
| C23 | C22 | H8 | 109.3° | 109.5° |
| C23 | C22 | H9 | 109.3° | 109.5° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H11 | 120.0° | 120.0° |
| C26 | C25 | H28 | 119.8° | 120.0° |
| C23 | C28 | C27 | 120.3° | 120.0° |
| C23 | C28 | H12 | 119.9° | 119.9° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C27 | C26 | H11 | 120.0° | 120.0° |
| C26 | C27 | H29 | 120.2° | 120.0° |
| C27 | C28 | H12 | 119.9° | 120.0° |
| C28 | C27 | H29 | 120.1° | 120.0° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.4° | 109.4° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H18 | C06 | H19 | 109.5° | 109.7° |
| H20 | C07 | H21 | 109.4° | 109.7° |
| H22 | C08 | H41 | 109.5° | 109.1° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | C15 | C17 | 125.3° | 120.0° |
| C18 | C16 | C15 | H24 | 117.7° | 120.1° |
| C18 | C16 | C15 | C14 | 179.0° | 65.0° |
| C18 | C16 | C17 | H24 | 116.8° | 120.0° |
| C18 | C16 | C15 | H2 | 60.8° | 175.0° |
| C18 | C16 | C15 | H3 | 58.9° | 55.0° |
| C18 | C16 | C17 | H4 | 180.0° | 60.0° |
| C18 | C16 | C17 | H5 | 60.0° | 60.0° |
| C18 | C16 | C17 | H6 | 60.0° | 180.0° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H27 | 120.0° | 120.0° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| O41 | C13 | C14 | C15 | 65.3° | 120.0° |
| O41 | C13 | C14 | N12 | 179.7° | 180.0° |
| O41 | C13 | N12 | C03 | 1.2° | 0.1° |
| O41 | C13 | C14 | N19 | 57.4° | 0.0° |
| O41 | C13 | N12 | H1 | 178.8° | 179.9° |
| O41 | C13 | C14 | H23 | 177.1° | 120.0° |
| C16 | C15 | C14 | H2 | 120.2° | 120.0° |
| C16 | C15 | C14 | H3 | 120.2° | 120.0° |
| C15 | C16 | C17 | H24 | 117.0° | 120.0° |
| C16 | C15 | C14 | C13 | 175.1° | 175.0° |
| C16 | C15 | C14 | N19 | 61.8° | 65.0° |
| C16 | C15 | H2 | H3 | 119.5° | 120.0° |
| C15 | C16 | C17 | H4 | 53.9° | 60.0° |
| C15 | C16 | C17 | H5 | 173.8° | 180.0° |
| C15 | C16 | C17 | H6 | 66.2° | 60.0° |
| C16 | C15 | C14 | H23 | 57.5° | 55.0° |
| C15 | C16 | C18 | H25 | 180.0° | 60.0° |
| C15 | C16 | C18 | H26 | 60.0° | 60.0° |
| C15 | C16 | C18 | H27 | 60.0° | 180.0° |
| C14 | C15 | C16 | C17 | 55.7° | 175.0° |
| C15 | C14 | C13 | N19 | 122.7° | 120.0° |
| C15 | C14 | C13 | H23 | 117.6° | 120.1° |
| C15 | C14 | C13 | N12 | 115.0° | 60.0° |
| C15 | C14 | N19 | H23 | 118.7° | 120.1° |
| C15 | C14 | N19 | C20 | 170.5° | 85.0° |
| C14 | C15 | H2 | H3 | 119.5° | 120.0° |
| C14 | C15 | C16 | H24 | 61.3° | 55.1° |
| C15 | C14 | N19 | H39 | 9.5° | 95.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C35 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.5° | 0.0° |
| C35 | C34 | C33 | C32 | 179.7° | 180.0° |
| C35 | C34 | C33 | C38 | 0.6° | 0.3° |
| C34 | C35 | C36 | H36 | 179.5° | 179.9° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.8° | 0.3° |
| C36 | C35 | C34 | H34 | 179.7° | 179.9° |
| C35 | C36 | C37 | H37 | 179.2° | 180.0° |
| C17 | C16 | C15 | H2 | 64.5° | 55.0° |
| C17 | C16 | C15 | H3 | 175.8° | 65.0° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H6 | 120.0° | 120.0° |
| C16 | C17 | H5 | H6 | 120.0° | 119.9° |
| C17 | C16 | C18 | H25 | 54.6° | 60.0° |
| C17 | C16 | C18 | H26 | 174.6° | 180.0° |
| C17 | C16 | C18 | H27 | 65.4° | 60.0° |
| C03 | C02 | O01 | H13 | 180.0° | 180.0° |
| C02 | C03 | N12 | C13 | 126.3° | 87.5° |
| C02 | C03 | N12 | C04 | 119.1° | 120.0° |
| C02 | C03 | N12 | H14 | 117.8° | 119.9° |
| C02 | C03 | C04 | H14 | 118.9° | 120.0° |
| C02 | C03 | C04 | C05 | 166.5° | 174.8° |
| C02 | C03 | N12 | H1 | 53.7° | 92.5° |
| C02 | C03 | C04 | H15 | 45.9° | 65.1° |
| C02 | C03 | C04 | H16 | 72.9° | 54.9° |
| O01 | C02 | C03 | N12 | 52.3° | 0.0° |
| O01 | C02 | C03 | C04 | 70.2° | 120.0° |
| O01 | C02 | C03 | H14 | 170.9° | 120.0° |
| C34 | C33 | C32 | C31 | 29.4° | 0.3° |
| C34 | C33 | C32 | C38 | 179.2° | 179.7° |
| C34 | C33 | C38 | C37 | 1.0° | 0.6° |
| C34 | C33 | C32 | H32 | 150.6° | 179.7° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C34 | C33 | C38 | H38 | 179.0° | 179.7° |
| C14 | C13 | N12 | C03 | 179.0° | 180.0° |
| C13 | C14 | N19 | H23 | 119.1° | 119.9° |
| C13 | C14 | N19 | C20 | 67.3° | 155.0° |
| C14 | C13 | N12 | H1 | 1.0° | 0.0° |
| C13 | C14 | C15 | H2 | 54.9° | 65.0° |
| C13 | C14 | C15 | H3 | 64.7° | 55.1° |
| C13 | C14 | N19 | H39 | 112.7° | 25.0° |
| C13 | N12 | C03 | H1 | 180.0° | 180.0° |
| C13 | N12 | C03 | C04 | 114.6° | 152.4° |
| N12 | C13 | C14 | N19 | 122.4° | 180.0° |
| C13 | N12 | C03 | H14 | 8.5° | 32.4° |
| N12 | C13 | C14 | H23 | 2.7° | 60.0° |
| C36 | C37 | C38 | C33 | 1.1° | 0.6° |
| C36 | C37 | C38 | H37 | 180.0° | 179.7° |
| C37 | C36 | C35 | H35 | 179.5° | 180.0° |
| C36 | C37 | C38 | H38 | 178.9° | 179.7° |
| N12 | C03 | C04 | H14 | 123.8° | 120.0° |
| N12 | C03 | C04 | C05 | 49.3° | 65.2° |
| N12 | C03 | C02 | H13 | 127.7° | 179.9° |
| N12 | C03 | C04 | H15 | 71.3° | 54.9° |
| N12 | C03 | C04 | H16 | 169.9° | 174.9° |
| C03 | C04 | C05 | C06 | 71.3° | 64.6° |
| C03 | C04 | C05 | H15 | 120.6° | 120.1° |
| C03 | C04 | C05 | H16 | 120.6° | 120.0° |
| C03 | C04 | C05 | C10 | 165.7° | 175.0° |
| C04 | C03 | N12 | H1 | 65.4° | 27.6° |
| C04 | C03 | C02 | H13 | 109.8° | 60.1° |
| C03 | C04 | H15 | H16 | 118.2° | 120.0° |
| C03 | C04 | C05 | H17 | 50.2° | 55.2° |
| C14 | N19 | C20 | H39 | 180.0° | 180.0° |
| C14 | N19 | C20 | C21 | 179.4° | 180.0° |
| C14 | N19 | C20 | O40 | 0.3° | 0.1° |
| N19 | C14 | C15 | H2 | 178.0° | 55.0° |
| N19 | C14 | C15 | H3 | 58.3° | 175.0° |
| C32 | C31 | C30 | H30 | 180.0° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C38 | 151.4° | 180.0° |
| C32 | C31 | C30 | N29 | 97.0° | 180.0° |
| C32 | C31 | C30 | O39 | 79.1° | 0.1° |
| C30 | C31 | C32 | C33 | 180.0° | 180.0° |
| C31 | C30 | N29 | O39 | 176.1° | 179.9° |
| C31 | C30 | N29 | C21 | 175.8° | 180.0° |
| C30 | C31 | C32 | H32 | 0.0° | 0.1° |
| C31 | C30 | N29 | H40 | 4.2° | 0.0° |
| N19 | C20 | C21 | N29 | 33.6° | 180.0° |
| N19 | C20 | C21 | O40 | 179.7° | 179.9° |
| N19 | C20 | C21 | C22 | 83.2° | 60.0° |
| N19 | C20 | C21 | H7 | 157.1° | 60.1° |
| C20 | N19 | C14 | H23 | 51.8° | 35.1° |
| C32 | C33 | C38 | C37 | 179.8° | 179.7° |
| C33 | C32 | C31 | H30 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 0.3° | 0.1° |
| C32 | C33 | C38 | H38 | 0.2° | 0.0° |
| C33 | C38 | C37 | H38 | 180.0° | 179.7° |
| C38 | C33 | C32 | H32 | 28.6° | 0.0° |
| C38 | C33 | C34 | H34 | 179.4° | 179.8° |
| C33 | C38 | C37 | H37 | 178.9° | 179.7° |
| C38 | C37 | C36 | H36 | 179.1° | 179.7° |
| C07 | C06 | C05 | H18 | 120.3° | 119.8° |
| C07 | C06 | C05 | H19 | 120.3° | 119.7° |
| C07 | C06 | C05 | C04 | 169.4° | 169.1° |
| C06 | C07 | C08 | H20 | 120.4° | 119.8° |
| C06 | C07 | C08 | H21 | 120.4° | 119.8° |
| C07 | C06 | C05 | C10 | 52.9° | 48.9° |
| C06 | C07 | C08 | N09 | 43.2° | 50.8° |
| C07 | C06 | C05 | H17 | 70.2° | 71.2° |
| C07 | C06 | H18 | H19 | 119.0° | 120.5° |
| C06 | C07 | H20 | H21 | 118.7° | 120.4° |
| C06 | C07 | C08 | H22 | 77.8° | 69.5° |
| C06 | C07 | C08 | H41 | 164.2° | 171.1° |
| C06 | C05 | C04 | C10 | 122.9° | 120.5° |
| C06 | C05 | C04 | H17 | 121.6° | 119.7° |
| C05 | C06 | C07 | C08 | 66.4° | 67.6° |
| C06 | C05 | C10 | H17 | 124.2° | 120.1° |
| C06 | C05 | C10 | N09 | 19.1° | 17.6° |
| C06 | C05 | C10 | O11 | 159.0° | 162.7° |
| C06 | C05 | C04 | H15 | 168.1° | 175.4° |
| C06 | C05 | C04 | H16 | 49.3° | 55.4° |
| C05 | C06 | H18 | H19 | 119.0° | 120.5° |
| C05 | C06 | C07 | H20 | 173.2° | 172.7° |
| C05 | C06 | C07 | H21 | 54.1° | 52.3° |
| C04 | C05 | C10 | H17 | 115.6° | 119.8° |
| C04 | C05 | C10 | N09 | 139.4° | 137.7° |
| C04 | C05 | C10 | O11 | 38.7° | 42.5° |
| C05 | C04 | C03 | H14 | 74.5° | 54.8° |
| C05 | C04 | H15 | H16 | 118.1° | 120.0° |
| C04 | C05 | C06 | H18 | 70.2° | 49.3° |
| C04 | C05 | C06 | H19 | 49.1° | 71.2° |
| C30 | N29 | C21 | H40 | 180.0° | 180.0° |
| C30 | N29 | C21 | C20 | 115.5° | 155.0° |
| C30 | N29 | C21 | C22 | 124.6° | 85.0° |
| C30 | N29 | C21 | H7 | 7.4° | 35.0° |
| N29 | C30 | C31 | H30 | 83.0° | 0.1° |
| O39 | C30 | N29 | C21 | 0.3° | 0.1° |
| O39 | C30 | C31 | H30 | 100.9° | 180.0° |
| O39 | C30 | N29 | H40 | 179.7° | 180.0° |
| N29 | C21 | C20 | C22 | 116.8° | 120.0° |
| N29 | C21 | C20 | H7 | 123.5° | 119.9° |
| N29 | C21 | C20 | O40 | 146.7° | 0.0° |
| N29 | C21 | C22 | H7 | 117.9° | 119.9° |
| N29 | C21 | C22 | C23 | 50.9° | 65.0° |
| N29 | C21 | C22 | H8 | 69.2° | 55.0° |
| N29 | C21 | C22 | H9 | 171.0° | 175.0° |
| C07 | C08 | N09 | H22 | 121.0° | 120.3° |
| C07 | C08 | N09 | H41 | 121.0° | 120.3° |
| C07 | C08 | N09 | C10 | 10.0° | 19.1° |
| C08 | C07 | C06 | H18 | 173.3° | 52.2° |
| C08 | C07 | C06 | H19 | 53.9° | 172.7° |
| C08 | C07 | H20 | H21 | 118.7° | 120.4° |
| C07 | C08 | H22 | H41 | 117.0° | 119.5° |
| C07 | C08 | N09 | H31 | 170.0° | 160.6° |
| C05 | C10 | N09 | C08 | 2.0° | 2.2° |
| C05 | C10 | N09 | O11 | 178.0° | 179.7° |
| C10 | C05 | C04 | H15 | 45.1° | 54.9° |
| C10 | C05 | C04 | H16 | 73.7° | 65.1° |
| C10 | C05 | C06 | H18 | 173.3° | 70.9° |
| C10 | C05 | C06 | H19 | 67.4° | 168.6° |
| C05 | C10 | N09 | H31 | 178.0° | 177.5° |
| C20 | C21 | C22 | H7 | 119.7° | 120.1° |
| C20 | C21 | C22 | C23 | 173.3° | 175.0° |
| C20 | C21 | C22 | H8 | 53.2° | 65.0° |
| C20 | C21 | C22 | H9 | 66.6° | 55.0° |
| C21 | C20 | N19 | H39 | 0.5° | 0.0° |
| C20 | C21 | N29 | H40 | 64.5° | 25.0° |
| O40 | C20 | C21 | C22 | 96.5° | 119.9° |
| O40 | C20 | C21 | H7 | 23.2° | 120.0° |
| O40 | C20 | N19 | H39 | 179.8° | 179.9° |
| C21 | C22 | C23 | C24 | 106.5° | 90.0° |
| C21 | C22 | C23 | H8 | 120.1° | 120.1° |
| C21 | C22 | C23 | H9 | 120.1° | 120.0° |
| C21 | C22 | C23 | C28 | 72.8° | 90.0° |
| C21 | C22 | H8 | H9 | 119.7° | 120.0° |
| C22 | C21 | N29 | H40 | 55.4° | 95.0° |
| C08 | N09 | C10 | H31 | 180.0° | 179.7° |
| C08 | N09 | C10 | O11 | 180.0° | 178.0° |
| N09 | C08 | C07 | H20 | 163.7° | 170.6° |
| N09 | C08 | C07 | H21 | 77.2° | 69.0° |
| N09 | C08 | H22 | H41 | 117.0° | 119.5° |
| N09 | C10 | C05 | H17 | 105.1° | 102.5° |
| C10 | N09 | C08 | H22 | 111.0° | 101.2° |
| C10 | N09 | C08 | H41 | 130.9° | 139.4° |
| O11 | C10 | C05 | H17 | 76.8° | 77.2° |
| O11 | C10 | N09 | H31 | 0.0° | 2.3° |
| C25 | C24 | C23 | H10 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 179.8° | 180.0° |
| C24 | C25 | C26 | H28 | 180.0° | 179.9° |
| C25 | C24 | C23 | C28 | 0.5° | 0.1° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C24 | C25 | C26 | H11 | 179.8° | 180.0° |
| C24 | C23 | C22 | C28 | 179.3° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C24 | C23 | C28 | C27 | 0.6° | 0.0° |
| C24 | C23 | C22 | H8 | 13.6° | 30.1° |
| C24 | C23 | C22 | H9 | 133.4° | 150.1° |
| C24 | C23 | C28 | H12 | 179.4° | 180.0° |
| C23 | C24 | C25 | H28 | 179.7° | 180.0° |
| C22 | C23 | C28 | C27 | 179.9° | 180.0° |
| C23 | C22 | C21 | H7 | 67.0° | 54.9° |
| C23 | C22 | H8 | H9 | 119.7° | 120.0° |
| C22 | C23 | C24 | H10 | 0.2° | 0.2° |
| C22 | C23 | C28 | H12 | 0.1° | 0.0° |
| C25 | C26 | C27 | H11 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C26 | C25 | C24 | H10 | 179.7° | 179.7° |
| C25 | C26 | C27 | H29 | 179.8° | 180.0° |
| C23 | C28 | C27 | C26 | 0.4° | 0.0° |
| C23 | C28 | C27 | H12 | 180.0° | 180.0° |
| C28 | C23 | C22 | H8 | 167.1° | 150.0° |
| C28 | C23 | C22 | H9 | 47.3° | 30.0° |
| C28 | C23 | C24 | H10 | 179.5° | 179.8° |
| C23 | C28 | C27 | H29 | 179.6° | 179.9° |
| C26 | C27 | C28 | H29 | 180.0° | 179.9° |
| C26 | C27 | C28 | H12 | 179.6° | 180.0° |
| C27 | C26 | C25 | H28 | 179.8° | 180.0° |
| C28 | C27 | C26 | H11 | 179.7° | 180.0° |
| H1 | N12 | C03 | H14 | 171.5° | 147.6° |
| H2 | C15 | C14 | H23 | 62.7° | 175.0° |
| H2 | C15 | C16 | H24 | 178.5° | 64.9° |
| H3 | C15 | C14 | H23 | 177.6° | 65.0° |
| H3 | C15 | C16 | H24 | 58.8° | 175.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
| H4 | C17 | C16 | H24 | 63.1° | 180.0° |
| H5 | C17 | C16 | H24 | 56.8° | 60.0° |
| H6 | C17 | C16 | H24 | 176.9° | 60.0° |
| H7 | C21 | C22 | H8 | 172.9° | 175.0° |
| H7 | C21 | C22 | H9 | 53.1° | 65.1° |
| H7 | C21 | N29 | H40 | 172.6° | 145.0° |
| H10 | C24 | C25 | H28 | 0.3° | 0.1° |
| H11 | C26 | C25 | H28 | 0.2° | 0.1° |
| H11 | C26 | C27 | H29 | 0.2° | 0.1° |
| H12 | C28 | C27 | H29 | 0.4° | 0.0° |
| H13 | C02 | C03 | H14 | 9.1° | 60.0° |
| H14 | C03 | C04 | H15 | 164.9° | 174.9° |
| H14 | C03 | C04 | H16 | 46.1° | 65.2° |
| H15 | C04 | C05 | H17 | 70.4° | 64.9° |
| H16 | C04 | C05 | H17 | 170.8° | 175.1° |
| H17 | C05 | C06 | H18 | 50.2° | 169.0° |
| H17 | C05 | C06 | H19 | 169.5° | 48.5° |
| H18 | C06 | C07 | H20 | 52.8° | 67.6° |
| H18 | C06 | C07 | H21 | 66.3° | 172.0° |
| H19 | C06 | C07 | H20 | 66.5° | 52.9° |
| H19 | C06 | C07 | H21 | 174.4° | 67.5° |
| H20 | C07 | C08 | H22 | 42.7° | 50.2° |
| H20 | C07 | C08 | H41 | 75.4° | 69.2° |
| H21 | C07 | C08 | H22 | 161.8° | 170.6° |
| H21 | C07 | C08 | H41 | 43.7° | 51.2° |
| H22 | C08 | N09 | H31 | 69.0° | 79.1° |
| H23 | C14 | N19 | H39 | 128.2° | 144.9° |
| H24 | C16 | C18 | H25 | 62.3° | 180.0° |
| H24 | C16 | C18 | H26 | 57.7° | 60.0° |
| H24 | C16 | C18 | H27 | 177.7° | 60.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H30 | C31 | C32 | H32 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.4° | 0.1° |
| H35 | C35 | C36 | H36 | 0.5° | 0.0° |
| H36 | C36 | C37 | H37 | 0.9° | 0.0° |
| H37 | C37 | C38 | H38 | 1.1° | 0.0° |
| H41 | C08 | N09 | H31 | 49.1° | 40.3° |
