A1AZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.47Å | 1.48Å | |
| O21 | C19 | doub | 1.21Å | 1.25Å | |
| C17 | C19 | sing | 1.51Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | O20 | sing | 1.34Å | 1.25Å | |
| N13 | C18 | sing | 1.47Å | 1.52Å | |
| N13 | C12 | sing | 1.47Å | 1.53Å | |
| O34 | C35 | sing | 1.43Å | 1.40Å | |
| O34 | C33 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O10 | sing | 1.43Å | 1.46Å | |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C09 | sing | 1.51Å | 1.59Å | |
| O10 | C09 | sing | 1.43Å | 1.46Å | |
| C09 | C06 | sing | 1.51Å | 1.61Å | |
| C09 | C22 | sing | 1.51Å | 1.56Å | |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.37Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.37Å | |
| C27 | O26 | sing | 1.43Å | 1.40Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| O20 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 111.3° | 109.3° |
| C15 | C16 | C17 | 109.9° | 109.2° |
| C16 | C15 | H15 | 109.0° | 109.5° |
| C16 | C15 | H16 | 109.0° | 109.5° |
| C15 | C16 | H17 | 109.4° | 109.5° |
| C15 | C16 | H18 | 109.4° | 109.5° |
| C15 | C14 | N13 | 111.6° | 109.5° |
| C15 | C14 | H6 | 109.0° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.4° |
| C14 | C15 | H15 | 109.0° | 109.5° |
| C14 | C15 | H16 | 109.0° | 109.5° |
| C16 | C17 | C19 | 106.8° | 109.5° |
| C16 | C17 | C18 | 111.5° | 109.3° |
| C16 | C17 | H1 | 110.4° | 109.5° |
| C17 | C16 | H17 | 109.4° | 109.5° |
| C17 | C16 | H18 | 109.4° | 109.5° |
| C14 | N13 | C18 | 108.9° | 111.2° |
| C14 | N13 | C12 | 109.9° | 111.0° |
| N13 | C14 | H6 | 108.9° | 109.5° |
| N13 | C14 | H7 | 109.0° | 109.4° |
| O21 | C19 | C17 | 116.9° | 120.0° |
| O21 | C19 | O20 | 126.3° | 120.0° |
| C19 | C17 | C18 | 108.1° | 109.5° |
| C17 | C19 | O20 | 116.8° | 120.0° |
| C19 | C17 | H1 | 109.7° | 109.6° |
| C17 | C18 | N13 | 113.3° | 109.5° |
| C18 | C17 | H1 | 110.3° | 109.5° |
| C17 | C18 | H19 | 108.5° | 109.5° |
| C17 | C18 | H20 | 108.5° | 109.5° |
| C19 | O20 | H36 | 109.5° | 117.0° |
| C18 | N13 | C12 | 114.2° | 111.0° |
| N13 | C18 | H19 | 108.5° | 109.4° |
| N13 | C18 | H20 | 108.5° | 109.5° |
| N13 | C12 | C11 | 112.6° | 109.5° |
| N13 | C12 | H4 | 108.7° | 109.5° |
| N13 | C12 | H5 | 108.7° | 109.4° |
| C35 | O34 | C33 | 117.2° | 117.0° |
| O34 | C35 | H30 | 109.5° | 109.4° |
| O34 | C35 | H31 | 109.5° | 109.5° |
| O34 | C35 | H32 | 109.5° | 109.4° |
| O34 | C33 | C32 | 121.1° | 120.1° |
| O34 | C33 | C36 | 118.3° | 120.1° |
| C12 | C11 | O10 | 109.0° | 109.5° |
| C12 | C11 | H2 | 109.6° | 109.5° |
| C12 | C11 | H3 | 109.6° | 109.5° |
| C11 | C12 | H4 | 108.6° | 109.5° |
| C11 | C12 | H5 | 108.7° | 109.5° |
| C32 | C33 | C36 | 120.6° | 119.9° |
| C33 | C32 | C31 | 119.3° | 119.9° |
| C33 | C32 | H29 | 120.4° | 120.0° |
| C33 | C36 | C37 | 119.3° | 119.9° |
| C33 | C36 | H33 | 120.3° | 120.0° |
| C11 | O10 | C09 | 122.3° | 114.0° |
| O10 | C11 | H2 | 109.6° | 109.5° |
| O10 | C11 | H3 | 109.6° | 109.4° |
| C32 | C31 | C30 | 121.8° | 120.1° |
| C32 | C31 | H28 | 119.1° | 119.9° |
| C31 | C32 | H29 | 120.3° | 120.1° |
| C36 | C37 | C30 | 122.1° | 120.1° |
| C37 | C36 | H33 | 120.3° | 120.1° |
| C36 | C37 | H34 | 118.9° | 119.9° |
| C31 | C30 | C37 | 116.8° | 120.1° |
| C31 | C30 | C09 | 123.2° | 119.9° |
| C30 | C31 | H28 | 119.1° | 120.0° |
| C37 | C30 | C09 | 120.0° | 120.0° |
| C30 | C37 | H34 | 119.0° | 120.0° |
| C30 | C09 | O10 | 110.4° | 109.5° |
| C30 | C09 | C06 | 115.1° | 109.4° |
| C30 | C09 | C22 | 111.2° | 109.5° |
| O10 | C09 | C06 | 103.9° | 109.5° |
| O10 | C09 | C22 | 108.2° | 109.5° |
| C06 | C09 | C22 | 107.5° | 109.5° |
| C09 | C06 | C07 | 121.2° | 119.9° |
| C09 | C06 | C05 | 123.6° | 120.0° |
| C09 | C22 | C23 | 121.4° | 120.0° |
| C09 | C22 | C29 | 122.0° | 119.9° |
| C06 | C07 | C08 | 123.3° | 120.1° |
| C07 | C06 | C05 | 115.1° | 120.1° |
| C06 | C07 | H13 | 118.4° | 120.0° |
| C07 | C08 | C03 | 119.6° | 119.9° |
| C08 | C07 | H13 | 118.4° | 119.9° |
| C07 | C08 | H14 | 120.2° | 120.0° |
| C06 | C05 | C04 | 122.6° | 120.1° |
| C06 | C05 | H12 | 118.7° | 119.9° |
| C23 | C22 | C29 | 116.6° | 120.1° |
| C22 | C23 | C24 | 122.1° | 120.1° |
| C22 | C23 | H21 | 119.0° | 120.0° |
| C22 | C29 | C28 | 122.4° | 120.0° |
| C22 | C29 | H27 | 118.9° | 120.0° |
| C08 | C03 | C04 | 120.0° | 119.9° |
| C08 | C03 | O02 | 120.5° | 120.1° |
| C03 | C08 | H14 | 120.2° | 120.1° |
| C23 | C24 | C25 | 119.7° | 119.9° |
| C24 | C23 | H21 | 119.0° | 119.9° |
| C23 | C24 | H22 | 120.1° | 120.0° |
| C05 | C04 | C03 | 119.4° | 120.0° |
| C05 | C04 | H11 | 120.3° | 120.0° |
| C04 | C05 | H12 | 118.7° | 120.0° |
| C01 | O02 | C03 | 116.0° | 117.0° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.4° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| C29 | C28 | C25 | 118.9° | 119.9° |
| C29 | C28 | H26 | 120.5° | 120.1° |
| C28 | C29 | H27 | 118.8° | 119.9° |
| C04 | C03 | O02 | 119.5° | 120.0° |
| C03 | C04 | H11 | 120.3° | 120.0° |
| C24 | C25 | C28 | 120.4° | 119.9° |
| C24 | C25 | O26 | 119.5° | 120.1° |
| C25 | C24 | H22 | 120.2° | 120.1° |
| C28 | C25 | O26 | 120.1° | 120.0° |
| C25 | C28 | H26 | 120.6° | 120.0° |
| C25 | O26 | C27 | 116.4° | 117.0° |
| O26 | C27 | H23 | 109.5° | 109.5° |
| O26 | C27 | H24 | 109.5° | 109.5° |
| O26 | C27 | H25 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H30 | C35 | H31 | 109.5° | 109.5° |
| H30 | C35 | H32 | 109.4° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H15 | 120.3° | 120.0° |
| C16 | C15 | C14 | H16 | 120.3° | 119.9° |
| C15 | C16 | C17 | H17 | 120.1° | 119.9° |
| C15 | C16 | C17 | H18 | 120.1° | 119.9° |
| C16 | C15 | C14 | N13 | 59.9° | 59.1° |
| C15 | C16 | C17 | C19 | 170.2° | 177.6° |
| C15 | C16 | C17 | C18 | 52.3° | 57.6° |
| C15 | C16 | C17 | H1 | 70.6° | 62.3° |
| C16 | C15 | C14 | H6 | 179.8° | 179.2° |
| C16 | C15 | C14 | H7 | 60.4° | 60.8° |
| C16 | C15 | H15 | H16 | 119.2° | 120.1° |
| C15 | C16 | H17 | H18 | 119.8° | 120.1° |
| C14 | C15 | C16 | C17 | 55.5° | 57.6° |
| C15 | C14 | N13 | H6 | 120.3° | 120.1° |
| C15 | C14 | N13 | H7 | 120.3° | 120.0° |
| C15 | C14 | N13 | C18 | 57.8° | 61.7° |
| C15 | C14 | N13 | C12 | 176.4° | 174.2° |
| C15 | C14 | H6 | H7 | 119.0° | 119.9° |
| C14 | C15 | H15 | H16 | 119.2° | 120.1° |
| C14 | C15 | C16 | H17 | 64.5° | 177.6° |
| C14 | C15 | C16 | H18 | 175.6° | 62.3° |
| C16 | C17 | C19 | O21 | 21.6° | 119.8° |
| C16 | C17 | C19 | C18 | 120.1° | 119.8° |
| C16 | C17 | C19 | H1 | 119.6° | 120.1° |
| C16 | C17 | C18 | H1 | 123.0° | 120.0° |
| C16 | C17 | C19 | O20 | 158.8° | 60.3° |
| C16 | C17 | C18 | N13 | 53.5° | 59.2° |
| C17 | C16 | C15 | H15 | 64.7° | 177.6° |
| C17 | C16 | C15 | H16 | 175.8° | 62.3° |
| C17 | C16 | H17 | H18 | 119.8° | 120.2° |
| C16 | C17 | C18 | H19 | 67.1° | 60.8° |
| C16 | C17 | C18 | H20 | 174.1° | 179.2° |
| C14 | N13 | C18 | C17 | 55.4° | 61.7° |
| C14 | N13 | C18 | C12 | 123.3° | 124.1° |
| C14 | N13 | C12 | C11 | 117.3° | 164.7° |
| C14 | N13 | C12 | H4 | 122.3° | 75.3° |
| C14 | N13 | C12 | H5 | 3.2° | 44.7° |
| N13 | C14 | H6 | H7 | 119.0° | 120.0° |
| N13 | C14 | C15 | H15 | 60.4° | 179.1° |
| N13 | C14 | C15 | H16 | 179.8° | 60.7° |
| C14 | N13 | C18 | H19 | 65.2° | 58.3° |
| C14 | N13 | C18 | H20 | 176.0° | 178.2° |
| O21 | C19 | C17 | O20 | 179.6° | 179.9° |
| O21 | C19 | C17 | C18 | 98.5° | 0.0° |
| O21 | C19 | C17 | H1 | 141.2° | 120.1° |
| O21 | C19 | O20 | H36 | 0.0° | 0.0° |
| C19 | C17 | C18 | H1 | 120.0° | 120.1° |
| C19 | C17 | C18 | N13 | 170.6° | 179.1° |
| C19 | C17 | C16 | H17 | 50.1° | 62.5° |
| C19 | C17 | C16 | H18 | 69.7° | 57.6° |
| C19 | C17 | C18 | H19 | 50.0° | 59.1° |
| C19 | C17 | C18 | H20 | 68.8° | 60.9° |
| C17 | C19 | O20 | H36 | 179.6° | 180.0° |
| C18 | C17 | C19 | O20 | 81.1° | 180.0° |
| C17 | C18 | N13 | H19 | 120.6° | 120.0° |
| C17 | C18 | N13 | H20 | 120.6° | 120.1° |
| C17 | C18 | N13 | C12 | 178.7° | 174.2° |
| C18 | C17 | C16 | H17 | 67.7° | 177.6° |
| C18 | C17 | C16 | H18 | 172.4° | 62.3° |
| C17 | C18 | H19 | H20 | 118.2° | 120.0° |
| O20 | C19 | C17 | H1 | 39.2° | 59.9° |
| C18 | N13 | C12 | C11 | 5.4° | 71.0° |
| N13 | C18 | C17 | H1 | 69.5° | 60.8° |
| C18 | N13 | C12 | H4 | 115.0° | 49.0° |
| C18 | N13 | C12 | H5 | 125.9° | 169.0° |
| C18 | N13 | C14 | H6 | 178.2° | 178.2° |
| C18 | N13 | C14 | H7 | 62.5° | 58.2° |
| N13 | C18 | H19 | H20 | 118.2° | 119.9° |
| N13 | C12 | C11 | H4 | 120.5° | 120.0° |
| N13 | C12 | C11 | H5 | 120.5° | 120.0° |
| N13 | C12 | C11 | O10 | 93.0° | 66.1° |
| N13 | C12 | C11 | H2 | 147.1° | 173.9° |
| N13 | C12 | C11 | H3 | 27.0° | 53.8° |
| N13 | C12 | H4 | H5 | 118.6° | 120.0° |
| C12 | N13 | C14 | H6 | 56.1° | 54.1° |
| C12 | N13 | C14 | H7 | 63.2° | 65.9° |
| C12 | N13 | C18 | H19 | 58.1° | 65.8° |
| C12 | N13 | C18 | H20 | 60.7° | 54.1° |
| C35 | O34 | C33 | C32 | 44.7° | 180.0° |
| C35 | O34 | C33 | C36 | 135.6° | 0.1° |
| O34 | C35 | H30 | H31 | 120.0° | 120.0° |
| O34 | C35 | H30 | H32 | 120.0° | 119.9° |
| O34 | C35 | H31 | H32 | 120.0° | 119.9° |
| O34 | C33 | C32 | C36 | 179.8° | 179.9° |
| O34 | C33 | C32 | C31 | 179.9° | 179.9° |
| O34 | C33 | C36 | C37 | 179.9° | 179.8° |
| O34 | C33 | C32 | H29 | 0.1° | 0.0° |
| C33 | O34 | C35 | H30 | 180.0° | 180.0° |
| C33 | O34 | C35 | H31 | 60.0° | 59.9° |
| C33 | O34 | C35 | H32 | 60.0° | 60.0° |
| O34 | C33 | C36 | H33 | 0.1° | 0.1° |
| C12 | C11 | O10 | H2 | 119.9° | 120.0° |
| C12 | C11 | O10 | H3 | 120.0° | 120.0° |
| C12 | C11 | O10 | C09 | 177.0° | 179.2° |
| C12 | C11 | H2 | H3 | 120.2° | 120.0° |
| C11 | C12 | H4 | H5 | 118.5° | 120.0° |
| C33 | C32 | C31 | H29 | 180.0° | 179.9° |
| C32 | C33 | C36 | C37 | 0.1° | 0.3° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H28 | 179.9° | 180.0° |
| C32 | C33 | C36 | H33 | 179.9° | 180.0° |
| C36 | C33 | C32 | C31 | 0.1° | 0.0° |
| C33 | C36 | C37 | H33 | 180.0° | 179.7° |
| C33 | C36 | C37 | C30 | 0.0° | 0.6° |
| C36 | C33 | C32 | H29 | 179.9° | 179.9° |
| C33 | C36 | C37 | H34 | 180.0° | 180.0° |
| C11 | O10 | C09 | C30 | 23.7° | 175.5° |
| C11 | O10 | C09 | C06 | 100.3° | 64.6° |
| C11 | O10 | C09 | C22 | 145.6° | 55.5° |
| O10 | C11 | H2 | H3 | 120.2° | 119.9° |
| O10 | C11 | C12 | H4 | 27.5° | 173.9° |
| O10 | C11 | C12 | H5 | 146.5° | 53.9° |
| C32 | C31 | C30 | H28 | 180.0° | 180.0° |
| C32 | C31 | C30 | C37 | 0.0° | 0.3° |
| C32 | C31 | C30 | C09 | 179.4° | 179.9° |
| C36 | C37 | C30 | C31 | 0.0° | 0.6° |
| C36 | C37 | C30 | H34 | 180.0° | 179.5° |
| C36 | C37 | C30 | C09 | 179.5° | 179.8° |
| C31 | C30 | C37 | C09 | 179.4° | 179.7° |
| C31 | C30 | C09 | O10 | 76.9° | 2.4° |
| C31 | C30 | C09 | C06 | 165.8° | 122.3° |
| C31 | C30 | C09 | C22 | 43.2° | 117.6° |
| C30 | C31 | C32 | H29 | 179.9° | 179.9° |
| C31 | C30 | C37 | H34 | 180.0° | 180.0° |
| C37 | C30 | C09 | O10 | 102.5° | 177.9° |
| C37 | C30 | C09 | C06 | 14.7° | 58.0° |
| C37 | C30 | C09 | C22 | 137.4° | 62.0° |
| C37 | C30 | C31 | H28 | 180.0° | 179.7° |
| C30 | C37 | C36 | H33 | 180.0° | 179.7° |
| C30 | C09 | O10 | C06 | 124.0° | 119.9° |
| C30 | C09 | O10 | C22 | 121.9° | 120.0° |
| C30 | C09 | C06 | C22 | 124.6° | 120.0° |
| C30 | C09 | C06 | C07 | 122.6° | 82.0° |
| C30 | C09 | C06 | C05 | 59.5° | 98.1° |
| C30 | C09 | C22 | C23 | 130.9° | 19.0° |
| C30 | C09 | C22 | C29 | 48.6° | 161.3° |
| C09 | C30 | C31 | H28 | 0.6° | 0.1° |
| C09 | C30 | C37 | H34 | 0.5° | 0.3° |
| O10 | C09 | C06 | C22 | 114.5° | 120.1° |
| O10 | C09 | C06 | C07 | 1.8° | 158.0° |
| O10 | C09 | C06 | C05 | 179.7° | 21.9° |
| O10 | C09 | C22 | C23 | 9.5° | 101.0° |
| O10 | C09 | C22 | C29 | 170.0° | 78.7° |
| C09 | O10 | C11 | H2 | 63.1° | 59.2° |
| C09 | O10 | C11 | H3 | 57.0° | 60.8° |
| C09 | C06 | C07 | C05 | 178.1° | 179.9° |
| C09 | C06 | C07 | C08 | 179.6° | 179.7° |
| C06 | C09 | C22 | C23 | 102.2° | 139.0° |
| C06 | C09 | C22 | C29 | 78.3° | 41.3° |
| C09 | C06 | C05 | C04 | 179.7° | 180.0° |
| C09 | C06 | C05 | H12 | 0.2° | 0.1° |
| C09 | C06 | C07 | H13 | 0.4° | 0.1° |
| C22 | C09 | C06 | C07 | 112.8° | 38.0° |
| C22 | C09 | C06 | C05 | 65.1° | 142.0° |
| C09 | C22 | C23 | C29 | 179.6° | 179.7° |
| C09 | C22 | C23 | C24 | 179.9° | 180.0° |
| C09 | C22 | C29 | C28 | 179.9° | 179.8° |
| C09 | C22 | C23 | H21 | 0.2° | 0.1° |
| C09 | C22 | C29 | H27 | 0.1° | 0.0° |
| C06 | C07 | C08 | H13 | 180.0° | 179.8° |
| C06 | C07 | C08 | C03 | 0.9° | 0.5° |
| C07 | C06 | C05 | C04 | 1.7° | 0.0° |
| C07 | C06 | C05 | H12 | 178.3° | 180.0° |
| C06 | C07 | C08 | H14 | 179.0° | 180.0° |
| C08 | C07 | C06 | C05 | 1.5° | 0.2° |
| C07 | C08 | C03 | H14 | 180.0° | 179.5° |
| C07 | C08 | C03 | C04 | 0.4° | 0.5° |
| C07 | C08 | C03 | O02 | 180.0° | 179.8° |
| C06 | C05 | C04 | H12 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.3° | 0.0° |
| C06 | C05 | C04 | H11 | 178.7° | 180.0° |
| C05 | C06 | C07 | H13 | 178.5° | 179.9° |
| C22 | C23 | C24 | H21 | 180.0° | 180.0° |
| C23 | C22 | C29 | C28 | 0.3° | 0.5° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H22 | 179.7° | 180.0° |
| C23 | C22 | C29 | H27 | 179.7° | 179.7° |
| C29 | C22 | C23 | C24 | 0.3° | 0.2° |
| C22 | C29 | C28 | H27 | 180.0° | 179.8° |
| C22 | C29 | C28 | C25 | 0.3° | 0.5° |
| C29 | C22 | C23 | H21 | 179.7° | 179.8° |
| C22 | C29 | C28 | H26 | 179.7° | 179.8° |
| C08 | C03 | C04 | C05 | 0.6° | 0.3° |
| C08 | C03 | O02 | C01 | 52.3° | 0.3° |
| C08 | C03 | C04 | O02 | 179.5° | 179.7° |
| C08 | C03 | C04 | H11 | 179.4° | 179.7° |
| C03 | C08 | C07 | H13 | 179.1° | 179.6° |
| C23 | C24 | C25 | H22 | 180.0° | 179.9° |
| C23 | C24 | C25 | C28 | 0.2° | 0.1° |
| C23 | C24 | C25 | O26 | 179.9° | 180.0° |
| C05 | C04 | C03 | H11 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 179.9° | 180.0° |
| C01 | O02 | C03 | C04 | 127.2° | 180.0° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C29 | C28 | C25 | C24 | 0.2° | 0.2° |
| C29 | C28 | C25 | H26 | 180.0° | 179.7° |
| C29 | C28 | C25 | O26 | 179.9° | 179.7° |
| C03 | C04 | C05 | H12 | 178.7° | 180.0° |
| C04 | C03 | C08 | H14 | 179.6° | 180.0° |
| C03 | O02 | C01 | H8 | 180.0° | 180.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 60.0° |
| O02 | C03 | C04 | H11 | 0.2° | 0.0° |
| O02 | C03 | C08 | H14 | 0.0° | 0.3° |
| C24 | C25 | C28 | O26 | 179.7° | 179.9° |
| C24 | C25 | O26 | C27 | 112.4° | 180.0° |
| C25 | C24 | C23 | H21 | 179.7° | 179.9° |
| C24 | C25 | C28 | H26 | 179.8° | 179.9° |
| C28 | C25 | O26 | C27 | 67.9° | 0.1° |
| C28 | C25 | C24 | H22 | 179.8° | 180.0° |
| C25 | C28 | C29 | H27 | 179.7° | 179.7° |
| O26 | C25 | C24 | H22 | 0.1° | 0.1° |
| C25 | O26 | C27 | H23 | 180.0° | 180.0° |
| C25 | O26 | C27 | H24 | 60.0° | 60.0° |
| C25 | O26 | C27 | H25 | 60.0° | 59.9° |
| O26 | C25 | C28 | H26 | 0.1° | 0.0° |
| O26 | C27 | H23 | H24 | 120.0° | 120.0° |
| O26 | C27 | H23 | H25 | 120.0° | 120.0° |
| O26 | C27 | H24 | H25 | 120.0° | 120.0° |
| H1 | C17 | C16 | H17 | 169.3° | 57.6° |
| H1 | C17 | C16 | H18 | 49.5° | 177.8° |
| H1 | C17 | C18 | H19 | 170.0° | 179.2° |
| H1 | C17 | C18 | H20 | 51.1° | 59.3° |
| H2 | C11 | C12 | H4 | 92.4° | 53.9° |
| H2 | C11 | C12 | H5 | 26.6° | 66.2° |
| H3 | C11 | C12 | H4 | 147.4° | 66.1° |
| H3 | C11 | C12 | H5 | 93.5° | 173.8° |
| H6 | C14 | C15 | H15 | 59.9° | 60.8° |
| H6 | C14 | C15 | H16 | 59.5° | 59.3° |
| H7 | C14 | C15 | H15 | 179.3° | 59.2° |
| H7 | C14 | C15 | H16 | 59.8° | 179.3° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C04 | C05 | H12 | 1.3° | 0.0° |
| H13 | C07 | C08 | H14 | 1.0° | 0.2° |
| H15 | C15 | C16 | H17 | 175.2° | 62.4° |
| H15 | C15 | C16 | H18 | 55.3° | 57.7° |
| H16 | C15 | C16 | H17 | 55.7° | 57.7° |
| H16 | C15 | C16 | H18 | 64.1° | 177.8° |
| H21 | C23 | C24 | H22 | 0.3° | 0.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H26 | C28 | C29 | H27 | 0.3° | 0.0° |
| H28 | C31 | C32 | H29 | 0.1° | 0.1° |
| H30 | C35 | H31 | H32 | 120.0° | 120.1° |
| H33 | C36 | C37 | H34 | 0.0° | 0.3° |
