9P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O21 | sing | 1.44Å | 1.41Å | |
| C20 | O19 | sing | 1.44Å | 1.46Å | |
| O21 | C16 | sing | 1.37Å | 1.44Å | |
| O19 | C17 | sing | 1.37Å | 1.44Å | |
| C16 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.49Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.48Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | N11 | sing | 1.47Å | 1.50Å | |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C01 | sing | 1.48Å | 1.47Å | |
| C38 | C43 | doub | 1.40Å | 1.36Å | Aromatic |
| N02 | C01 | doub | 1.31Å | 1.41Å | Aromatic |
| N02 | C03 | sing | 1.35Å | 1.35Å | Aromatic |
| N11 | C22 | sing | 1.47Å | 1.45Å | |
| N11 | C10 | sing | 1.47Å | 1.45Å | |
| C31 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | C23 | sing | 1.38Å | 1.45Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C01 | N05 | sing | 1.36Å | 1.35Å | Aromatic |
| C32 | C03 | sing | 1.48Å | 1.37Å | |
| C32 | C37 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.43Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.40Å | Aromatic |
| N05 | C06 | sing | 1.47Å | 1.41Å | |
| C22 | C23 | sing | 1.51Å | 1.57Å | |
| C04 | C10 | sing | 1.51Å | 1.59Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | O28 | sing | 1.36Å | 1.37Å | |
| C29 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.50Å | Aromatic |
| O28 | C27 | sing | 1.44Å | 1.37Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C25 | O26 | sing | 1.37Å | 1.36Å | |
| C08 | C09 | sing | 1.53Å | 1.57Å | |
| C27 | O26 | sing | 1.44Å | 1.41Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | 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 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| C41 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| C43 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | O19 | 106.1° | 103.8° |
| C20 | O21 | C16 | 106.6° | 105.5° |
| O21 | C20 | H3 | 110.3° | 110.5° |
| O21 | C20 | H4 | 110.3° | 110.6° |
| C20 | O19 | C17 | 106.1° | 105.5° |
| O19 | C20 | H3 | 110.3° | 110.6° |
| O19 | C20 | H4 | 110.3° | 110.6° |
| O21 | C16 | C17 | 110.2° | 108.7° |
| O21 | C16 | C15 | 129.4° | 131.5° |
| O19 | C17 | C16 | 108.4° | 108.6° |
| O19 | C17 | C18 | 131.5° | 131.6° |
| C17 | C16 | C15 | 120.4° | 119.8° |
| C16 | C17 | C18 | 120.2° | 119.8° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C16 | C15 | H1 | 120.1° | 120.0° |
| C17 | C18 | C13 | 119.4° | 120.1° |
| C17 | C18 | H2 | 120.3° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.2° |
| C14 | C15 | H1 | 120.1° | 120.0° |
| C15 | C14 | H19 | 119.9° | 119.9° |
| C18 | C13 | C14 | 120.0° | 120.1° |
| C18 | C13 | C12 | 121.5° | 119.9° |
| C13 | C18 | H2 | 120.3° | 120.0° |
| C14 | C13 | C12 | 118.5° | 120.0° |
| C13 | C14 | H19 | 119.8° | 119.9° |
| C13 | C12 | N11 | 106.3° | 109.5° |
| C13 | C12 | H17 | 110.2° | 109.5° |
| C13 | C12 | H18 | 110.2° | 109.5° |
| C12 | N11 | C22 | 113.4° | 111.0° |
| C12 | N11 | C10 | 112.0° | 111.0° |
| N11 | C12 | H17 | 110.2° | 109.5° |
| N11 | C12 | H18 | 110.3° | 109.5° |
| C39 | C40 | C41 | 119.9° | 120.1° |
| C40 | C39 | C38 | 120.9° | 119.9° |
| C40 | C39 | H32 | 119.5° | 120.1° |
| C39 | C40 | H33 | 120.1° | 120.0° |
| C40 | C41 | C42 | 119.4° | 120.2° |
| C41 | C40 | H33 | 120.1° | 119.9° |
| C40 | C41 | H34 | 120.3° | 119.9° |
| C33 | C34 | C35 | 120.5° | 120.1° |
| C34 | C33 | C32 | 119.7° | 119.9° |
| C34 | C33 | H27 | 120.1° | 120.0° |
| C33 | C34 | H28 | 119.7° | 119.9° |
| C34 | C35 | C36 | 119.9° | 120.2° |
| C35 | C34 | H28 | 119.7° | 119.9° |
| C34 | C35 | H29 | 120.0° | 119.9° |
| C33 | C32 | C03 | 120.6° | 120.2° |
| C33 | C32 | C37 | 119.8° | 119.7° |
| C32 | C33 | H27 | 120.2° | 120.1° |
| C39 | C38 | C01 | 121.3° | 120.2° |
| C39 | C38 | C43 | 119.2° | 119.7° |
| C38 | C39 | H32 | 119.5° | 120.0° |
| C41 | C42 | C43 | 120.3° | 120.2° |
| C42 | C41 | H34 | 120.3° | 119.9° |
| C41 | C42 | H35 | 119.8° | 119.9° |
| C01 | C38 | C43 | 119.5° | 120.1° |
| C38 | C01 | N02 | 124.1° | 125.7° |
| C38 | C01 | N05 | 128.0° | 125.7° |
| C38 | C43 | C42 | 120.3° | 119.8° |
| C38 | C43 | H36 | 119.9° | 120.0° |
| C01 | N02 | C03 | 109.3° | 109.1° |
| N02 | C01 | N05 | 107.9° | 108.6° |
| N02 | C03 | C32 | 125.0° | 125.9° |
| N02 | C03 | C04 | 107.1° | 108.1° |
| C22 | N11 | C10 | 111.9° | 111.0° |
| N11 | C22 | C23 | 107.8° | 109.5° |
| N11 | C22 | H20 | 109.9° | 109.4° |
| N11 | C22 | H21 | 109.9° | 109.4° |
| N11 | C10 | C04 | 109.1° | 109.4° |
| N11 | C10 | H14 | 109.6° | 109.5° |
| N11 | C10 | H15 | 109.6° | 109.5° |
| C30 | C31 | C23 | 120.6° | 120.1° |
| C31 | C30 | C29 | 119.4° | 120.0° |
| C31 | C30 | H25 | 120.3° | 120.0° |
| C30 | C31 | H26 | 119.7° | 119.9° |
| C31 | C23 | C22 | 119.0° | 119.9° |
| C31 | C23 | C24 | 120.0° | 120.2° |
| C23 | C31 | H26 | 119.7° | 120.0° |
| C35 | C36 | C37 | 119.6° | 120.1° |
| C36 | C35 | H29 | 120.1° | 119.9° |
| C35 | C36 | H30 | 120.2° | 119.9° |
| C01 | N05 | C04 | 108.9° | 107.3° |
| C01 | N05 | C06 | 127.0° | 126.4° |
| C03 | C32 | C37 | 119.6° | 120.1° |
| C32 | C03 | C04 | 127.9° | 126.0° |
| C32 | C37 | C36 | 120.5° | 119.9° |
| C32 | C37 | H31 | 119.7° | 120.1° |
| C03 | C04 | N05 | 106.9° | 106.9° |
| C03 | C04 | C10 | 127.2° | 126.5° |
| C43 | C42 | H35 | 119.9° | 119.9° |
| C42 | C43 | H36 | 119.9° | 120.1° |
| C30 | C29 | O28 | 131.2° | 131.5° |
| C30 | C29 | C25 | 120.1° | 119.8° |
| C29 | C30 | H25 | 120.3° | 120.0° |
| C04 | N05 | C06 | 124.1° | 126.4° |
| N05 | C04 | C10 | 125.9° | 126.6° |
| N05 | C06 | C07 | 105.8° | 109.5° |
| N05 | C06 | H5 | 110.4° | 109.4° |
| N05 | C06 | H6 | 110.4° | 109.4° |
| C22 | C23 | C24 | 121.0° | 119.9° |
| C23 | C22 | H20 | 109.9° | 109.5° |
| C23 | C22 | H21 | 109.9° | 109.5° |
| C04 | C10 | H14 | 109.5° | 109.4° |
| C04 | C10 | H15 | 109.6° | 109.4° |
| C06 | C07 | C08 | 115.0° | 109.5° |
| C07 | C06 | H5 | 110.4° | 109.5° |
| C07 | C06 | H6 | 110.4° | 109.5° |
| C06 | C07 | H7 | 108.1° | 109.5° |
| C06 | C07 | H8 | 108.1° | 109.5° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C23 | C24 | H22 | 120.2° | 120.0° |
| C37 | C36 | H30 | 120.2° | 120.0° |
| C36 | C37 | H31 | 119.7° | 120.0° |
| O28 | C29 | C25 | 108.8° | 108.7° |
| C29 | O28 | C27 | 106.3° | 105.5° |
| C29 | C25 | C24 | 120.4° | 119.8° |
| C29 | C25 | O26 | 107.7° | 108.7° |
| C24 | C25 | O26 | 132.0° | 131.5° |
| C25 | C24 | H22 | 120.2° | 120.0° |
| O28 | C27 | O26 | 106.8° | 103.8° |
| O28 | C27 | H23 | 110.1° | 110.6° |
| O28 | C27 | H24 | 110.1° | 110.7° |
| C07 | C08 | C09 | 110.3° | 109.5° |
| C08 | C07 | H7 | 108.1° | 109.4° |
| C08 | C07 | H8 | 108.0° | 109.5° |
| C07 | C08 | H9 | 109.3° | 109.4° |
| C07 | C08 | H10 | 109.2° | 109.5° |
| C25 | O26 | C27 | 106.3° | 105.5° |
| C09 | C08 | H9 | 109.2° | 109.5° |
| C09 | C08 | H10 | 109.3° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.5° |
| C08 | C09 | H12 | 109.5° | 109.5° |
| C08 | C09 | H13 | 109.4° | 109.5° |
| O26 | C27 | H23 | 110.1° | 110.5° |
| O26 | C27 | H24 | 110.1° | 110.6° |
| H3 | C20 | H4 | 109.5° | 110.6° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.4° | 109.5° |
| H11 | C09 | H13 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | O19 | H3 | 119.5° | 118.5° |
| O21 | C20 | O19 | H4 | 119.5° | 118.6° |
| O21 | C20 | O19 | C17 | 15.6° | 27.1° |
| C20 | O21 | C16 | C17 | 10.2° | 17.2° |
| C20 | O21 | C16 | C15 | 170.1° | 162.8° |
| O21 | C20 | H3 | H4 | 121.6° | 122.8° |
| O19 | C20 | O21 | C16 | 15.7° | 27.1° |
| C20 | O19 | C17 | C16 | 9.6° | 17.2° |
| C20 | O19 | C17 | C18 | 170.3° | 162.7° |
| O19 | C20 | H3 | H4 | 121.6° | 122.9° |
| O21 | C16 | C17 | O19 | 0.1° | 0.0° |
| O21 | C16 | C17 | C15 | 179.7° | 180.0° |
| O21 | C16 | C17 | C18 | 179.9° | 180.0° |
| O21 | C16 | C15 | C14 | 179.9° | 180.0° |
| O21 | C16 | C15 | H1 | 0.0° | 0.3° |
| C16 | O21 | C20 | H3 | 103.8° | 91.5° |
| C16 | O21 | C20 | H4 | 135.1° | 145.7° |
| O19 | C17 | C16 | C18 | 179.9° | 180.0° |
| O19 | C17 | C16 | C15 | 179.8° | 180.0° |
| O19 | C17 | C18 | C13 | 179.6° | 180.0° |
| O19 | C17 | C18 | H2 | 0.4° | 0.0° |
| C17 | O19 | C20 | H3 | 103.9° | 91.4° |
| C17 | O19 | C20 | H4 | 135.1° | 145.7° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C17 | C18 | C13 | 0.5° | 0.0° |
| C17 | C16 | C15 | H1 | 179.7° | 179.7° |
| C16 | C17 | C18 | H2 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H19 | 179.4° | 179.8° |
| C17 | C18 | C13 | H2 | 180.0° | 179.9° |
| C17 | C18 | C13 | C14 | 0.8° | 0.1° |
| C17 | C18 | C13 | C12 | 179.1° | 180.0° |
| C15 | C14 | C13 | C18 | 0.9° | 0.1° |
| C15 | C14 | C13 | H19 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 179.2° | 180.0° |
| C18 | C13 | C14 | C12 | 178.3° | 180.0° |
| C18 | C13 | C12 | N11 | 122.0° | 89.0° |
| C18 | C13 | C12 | H17 | 2.5° | 31.0° |
| C18 | C13 | C12 | H18 | 118.5° | 151.0° |
| C18 | C13 | C14 | H19 | 179.2° | 179.7° |
| C14 | C13 | C12 | N11 | 56.3° | 91.0° |
| C13 | C14 | C15 | H1 | 179.4° | 179.8° |
| C14 | C13 | C18 | H2 | 179.2° | 180.0° |
| C14 | C13 | C12 | H17 | 175.8° | 149.0° |
| C14 | C13 | C12 | H18 | 63.2° | 29.0° |
| C13 | C12 | N11 | H17 | 119.5° | 120.0° |
| C13 | C12 | N11 | H18 | 119.5° | 120.0° |
| C13 | C12 | N11 | C22 | 136.9° | 76.5° |
| C13 | C12 | N11 | C10 | 95.2° | 159.6° |
| C12 | C13 | C18 | H2 | 1.0° | 0.0° |
| C13 | C12 | H17 | H18 | 121.4° | 120.0° |
| C12 | C13 | C14 | H19 | 0.8° | 0.2° |
| C12 | N11 | C22 | C10 | 128.0° | 124.0° |
| C12 | N11 | C22 | C23 | 128.9° | 160.7° |
| C12 | N11 | C10 | C04 | 75.0° | 66.1° |
| C12 | N11 | C10 | H14 | 44.9° | 53.9° |
| C12 | N11 | C10 | H15 | 165.1° | 174.0° |
| N11 | C12 | H17 | H18 | 121.5° | 120.0° |
| C12 | N11 | C22 | H20 | 111.4° | 40.7° |
| C12 | N11 | C22 | H21 | 9.1° | 79.2° |
| C39 | C40 | C41 | H33 | 180.0° | 180.0° |
| C40 | C39 | C38 | H32 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.2° | 0.0° |
| C40 | C39 | C38 | C01 | 179.8° | 179.9° |
| C40 | C39 | C38 | C43 | 1.2° | 0.3° |
| C39 | C40 | C41 | H34 | 179.8° | 180.0° |
| C41 | C40 | C39 | C38 | 0.8° | 0.0° |
| C40 | C41 | C42 | H34 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.3° |
| C41 | C40 | C39 | H32 | 179.3° | 179.9° |
| C40 | C41 | C42 | H35 | 179.9° | 180.0° |
| C33 | C34 | C35 | H28 | 180.0° | 179.9° |
| C34 | C33 | C32 | H27 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C33 | C32 | C03 | 179.1° | 180.0° |
| C34 | C33 | C32 | C37 | 1.2° | 0.2° |
| C33 | C34 | C35 | H29 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.5° | 0.1° |
| C34 | C35 | C36 | H29 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.3° |
| C35 | C34 | C33 | H27 | 179.4° | 179.9° |
| C34 | C35 | C36 | H30 | 179.9° | 180.0° |
| C33 | C32 | C03 | N02 | 53.0° | 43.0° |
| C33 | C32 | C03 | C37 | 178.0° | 179.8° |
| C33 | C32 | C03 | C04 | 129.0° | 137.0° |
| C33 | C32 | C37 | C36 | 1.3° | 0.6° |
| C32 | C33 | C34 | H28 | 179.4° | 180.0° |
| C33 | C32 | C37 | H31 | 178.7° | 179.7° |
| C39 | C38 | C01 | C43 | 178.6° | 179.6° |
| C39 | C38 | C01 | N02 | 130.0° | 20.4° |
| C39 | C38 | C01 | N05 | 49.5° | 159.2° |
| C39 | C38 | C43 | C42 | 1.0° | 0.6° |
| C38 | C39 | C40 | H33 | 179.3° | 179.9° |
| C39 | C38 | C43 | H36 | 179.0° | 179.7° |
| C41 | C42 | C43 | C38 | 0.5° | 0.6° |
| C41 | C42 | C43 | H35 | 180.0° | 179.7° |
| C42 | C41 | C40 | H33 | 179.8° | 179.9° |
| C41 | C42 | C43 | H36 | 179.5° | 179.7° |
| C38 | C01 | N02 | N05 | 179.6° | 179.6° |
| C38 | C01 | N02 | C03 | 179.6° | 179.7° |
| C01 | C38 | C43 | C42 | 179.7° | 179.8° |
| C38 | C01 | N05 | C04 | 179.5° | 179.7° |
| C38 | C01 | N05 | C06 | 2.2° | 0.3° |
| C01 | C38 | C39 | H32 | 0.2° | 0.1° |
| C01 | C38 | C43 | H36 | 0.3° | 0.1° |
| C43 | C38 | C01 | N02 | 48.7° | 159.2° |
| C43 | C38 | C01 | N05 | 131.8° | 21.2° |
| C38 | C43 | C42 | H36 | 180.0° | 179.7° |
| C43 | C38 | C39 | H32 | 178.8° | 179.8° |
| C38 | C43 | C42 | H35 | 179.5° | 179.7° |
| C01 | N02 | C03 | C32 | 179.2° | 180.0° |
| C01 | N02 | C03 | C04 | 0.8° | 0.0° |
| N02 | C01 | N05 | C04 | 0.9° | 0.0° |
| N02 | C01 | N05 | C06 | 178.3° | 180.0° |
| C03 | N02 | C01 | N05 | 0.0° | 0.0° |
| N02 | C03 | C32 | C04 | 178.0° | 180.0° |
| N02 | C03 | C32 | C37 | 124.9° | 136.8° |
| N02 | C03 | C04 | N05 | 1.3° | 0.0° |
| N02 | C03 | C04 | C10 | 179.3° | 180.0° |
| N11 | C22 | C23 | C31 | 55.0° | 89.1° |
| N11 | C22 | C23 | H20 | 119.7° | 120.0° |
| N11 | C22 | C23 | H21 | 119.7° | 120.0° |
| C22 | N11 | C10 | C04 | 156.3° | 170.0° |
| N11 | C22 | C23 | C24 | 124.2° | 91.2° |
| C22 | N11 | C10 | H14 | 83.7° | 70.1° |
| C22 | N11 | C10 | H15 | 36.4° | 50.0° |
| C22 | N11 | C12 | H17 | 103.6° | 163.5° |
| C22 | N11 | C12 | H18 | 17.4° | 43.6° |
| N11 | C22 | H20 | H21 | 120.8° | 119.9° |
| N11 | C10 | C04 | C03 | 120.8° | 97.3° |
| N11 | C10 | C04 | N05 | 56.8° | 82.8° |
| C10 | N11 | C22 | C23 | 103.2° | 75.3° |
| N11 | C10 | C04 | H14 | 119.9° | 120.0° |
| N11 | C10 | C04 | H15 | 119.9° | 120.0° |
| N11 | C10 | H14 | H15 | 120.2° | 120.1° |
| C10 | N11 | C12 | H17 | 24.3° | 39.6° |
| C10 | N11 | C12 | H18 | 145.3° | 80.4° |
| C10 | N11 | C22 | H20 | 16.6° | 164.6° |
| C10 | N11 | C22 | H21 | 137.1° | 44.7° |
| C30 | C31 | C23 | H26 | 180.0° | 179.4° |
| C31 | C30 | C29 | H25 | 180.0° | 179.7° |
| C30 | C31 | C23 | C22 | 179.6° | 179.8° |
| C30 | C31 | C23 | C24 | 0.4° | 0.6° |
| C31 | C30 | C29 | O28 | 179.9° | 179.7° |
| C31 | C30 | C29 | C25 | 0.1° | 0.3° |
| C23 | C31 | C30 | C29 | 0.1° | 0.6° |
| C31 | C23 | C22 | C24 | 179.2° | 179.7° |
| C31 | C23 | C24 | C25 | 0.4° | 0.3° |
| C31 | C23 | C22 | H20 | 174.7° | 151.0° |
| C31 | C23 | C22 | H21 | 64.7° | 30.9° |
| C31 | C23 | C24 | H22 | 179.7° | 179.8° |
| C23 | C31 | C30 | H25 | 179.9° | 179.7° |
| C35 | C36 | C37 | C32 | 0.8° | 0.6° |
| C35 | C36 | C37 | H30 | 180.0° | 179.7° |
| C36 | C35 | C34 | H28 | 180.0° | 180.0° |
| C35 | C36 | C37 | H31 | 179.3° | 179.7° |
| C01 | N05 | C04 | C03 | 1.4° | 0.0° |
| C01 | N05 | C04 | C06 | 177.5° | 180.0° |
| C01 | N05 | C04 | C10 | 179.4° | 180.0° |
| C01 | N05 | C06 | C07 | 96.2° | 94.0° |
| C01 | N05 | C06 | H5 | 144.4° | 146.0° |
| C01 | N05 | C06 | H6 | 23.2° | 26.1° |
| C32 | C03 | C04 | N05 | 179.6° | 180.0° |
| C32 | C03 | C04 | C10 | 2.4° | 0.0° |
| C03 | C32 | C37 | C36 | 179.2° | 179.7° |
| C03 | C32 | C33 | H27 | 0.9° | 0.0° |
| C03 | C32 | C37 | H31 | 0.8° | 0.1° |
| C37 | C32 | C03 | C04 | 53.1° | 43.2° |
| C32 | C37 | C36 | H31 | 180.0° | 179.7° |
| C37 | C32 | C33 | H27 | 178.8° | 179.8° |
| C32 | C37 | C36 | H30 | 179.3° | 179.7° |
| C03 | C04 | N05 | C10 | 178.0° | 180.0° |
| C03 | C04 | N05 | C06 | 178.8° | 180.0° |
| C03 | C04 | C10 | H14 | 0.8° | 22.7° |
| C03 | C04 | C10 | H15 | 119.3° | 142.7° |
| C43 | C42 | C41 | H34 | 179.9° | 179.7° |
| C30 | C29 | O28 | C25 | 179.9° | 180.0° |
| C30 | C29 | C25 | C24 | 0.0° | 0.0° |
| C30 | C29 | O28 | C27 | 167.6° | 162.7° |
| C30 | C29 | C25 | O26 | 179.9° | 180.0° |
| C29 | C30 | C31 | H26 | 179.9° | 180.0° |
| C04 | N05 | C06 | C07 | 80.8° | 86.0° |
| C04 | N05 | C06 | H5 | 38.6° | 34.0° |
| C04 | N05 | C06 | H6 | 159.8° | 154.0° |
| N05 | C04 | C10 | H14 | 176.8° | 157.3° |
| N05 | C04 | C10 | H15 | 63.1° | 37.2° |
| C06 | N05 | C04 | C10 | 3.1° | 0.0° |
| N05 | C06 | C07 | H5 | 119.4° | 120.0° |
| N05 | C06 | C07 | H6 | 119.4° | 120.0° |
| N05 | C06 | C07 | C08 | 168.9° | 180.0° |
| N05 | C06 | H5 | H6 | 121.7° | 119.9° |
| N05 | C06 | C07 | H7 | 48.0° | 60.0° |
| N05 | C06 | C07 | H8 | 70.3° | 60.0° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C23 | C22 | H20 | H21 | 120.8° | 120.1° |
| C22 | C23 | C24 | H22 | 0.4° | 0.1° |
| C22 | C23 | C31 | H26 | 0.4° | 0.3° |
| C04 | C10 | H14 | H15 | 120.2° | 120.0° |
| C06 | C07 | C08 | H7 | 120.8° | 120.0° |
| C06 | C07 | C08 | H8 | 120.8° | 120.1° |
| C06 | C07 | C08 | C09 | 177.3° | 180.0° |
| C07 | C06 | H5 | H6 | 121.7° | 120.1° |
| C06 | C07 | H7 | H8 | 117.5° | 120.0° |
| C06 | C07 | C08 | H9 | 62.6° | 60.0° |
| C06 | C07 | C08 | H10 | 57.1° | 60.0° |
| C23 | C24 | C25 | C29 | 0.2° | 0.0° |
| C23 | C24 | C25 | H22 | 180.0° | 180.0° |
| C23 | C24 | C25 | O26 | 179.9° | 180.0° |
| C24 | C23 | C22 | H20 | 4.5° | 28.7° |
| C24 | C23 | C22 | H21 | 116.0° | 148.8° |
| C24 | C23 | C31 | H26 | 179.7° | 180.0° |
| C37 | C36 | C35 | H29 | 179.9° | 179.7° |
| O28 | C29 | C25 | C24 | 179.9° | 180.0° |
| O28 | C29 | C25 | O26 | 0.0° | 0.0° |
| C29 | O28 | C27 | O26 | 19.9° | 27.1° |
| C29 | O28 | C27 | H23 | 99.7° | 91.4° |
| C29 | O28 | C27 | H24 | 139.4° | 145.8° |
| O28 | C29 | C30 | H25 | 0.1° | 0.0° |
| C29 | C25 | C24 | O26 | 179.9° | 180.0° |
| C25 | C29 | O28 | C27 | 12.5° | 17.3° |
| C29 | C25 | O26 | C27 | 12.1° | 17.3° |
| C29 | C25 | C24 | H22 | 179.9° | 180.0° |
| C25 | C29 | C30 | H25 | 179.9° | 180.0° |
| C24 | C25 | O26 | C27 | 167.9° | 162.7° |
| O28 | C27 | O26 | C25 | 20.0° | 27.1° |
| O28 | C27 | O26 | H23 | 119.6° | 118.6° |
| O28 | C27 | O26 | H24 | 119.6° | 118.8° |
| O28 | C27 | H23 | H24 | 121.2° | 122.9° |
| C07 | C08 | C09 | H9 | 120.1° | 120.0° |
| C07 | C08 | C09 | H10 | 120.1° | 120.0° |
| C08 | C07 | C06 | H5 | 71.7° | 60.0° |
| C08 | C07 | C06 | H6 | 49.5° | 60.0° |
| C08 | C07 | H7 | H8 | 117.5° | 120.0° |
| C07 | C08 | H9 | H10 | 119.6° | 120.0° |
| C07 | C08 | C09 | H11 | 180.0° | 60.0° |
| C07 | C08 | C09 | H12 | 60.0° | 60.0° |
| C07 | C08 | C09 | H13 | 60.0° | 180.0° |
| O26 | C25 | C24 | H22 | 0.1° | 0.0° |
| C25 | O26 | C27 | H23 | 99.6° | 91.5° |
| C25 | O26 | C27 | H24 | 139.6° | 145.8° |
| C09 | C08 | C07 | H7 | 56.4° | 60.0° |
| C09 | C08 | C07 | H8 | 61.9° | 59.9° |
| C09 | C08 | H9 | H10 | 119.6° | 120.0° |
| C08 | C09 | H11 | H12 | 120.0° | 120.1° |
| C08 | C09 | H11 | H13 | 120.0° | 120.0° |
| C08 | C09 | H12 | H13 | 120.0° | 120.0° |
| O26 | C27 | H23 | H24 | 121.2° | 122.7° |
| H1 | C15 | C14 | H19 | 0.6° | 0.0° |
| H5 | C06 | C07 | H7 | 167.4° | 180.0° |
| H5 | C06 | C07 | H8 | 49.1° | 60.0° |
| H6 | C06 | C07 | H7 | 71.4° | 59.9° |
| H6 | C06 | C07 | H8 | 170.3° | 179.9° |
| H7 | C07 | C08 | H9 | 176.5° | 180.0° |
| H7 | C07 | C08 | H10 | 63.7° | 60.0° |
| H8 | C07 | C08 | H9 | 58.2° | 60.0° |
| H8 | C07 | C08 | H10 | 178.0° | 180.0° |
| H9 | C08 | C09 | H11 | 59.9° | 180.0° |
| H9 | C08 | C09 | H12 | 179.9° | 60.0° |
| H9 | C08 | C09 | H13 | 60.1° | 60.0° |
| H10 | C08 | C09 | H11 | 59.9° | 60.0° |
| H10 | C08 | C09 | H12 | 60.1° | 180.0° |
| H10 | C08 | C09 | H13 | 179.9° | 60.0° |
| H11 | C09 | H12 | H13 | 120.0° | 120.0° |
| H25 | C30 | C31 | H26 | 0.1° | 0.3° |
| H27 | C33 | C34 | H28 | 0.6° | 0.0° |
| H28 | C34 | C35 | H29 | 0.0° | 0.0° |
| H29 | C35 | C36 | H30 | 0.1° | 0.0° |
| H30 | C36 | C37 | H31 | 0.7° | 0.0° |
| H32 | C39 | C40 | H33 | 0.7° | 0.0° |
| H33 | C40 | C41 | H34 | 0.2° | 0.0° |
| H34 | C41 | C42 | H35 | 0.1° | 0.1° |
| H35 | C42 | C43 | H36 | 0.5° | 0.0° |
