A1EGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | N07 | sing | 1.46Å | 1.47Å | |
| N07 | C09 | sing | 1.46Å | 1.47Å | |
| N07 | C02 | sing | 1.40Å | 1.27Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.33Å | |
| C17 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.42Å | Aromatic |
| C16 | S20 | sing | 1.76Å | 1.71Å | Aromatic |
| C18 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| S20 | C19 | sing | 1.76Å | 1.71Å | Aromatic |
| C19 | C21 | sing | 1.46Å | 1.33Å | |
| C21 | C22 | doub | 1.35Å | 1.34Å | |
| C38 | O37 | sing | 1.43Å | 1.41Å | |
| C22 | C23 | sing | 1.47Å | 1.33Å | |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| O37 | C36 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.34Å | Aromatic |
| C35 | O34 | sing | 1.43Å | 1.41Å | |
| C27 | N26 | sing | 1.32Å | 1.35Å | Aromatic |
| N26 | C29 | sing | 1.47Å | 1.50Å | |
| O34 | C33 | sing | 1.43Å | 1.41Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| O31 | C30 | sing | 1.43Å | 1.40Å | |
| O31 | C32 | sing | 1.43Å | 1.41Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C08 | 110.3° | 109.5° |
| O11 | C10 | H16 | 109.3° | 109.5° |
| O11 | C10 | H17 | 109.3° | 109.5° |
| C10 | O11 | H18 | 109.5° | 114.0° |
| C10 | C08 | N07 | 110.8° | 109.5° |
| C10 | C08 | H11 | 109.1° | 109.5° |
| C10 | C08 | H12 | 109.1° | 109.5° |
| C08 | C10 | H16 | 109.2° | 109.4° |
| C08 | C10 | H17 | 109.2° | 109.5° |
| C08 | N07 | C09 | 120.1° | 120.1° |
| C08 | N07 | C02 | 120.8° | 120.0° |
| N07 | C08 | H11 | 109.1° | 109.5° |
| N07 | C08 | H12 | 109.1° | 109.4° |
| C09 | N07 | C02 | 119.1° | 120.0° |
| N07 | C09 | H13 | 109.5° | 109.5° |
| N07 | C09 | H14 | 109.5° | 109.5° |
| N07 | C09 | H15 | 109.5° | 109.5° |
| N07 | C02 | C03 | 118.3° | 119.7° |
| N07 | C02 | C01 | 122.1° | 119.6° |
| C03 | C02 | C01 | 119.6° | 120.7° |
| C02 | C03 | C04 | 121.1° | 119.6° |
| C02 | C03 | H9 | 119.5° | 120.2° |
| C02 | C01 | C06 | 119.9° | 120.9° |
| C02 | C01 | H8 | 120.0° | 119.5° |
| C03 | C04 | C12 | 119.3° | 120.9° |
| C03 | C04 | C05 | 120.4° | 119.3° |
| C04 | C03 | H9 | 119.5° | 120.2° |
| C01 | C06 | C05 | 121.0° | 119.9° |
| C06 | C01 | H8 | 120.1° | 119.6° |
| C01 | C06 | H10 | 119.5° | 120.0° |
| C12 | C04 | C05 | 120.3° | 119.7° |
| C04 | C12 | C13 | 121.0° | 120.0° |
| C04 | C12 | H1 | 119.5° | 120.0° |
| C04 | C05 | C06 | 118.1° | 119.6° |
| C04 | C05 | C15 | 118.5° | 119.5° |
| C06 | C05 | C15 | 123.4° | 120.9° |
| C05 | C06 | H10 | 119.5° | 120.1° |
| C12 | C13 | C14 | 119.5° | 120.8° |
| C13 | C12 | H1 | 119.5° | 120.0° |
| C12 | C13 | H19 | 120.2° | 119.6° |
| C05 | C15 | C14 | 120.1° | 119.4° |
| C05 | C15 | H20 | 120.0° | 120.3° |
| C13 | C14 | C15 | 120.5° | 120.5° |
| C13 | C14 | C16 | 115.6° | 119.8° |
| C14 | C13 | H19 | 120.3° | 119.6° |
| C15 | C14 | C16 | 123.9° | 119.7° |
| C14 | C15 | H20 | 119.9° | 120.3° |
| C14 | C16 | C17 | 125.5° | 125.1° |
| C14 | C16 | S20 | 121.4° | 125.2° |
| C16 | C17 | C18 | 111.4° | 114.7° |
| C17 | C16 | S20 | 113.0° | 109.8° |
| C16 | C17 | H21 | 124.3° | 122.7° |
| C17 | C18 | C19 | 111.9° | 114.7° |
| C17 | C18 | H2 | 124.1° | 122.6° |
| C18 | C17 | H21 | 124.3° | 122.6° |
| C16 | S20 | C19 | 91.1° | 91.2° |
| C18 | C19 | S20 | 112.6° | 109.7° |
| C18 | C19 | C21 | 126.5° | 125.1° |
| C19 | C18 | H2 | 124.1° | 122.7° |
| S20 | C19 | C21 | 120.9° | 125.2° |
| C19 | C21 | C22 | 123.4° | 120.0° |
| C19 | C21 | H3 | 118.3° | 120.0° |
| C21 | C22 | C23 | 117.0° | 120.0° |
| C22 | C21 | H3 | 118.3° | 120.0° |
| C21 | C22 | H22 | 121.5° | 120.0° |
| C38 | O37 | C36 | 107.5° | 114.0° |
| O37 | C38 | H35 | 109.5° | 109.5° |
| O37 | C38 | H36 | 109.4° | 109.5° |
| O37 | C38 | H37 | 109.4° | 109.5° |
| C22 | C23 | C24 | 119.0° | 121.0° |
| C22 | C23 | C28 | 121.1° | 121.0° |
| C23 | C22 | H22 | 121.5° | 120.0° |
| C24 | C23 | C28 | 119.8° | 118.1° |
| C23 | C24 | C25 | 119.5° | 119.0° |
| C23 | C24 | H4 | 120.2° | 120.5° |
| C23 | C28 | C27 | 118.4° | 118.9° |
| C23 | C28 | H5 | 120.8° | 120.5° |
| O37 | C36 | C35 | 110.1° | 109.5° |
| O37 | C36 | H33 | 109.3° | 109.5° |
| O37 | C36 | H34 | 109.3° | 109.5° |
| C24 | C25 | N26 | 119.7° | 120.9° |
| C25 | C24 | H4 | 120.3° | 120.6° |
| C24 | C25 | H23 | 120.2° | 119.5° |
| C36 | C35 | O34 | 109.8° | 109.5° |
| C36 | C35 | H31 | 109.4° | 109.4° |
| C36 | C35 | H32 | 109.4° | 109.5° |
| C35 | C36 | H33 | 109.3° | 109.5° |
| C35 | C36 | H34 | 109.3° | 109.4° |
| C28 | C27 | N26 | 121.0° | 121.0° |
| C27 | C28 | H5 | 120.8° | 120.5° |
| C28 | C27 | H24 | 119.5° | 119.5° |
| C25 | N26 | C27 | 121.6° | 122.1° |
| C25 | N26 | C29 | 117.2° | 119.0° |
| N26 | C25 | H23 | 120.2° | 119.6° |
| C35 | O34 | C33 | 108.4° | 114.0° |
| O34 | C35 | H31 | 109.4° | 109.5° |
| O34 | C35 | H32 | 109.4° | 109.5° |
| C27 | N26 | C29 | 121.2° | 118.9° |
| N26 | C27 | H24 | 119.5° | 119.5° |
| N26 | C29 | C30 | 113.4° | 109.5° |
| N26 | C29 | H25 | 108.5° | 109.4° |
| N26 | C29 | H26 | 108.5° | 109.5° |
| O34 | C33 | C32 | 110.2° | 109.5° |
| O34 | C33 | H29 | 109.3° | 109.5° |
| O34 | C33 | H30 | 109.3° | 109.4° |
| C29 | C30 | O31 | 110.3° | 109.5° |
| C29 | C30 | H6 | 109.3° | 109.5° |
| C29 | C30 | H7 | 109.3° | 109.5° |
| C30 | C29 | H25 | 108.5° | 109.5° |
| C30 | C29 | H26 | 108.5° | 109.5° |
| C33 | C32 | O31 | 110.2° | 109.5° |
| C33 | C32 | H27 | 109.3° | 109.5° |
| C33 | C32 | H28 | 109.3° | 109.5° |
| C32 | C33 | H29 | 109.3° | 109.5° |
| C32 | C33 | H30 | 109.3° | 109.4° |
| C30 | O31 | C32 | 108.2° | 114.0° |
| O31 | C30 | H6 | 109.3° | 109.5° |
| O31 | C30 | H7 | 109.3° | 109.5° |
| O31 | C32 | H27 | 109.3° | 109.5° |
| O31 | C32 | H28 | 109.3° | 109.5° |
| H6 | C30 | H7 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.5° | 109.4° |
| H13 | C09 | H15 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H35 | C38 | H36 | 109.5° | 109.4° |
| H35 | C38 | H37 | 109.5° | 109.4° |
| H36 | C38 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C08 | H16 | 120.1° | 120.0° |
| O11 | C10 | C08 | H17 | 120.1° | 120.0° |
| O11 | C10 | C08 | N07 | 176.8° | 65.0° |
| O11 | C10 | C08 | H11 | 63.1° | 55.0° |
| O11 | C10 | C08 | H12 | 56.5° | 175.0° |
| O11 | C10 | H16 | H17 | 119.7° | 120.0° |
| C10 | C08 | N07 | H11 | 120.2° | 120.1° |
| C10 | C08 | N07 | H12 | 120.2° | 120.0° |
| C10 | C08 | N07 | C09 | 128.1° | 90.0° |
| C10 | C08 | N07 | C02 | 53.3° | 90.0° |
| C10 | C08 | H11 | H12 | 119.4° | 120.0° |
| C08 | C10 | H16 | H17 | 119.6° | 120.0° |
| C08 | C10 | O11 | H18 | 180.0° | 180.0° |
| C08 | N07 | C09 | C02 | 178.6° | 180.0° |
| C08 | N07 | C02 | C03 | 64.9° | 180.0° |
| C08 | N07 | C02 | C01 | 115.2° | 0.1° |
| N07 | C08 | H11 | H12 | 119.4° | 119.9° |
| C08 | N07 | C09 | H13 | 180.0° | 89.9° |
| C08 | N07 | C09 | H14 | 60.0° | 30.0° |
| C08 | N07 | C09 | H15 | 60.0° | 150.0° |
| N07 | C08 | C10 | H16 | 56.6° | 175.0° |
| N07 | C08 | C10 | H17 | 63.1° | 55.0° |
| C09 | N07 | C02 | C03 | 113.7° | 0.1° |
| C09 | N07 | C02 | C01 | 66.2° | 180.0° |
| C09 | N07 | C08 | H11 | 7.9° | 149.9° |
| C09 | N07 | C08 | H12 | 111.7° | 30.0° |
| N07 | C09 | H13 | H14 | 120.0° | 120.0° |
| N07 | C09 | H13 | H15 | 120.0° | 120.1° |
| N07 | C09 | H14 | H15 | 120.0° | 120.1° |
| N07 | C02 | C03 | C01 | 179.9° | 179.9° |
| N07 | C02 | C03 | C04 | 179.9° | 179.9° |
| N07 | C02 | C01 | C06 | 179.8° | 180.0° |
| N07 | C02 | C01 | H8 | 0.3° | 0.1° |
| N07 | C02 | C03 | H9 | 0.1° | 0.0° |
| C02 | N07 | C08 | H11 | 173.5° | 30.0° |
| C02 | N07 | C08 | H12 | 66.9° | 149.9° |
| C02 | N07 | C09 | H13 | 1.4° | 90.1° |
| C02 | N07 | C09 | H14 | 121.4° | 150.0° |
| C02 | N07 | C09 | H15 | 118.6° | 29.9° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | C12 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C03 | C02 | C01 | H8 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | H8 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | H9 | 180.0° | 179.9° |
| C02 | C01 | C06 | H10 | 179.9° | 179.9° |
| C03 | C04 | C12 | C05 | 179.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C03 | C04 | C12 | C13 | 180.0° | 180.0° |
| C03 | C04 | C05 | C15 | 179.9° | 180.0° |
| C03 | C04 | C12 | H1 | 0.0° | 0.2° |
| C01 | C06 | C05 | C04 | 0.0° | 0.1° |
| C01 | C06 | C05 | H10 | 180.0° | 179.9° |
| C01 | C06 | C05 | C15 | 179.9° | 180.0° |
| C12 | C04 | C05 | C06 | 179.9° | 179.9° |
| C04 | C12 | C13 | H1 | 180.0° | 179.8° |
| C12 | C04 | C05 | C15 | 0.2° | 0.0° |
| C04 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C04 | C03 | H9 | 0.0° | 0.0° |
| C04 | C12 | C13 | H19 | 179.8° | 179.7° |
| C04 | C05 | C06 | C15 | 179.9° | 179.9° |
| C05 | C04 | C12 | C13 | 0.3° | 0.0° |
| C04 | C05 | C15 | C14 | 0.1° | 0.2° |
| C05 | C04 | C12 | H1 | 179.8° | 179.8° |
| C05 | C04 | C03 | H9 | 179.8° | 180.0° |
| C04 | C05 | C06 | H10 | 180.0° | 180.0° |
| C04 | C05 | C15 | H20 | 179.9° | 180.0° |
| C06 | C05 | C15 | C14 | 180.0° | 179.9° |
| C05 | C06 | C01 | H8 | 179.8° | 179.9° |
| C06 | C05 | C15 | H20 | 0.0° | 0.1° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.5° |
| C12 | C13 | C14 | C16 | 180.0° | 179.9° |
| C05 | C15 | C14 | C13 | 0.0° | 0.5° |
| C05 | C15 | C14 | H20 | 180.0° | 179.8° |
| C05 | C15 | C14 | C16 | 179.9° | 179.9° |
| C15 | C05 | C06 | H10 | 0.1° | 0.1° |
| C13 | C14 | C15 | C16 | 179.9° | 179.4° |
| C13 | C14 | C16 | C17 | 116.6° | 0.5° |
| C13 | C14 | C16 | S20 | 60.3° | 180.0° |
| C14 | C13 | C12 | H1 | 179.8° | 180.0° |
| C13 | C14 | C15 | H20 | 180.0° | 179.7° |
| C15 | C14 | C16 | C17 | 63.3° | 179.9° |
| C15 | C14 | C16 | S20 | 119.8° | 0.6° |
| C15 | C14 | C13 | H19 | 179.9° | 179.5° |
| C14 | C16 | C17 | S20 | 177.1° | 179.6° |
| C14 | C16 | C17 | C18 | 178.1° | 179.9° |
| C14 | C16 | S20 | C19 | 178.1° | 180.0° |
| C16 | C14 | C13 | H19 | 0.0° | 0.1° |
| C16 | C14 | C15 | H20 | 0.1° | 0.3° |
| C14 | C16 | C17 | H21 | 1.9° | 0.2° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C17 | C16 | S20 | C19 | 0.9° | 0.4° |
| C16 | C17 | C18 | H2 | 179.4° | 179.7° |
| C18 | C17 | C16 | S20 | 1.0° | 0.3° |
| C17 | C18 | C19 | H2 | 180.0° | 179.8° |
| C17 | C18 | C19 | S20 | 0.1° | 0.3° |
| C17 | C18 | C19 | C21 | 179.9° | 179.8° |
| C16 | S20 | C19 | C18 | 0.5° | 0.3° |
| C16 | S20 | C19 | C21 | 179.4° | 179.7° |
| S20 | C16 | C17 | H21 | 179.0° | 179.7° |
| C18 | C19 | S20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C21 | C22 | 14.6° | 180.0° |
| C18 | C19 | C21 | H3 | 165.4° | 0.1° |
| C19 | C18 | C17 | H21 | 179.4° | 180.0° |
| S20 | C19 | C21 | C22 | 165.5° | 0.1° |
| S20 | C19 | C18 | H2 | 179.9° | 180.0° |
| S20 | C19 | C21 | H3 | 14.6° | 180.0° |
| C19 | C21 | C22 | H3 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 179.5° | 180.0° |
| C21 | C19 | C18 | H2 | 0.1° | 0.0° |
| C19 | C21 | C22 | H22 | 0.5° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 56.4° | 180.0° |
| C21 | C22 | C23 | C28 | 122.8° | 0.4° |
| C38 | O37 | C36 | C35 | 179.5° | 180.0° |
| C38 | O37 | C36 | H33 | 60.4° | 60.0° |
| C38 | O37 | C36 | H34 | 59.4° | 60.0° |
| O37 | C38 | H35 | H36 | 120.0° | 120.0° |
| O37 | C38 | H35 | H37 | 120.0° | 120.0° |
| O37 | C38 | H36 | H37 | 119.9° | 120.1° |
| C22 | C23 | C24 | C28 | 179.2° | 179.6° |
| C22 | C23 | C24 | C25 | 179.4° | 179.7° |
| C22 | C23 | C28 | C27 | 179.4° | 179.7° |
| C23 | C22 | C21 | H3 | 0.6° | 0.1° |
| C22 | C23 | C24 | H4 | 0.6° | 0.4° |
| C22 | C23 | C28 | H5 | 0.6° | 0.3° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C24 | C23 | C28 | C27 | 0.2° | 0.1° |
| C23 | C24 | C25 | N26 | 0.1° | 0.1° |
| C24 | C23 | C28 | H5 | 179.8° | 179.9° |
| C24 | C23 | C22 | H22 | 123.6° | 0.1° |
| C23 | C24 | C25 | H23 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.2° | 0.1° |
| C23 | C28 | C27 | H5 | 180.0° | 180.0° |
| C23 | C28 | C27 | N26 | 0.0° | 0.0° |
| C28 | C23 | C24 | H4 | 179.8° | 180.0° |
| C28 | C23 | C22 | H22 | 57.2° | 179.7° |
| C23 | C28 | C27 | H24 | 180.0° | 180.0° |
| O37 | C36 | C35 | H33 | 120.1° | 120.0° |
| O37 | C36 | C35 | H34 | 120.1° | 120.0° |
| O37 | C36 | C35 | O34 | 110.6° | 65.0° |
| O37 | C36 | C35 | H31 | 129.4° | 55.0° |
| O37 | C36 | C35 | H32 | 9.5° | 175.0° |
| O37 | C36 | H33 | H34 | 119.7° | 120.0° |
| C36 | O37 | C38 | H35 | 180.0° | 60.0° |
| C36 | O37 | C38 | H36 | 60.0° | 60.0° |
| C36 | O37 | C38 | H37 | 60.0° | 180.0° |
| C24 | C25 | N26 | H23 | 180.0° | 180.0° |
| C24 | C25 | N26 | C27 | 0.4° | 0.0° |
| C24 | C25 | N26 | C29 | 179.9° | 180.0° |
| C36 | C35 | O34 | H31 | 120.1° | 119.9° |
| C36 | C35 | O34 | H32 | 120.1° | 120.0° |
| C36 | C35 | O34 | C33 | 175.7° | 179.9° |
| C36 | C35 | H31 | H32 | 119.8° | 120.0° |
| C35 | C36 | H33 | H34 | 119.7° | 120.0° |
| C28 | C27 | N26 | C25 | 0.3° | 0.0° |
| C28 | C27 | N26 | H24 | 180.0° | 180.0° |
| C28 | C27 | N26 | C29 | 179.9° | 180.0° |
| C25 | N26 | C27 | C29 | 179.8° | 180.0° |
| C25 | N26 | C29 | C30 | 164.6° | 90.0° |
| N26 | C25 | C24 | H4 | 179.9° | 180.0° |
| C25 | N26 | C27 | H24 | 179.6° | 180.0° |
| C25 | N26 | C29 | H25 | 74.8° | 30.0° |
| C25 | N26 | C29 | H26 | 44.0° | 149.9° |
| C35 | O34 | C33 | C32 | 155.4° | 180.0° |
| C35 | O34 | C33 | H29 | 84.5° | 60.0° |
| C35 | O34 | C33 | H30 | 35.3° | 60.1° |
| O34 | C35 | H31 | H32 | 119.8° | 120.0° |
| O34 | C35 | C36 | H33 | 9.5° | 175.0° |
| O34 | C35 | C36 | H34 | 129.3° | 55.0° |
| C27 | N26 | C29 | C30 | 15.7° | 90.0° |
| N26 | C27 | C28 | H5 | 180.0° | 180.0° |
| C27 | N26 | C25 | H23 | 179.6° | 180.0° |
| C27 | N26 | C29 | H25 | 104.9° | 150.0° |
| C27 | N26 | C29 | H26 | 136.2° | 30.0° |
| N26 | C29 | C30 | H25 | 120.6° | 120.0° |
| N26 | C29 | C30 | H26 | 120.6° | 120.0° |
| N26 | C29 | C30 | O31 | 101.0° | 180.0° |
| N26 | C29 | C30 | H6 | 19.1° | 60.0° |
| N26 | C29 | C30 | H7 | 138.9° | 60.0° |
| C29 | N26 | C25 | H23 | 0.1° | 0.0° |
| C29 | N26 | C27 | H24 | 0.1° | 0.0° |
| N26 | C29 | H25 | H26 | 118.2° | 119.9° |
| O34 | C33 | C32 | H29 | 120.1° | 120.0° |
| O34 | C33 | C32 | H30 | 120.1° | 119.9° |
| O34 | C33 | C32 | O31 | 15.7° | 65.0° |
| O34 | C33 | C32 | H27 | 135.8° | 55.0° |
| O34 | C33 | C32 | H28 | 104.4° | 175.0° |
| O34 | C33 | H29 | H30 | 119.7° | 120.0° |
| C33 | O34 | C35 | H31 | 55.6° | 60.0° |
| C33 | O34 | C35 | H32 | 64.3° | 60.0° |
| C29 | C30 | O31 | H6 | 120.1° | 120.0° |
| C29 | C30 | O31 | H7 | 120.1° | 120.0° |
| C29 | C30 | O31 | C32 | 173.5° | 180.0° |
| C29 | C30 | H6 | H7 | 119.6° | 120.0° |
| C30 | C29 | H25 | H26 | 118.2° | 120.1° |
| C33 | C32 | O31 | C30 | 112.6° | 180.0° |
| C33 | C32 | O31 | H27 | 120.1° | 120.0° |
| C33 | C32 | O31 | H28 | 120.1° | 120.0° |
| C33 | C32 | H27 | H28 | 119.6° | 120.0° |
| C32 | C33 | H29 | H30 | 119.7° | 120.0° |
| O31 | C30 | H6 | H7 | 119.6° | 120.0° |
| O31 | C30 | C29 | H25 | 138.4° | 60.0° |
| O31 | C30 | C29 | H26 | 19.5° | 60.0° |
| C30 | O31 | C32 | H27 | 127.2° | 60.0° |
| C30 | O31 | C32 | H28 | 7.5° | 60.0° |
| C32 | O31 | C30 | H6 | 53.4° | 60.0° |
| C32 | O31 | C30 | H7 | 66.4° | 60.0° |
| O31 | C32 | H27 | H28 | 119.7° | 120.0° |
| O31 | C32 | C33 | H29 | 104.4° | 175.0° |
| O31 | C32 | C33 | H30 | 135.8° | 55.0° |
| H1 | C12 | C13 | H19 | 0.2° | 0.0° |
| H2 | C18 | C17 | H21 | 0.6° | 0.2° |
| H3 | C21 | C22 | H22 | 179.4° | 180.0° |
| H4 | C24 | C25 | H23 | 0.1° | 0.1° |
| H5 | C28 | C27 | H24 | 0.0° | 0.0° |
| H6 | C30 | C29 | H25 | 101.5° | 60.0° |
| H6 | C30 | C29 | H26 | 139.6° | 180.0° |
| H7 | C30 | C29 | H25 | 18.3° | 180.0° |
| H7 | C30 | C29 | H26 | 100.6° | 60.0° |
| H8 | C01 | C06 | H10 | 0.1° | 0.1° |
| H11 | C08 | C10 | H16 | 176.8° | 65.0° |
| H11 | C08 | C10 | H17 | 57.1° | 175.0° |
| H12 | C08 | C10 | H16 | 63.6° | 55.0° |
| H12 | C08 | C10 | H17 | 176.7° | 65.0° |
| H13 | C09 | H14 | H15 | 120.0° | 120.0° |
| H16 | C10 | O11 | H18 | 59.9° | 60.0° |
| H17 | C10 | O11 | H18 | 59.9° | 60.0° |
| H27 | C32 | C33 | H29 | 15.7° | 65.0° |
| H27 | C32 | C33 | H30 | 104.1° | 175.0° |
| H28 | C32 | C33 | H29 | 135.5° | 55.0° |
| H28 | C32 | C33 | H30 | 15.7° | 65.0° |
| H31 | C35 | C36 | H33 | 110.5° | 65.0° |
| H31 | C35 | C36 | H34 | 9.3° | 175.0° |
| H32 | C35 | C36 | H33 | 129.6° | 55.0° |
| H32 | C35 | C36 | H34 | 110.6° | 65.0° |
| H35 | C38 | H36 | H37 | 120.0° | 119.9° |
