OWG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O11 | sing | 1.43Å | 1.39Å | |
| C09 | O08 | sing | 1.43Å | 1.41Å | |
| O08 | C07 | sing | 1.36Å | 1.40Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C07 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C80 | O79 | sing | 1.43Å | 1.41Å | |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C78 | C72 | doub | 1.38Å | 1.40Å | Aromatic |
| C78 | C84 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.58Å | |
| C13 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| O79 | C84 | sing | 1.36Å | 1.44Å | |
| C72 | C69 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C31 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.57Å | |
| O30 | C16 | doub | 1.21Å | 1.20Å | |
| C32 | N33 | doub | 1.32Å | 1.36Å | Aromatic |
| C32 | C03 | sing | 1.38Å | 1.36Å | Aromatic |
| C84 | C81 | doub | 1.39Å | 1.40Å | Aromatic |
| N33 | C34 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.57Å | |
| C16 | N17 | sing | 1.35Å | 1.47Å | |
| C04 | C03 | sing | 1.51Å | 1.55Å | |
| C03 | C02 | doub | 1.40Å | 1.37Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.45Å | |
| C34 | N36 | doub | 1.32Å | 1.34Å | Aromatic |
| C69 | C20 | sing | 1.51Å | 1.54Å | |
| C69 | C75 | doub | 1.38Å | 1.41Å | Aromatic |
| C81 | C75 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | N17 | sing | 1.47Å | 1.48Å | |
| C20 | C24 | sing | 1.51Å | 1.54Å | |
| N17 | N18 | sing | 1.37Å | 1.42Å | |
| C02 | N36 | sing | 1.33Å | 1.32Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.45Å | |
| N18 | C19 | sing | 1.47Å | 1.43Å | |
| C29 | C24 | doub | 1.38Å | 1.46Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.47Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.39Å | 1.33Å | Aromatic |
| C46 | O45 | sing | 1.43Å | 1.42Å | |
| C28 | O45 | sing | 1.36Å | 1.42Å | |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.32Å | Aromatic |
| C27 | O47 | sing | 1.36Å | 1.43Å | |
| O47 | C48 | sing | 1.43Å | 1.42Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C48 | H24 | sing | 1.09Å | 1.10Å | |
| C48 | H25 | sing | 1.09Å | 1.10Å | |
| C48 | H26 | sing | 1.09Å | 1.10Å | |
| C72 | H27 | sing | 1.08Å | 1.08Å | |
| C75 | H28 | sing | 1.08Å | 1.08Å | |
| C78 | H29 | sing | 1.08Å | 1.08Å | |
| C80 | H30 | sing | 1.09Å | 1.10Å | |
| C80 | H31 | sing | 1.09Å | 1.10Å | |
| C80 | H32 | sing | 1.09Å | 1.10Å | |
| C81 | H33 | sing | 1.08Å | 1.08Å | |
| N01 | H34 | sing | 0.97Å | 1.00Å | |
| N01 | H35 | sing | 0.97Å | 1.00Å | |
| N18 | H36 | sing | 1.01Å | 1.00Å | |
| N35 | H37 | sing | 0.97Å | 1.00Å | |
| N35 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O11 | C10 | 111.5° | 117.0° |
| O11 | C12 | H1 | 109.5° | 109.4° |
| O11 | C12 | H2 | 109.5° | 109.5° |
| O11 | C12 | H3 | 109.5° | 109.5° |
| C09 | O08 | C07 | 112.7° | 117.0° |
| O08 | C09 | H7 | 109.5° | 109.4° |
| O08 | C09 | H8 | 109.5° | 109.4° |
| O08 | C09 | H9 | 109.5° | 109.4° |
| O08 | C07 | C10 | 117.1° | 120.1° |
| O08 | C07 | C06 | 123.1° | 120.1° |
| O11 | C10 | C07 | 119.9° | 120.1° |
| O11 | C10 | C13 | 119.2° | 120.0° |
| C10 | C07 | C06 | 119.7° | 119.9° |
| C07 | C10 | C13 | 120.8° | 119.9° |
| C07 | C06 | C05 | 119.7° | 120.0° |
| C07 | C06 | H6 | 120.1° | 120.0° |
| C10 | C13 | C14 | 118.6° | 120.0° |
| C10 | C13 | C31 | 120.0° | 120.0° |
| C80 | O79 | C84 | 110.7° | 117.0° |
| O79 | C80 | H30 | 109.5° | 109.4° |
| O79 | C80 | H31 | 109.5° | 109.5° |
| O79 | C80 | H32 | 109.5° | 109.4° |
| C06 | C05 | C31 | 120.2° | 120.1° |
| C06 | C05 | C04 | 118.5° | 120.0° |
| C05 | C06 | H6 | 120.1° | 120.0° |
| C72 | C78 | C84 | 120.9° | 119.9° |
| C78 | C72 | C69 | 119.8° | 120.1° |
| C78 | C72 | H27 | 120.1° | 119.9° |
| C72 | C78 | H29 | 119.5° | 120.1° |
| C78 | C84 | O79 | 121.3° | 120.0° |
| C78 | C84 | C81 | 119.0° | 119.9° |
| C84 | C78 | H29 | 119.6° | 120.0° |
| C14 | C13 | C31 | 121.5° | 120.0° |
| C13 | C14 | C15 | 112.4° | 109.4° |
| C13 | C14 | H10 | 108.8° | 109.5° |
| C13 | C14 | H11 | 108.7° | 109.5° |
| C13 | C31 | C05 | 119.5° | 120.2° |
| C13 | C31 | H19 | 120.3° | 119.9° |
| C14 | C15 | C16 | 105.9° | 109.5° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| C15 | C14 | H11 | 108.8° | 109.4° |
| C14 | C15 | H12 | 110.4° | 109.5° |
| C14 | C15 | H13 | 110.4° | 109.4° |
| O79 | C84 | C81 | 119.6° | 120.1° |
| C72 | C69 | C20 | 120.3° | 120.0° |
| C72 | C69 | C75 | 119.6° | 120.1° |
| C69 | C72 | H27 | 120.1° | 119.9° |
| C31 | C05 | C04 | 121.3° | 119.9° |
| C05 | C31 | H19 | 120.3° | 119.9° |
| C05 | C04 | C03 | 113.4° | 109.5° |
| C05 | C04 | H4 | 108.5° | 109.5° |
| C05 | C04 | H5 | 108.5° | 109.4° |
| O30 | C16 | C15 | 120.6° | 120.0° |
| O30 | C16 | N17 | 119.9° | 120.0° |
| N33 | C32 | C03 | 120.6° | 119.3° |
| C32 | N33 | C34 | 119.2° | 120.9° |
| N33 | C32 | H20 | 119.7° | 120.4° |
| C32 | C03 | C04 | 122.8° | 120.8° |
| C32 | C03 | C02 | 118.6° | 118.5° |
| C03 | C32 | H20 | 119.7° | 120.3° |
| C84 | C81 | C75 | 120.3° | 119.9° |
| C84 | C81 | H33 | 119.8° | 120.0° |
| N33 | C34 | N35 | 121.7° | 119.2° |
| N33 | C34 | N36 | 119.7° | 121.6° |
| C15 | C16 | N17 | 119.5° | 120.0° |
| C16 | C15 | H12 | 110.4° | 109.6° |
| C16 | C15 | H13 | 110.3° | 109.4° |
| C16 | N17 | C20 | 114.8° | 121.2° |
| C16 | N17 | N18 | 121.9° | 121.2° |
| C04 | C03 | C02 | 118.6° | 120.8° |
| C03 | C04 | H4 | 108.5° | 109.5° |
| C03 | C04 | H5 | 108.5° | 109.5° |
| C03 | C02 | N36 | 120.1° | 119.0° |
| C03 | C02 | N01 | 120.8° | 120.5° |
| N35 | C34 | N36 | 118.6° | 119.2° |
| C34 | N35 | H37 | 109.5° | 120.0° |
| C34 | N35 | H38 | 109.5° | 120.0° |
| C34 | N36 | C02 | 121.8° | 120.6° |
| C20 | C69 | C75 | 120.1° | 119.9° |
| C69 | C20 | N17 | 114.9° | 109.5° |
| C69 | C20 | C24 | 107.3° | 109.6° |
| C69 | C20 | H16 | 107.6° | 109.7° |
| C69 | C75 | C81 | 120.3° | 120.1° |
| C69 | C75 | H28 | 119.8° | 120.0° |
| C81 | C75 | H28 | 119.8° | 119.9° |
| C75 | C81 | H33 | 119.9° | 120.1° |
| N17 | C20 | C24 | 110.9° | 108.9° |
| C20 | N17 | N18 | 123.2° | 117.6° |
| N17 | C20 | H16 | 108.3° | 109.5° |
| C20 | C24 | C29 | 117.0° | 118.8° |
| C20 | C24 | C25 | 118.1° | 121.0° |
| C24 | C20 | H16 | 107.6° | 109.6° |
| N17 | N18 | C19 | 109.6° | 110.0° |
| N17 | N18 | H36 | 109.4° | 111.1° |
| N36 | C02 | N01 | 119.1° | 120.5° |
| C02 | N01 | H34 | 109.5° | 120.0° |
| C02 | N01 | H35 | 109.4° | 119.9° |
| N18 | C19 | C25 | 126.7° | 110.7° |
| N18 | C19 | H14 | 105.0° | 109.3° |
| N18 | C19 | H15 | 105.0° | 109.2° |
| C19 | N18 | H36 | 109.4° | 111.0° |
| C24 | C29 | C28 | 109.5° | 120.3° |
| C29 | C24 | C25 | 124.9° | 120.2° |
| C24 | C29 | H18 | 125.2° | 119.9° |
| C29 | C28 | O45 | 115.8° | 120.2° |
| C29 | C28 | C27 | 122.0° | 119.6° |
| C28 | C29 | H18 | 125.3° | 119.8° |
| C24 | C25 | C19 | 115.1° | 121.7° |
| C24 | C25 | C26 | 119.5° | 119.7° |
| C19 | C25 | C26 | 125.4° | 118.6° |
| C25 | C19 | H14 | 105.0° | 109.2° |
| C25 | C19 | H15 | 105.0° | 109.2° |
| C25 | C26 | C27 | 121.4° | 120.3° |
| C25 | C26 | H17 | 119.3° | 119.8° |
| C46 | O45 | C28 | 110.4° | 116.9° |
| O45 | C46 | H21 | 109.5° | 109.5° |
| O45 | C46 | H22 | 109.5° | 109.5° |
| O45 | C46 | H23 | 109.5° | 109.5° |
| O45 | C28 | C27 | 122.3° | 120.2° |
| C28 | C27 | C26 | 122.7° | 119.8° |
| C28 | C27 | O47 | 119.9° | 120.1° |
| C26 | C27 | O47 | 117.4° | 120.1° |
| C27 | C26 | H17 | 119.3° | 119.8° |
| C27 | O47 | C48 | 113.8° | 117.0° |
| O47 | C48 | H24 | 109.5° | 109.5° |
| O47 | C48 | H25 | 109.5° | 109.4° |
| O47 | C48 | H26 | 109.5° | 109.4° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H1 | C12 | H3 | 109.4° | 109.5° |
| H2 | C12 | H3 | 109.4° | 109.5° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.4° | 109.5° |
| H7 | C09 | H9 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.6° |
| H10 | C14 | H11 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.2° |
| H21 | C46 | H22 | 109.4° | 109.5° |
| H21 | C46 | H23 | 109.5° | 109.4° |
| H22 | C46 | H23 | 109.5° | 109.5° |
| H24 | C48 | H25 | 109.4° | 109.5° |
| H24 | C48 | H26 | 109.4° | 109.5° |
| H25 | C48 | H26 | 109.5° | 109.5° |
| H30 | C80 | H31 | 109.4° | 109.6° |
| H30 | C80 | H32 | 109.5° | 109.5° |
| H31 | C80 | H32 | 109.5° | 109.5° |
| H34 | N01 | H35 | 109.4° | 120.1° |
| H37 | N35 | H38 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O11 | C10 | C07 | 92.7° | 89.7° |
| C12 | O11 | C10 | C13 | 86.4° | 90.0° |
| O11 | C12 | H1 | H2 | 120.0° | 120.0° |
| O11 | C12 | H1 | H3 | 120.0° | 120.0° |
| O11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C09 | O08 | C07 | C10 | 176.3° | 180.0° |
| C09 | O08 | C07 | C06 | 2.2° | 0.1° |
| O08 | C09 | H7 | H8 | 120.0° | 120.0° |
| O08 | C09 | H7 | H9 | 120.0° | 119.9° |
| O08 | C09 | H8 | H9 | 120.0° | 120.0° |
| O08 | C07 | C10 | O11 | 1.1° | 0.4° |
| O08 | C07 | C10 | C06 | 178.5° | 179.9° |
| O08 | C07 | C10 | C13 | 179.9° | 179.9° |
| O08 | C07 | C06 | C05 | 179.0° | 179.9° |
| O08 | C07 | C06 | H6 | 1.0° | 0.1° |
| C07 | O08 | C09 | H7 | 180.0° | 60.0° |
| C07 | O08 | C09 | H8 | 60.0° | 60.0° |
| C07 | O08 | C09 | H9 | 60.0° | 179.9° |
| O11 | C10 | C07 | C13 | 179.1° | 179.7° |
| O11 | C10 | C07 | C06 | 179.6° | 179.7° |
| O11 | C10 | C13 | C14 | 0.4° | 0.3° |
| O11 | C10 | C13 | C31 | 179.1° | 179.7° |
| C10 | O11 | C12 | H1 | 180.0° | 60.0° |
| C10 | O11 | C12 | H2 | 60.0° | 59.9° |
| C10 | O11 | C12 | H3 | 60.0° | 180.0° |
| C10 | C07 | C06 | C05 | 2.6° | 0.1° |
| C07 | C10 | C13 | C14 | 178.7° | 179.9° |
| C07 | C10 | C13 | C31 | 0.0° | 0.0° |
| C10 | C07 | C06 | H6 | 177.4° | 180.0° |
| C06 | C07 | C10 | C13 | 1.3° | 0.1° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C07 | C06 | C05 | C31 | 2.6° | 0.1° |
| C07 | C06 | C05 | C04 | 179.3° | 180.0° |
| C10 | C13 | C14 | C31 | 178.7° | 180.0° |
| C10 | C13 | C14 | C15 | 108.7° | 85.0° |
| C10 | C13 | C31 | C05 | 0.0° | 0.0° |
| C10 | C13 | C14 | H10 | 11.7° | 155.0° |
| C10 | C13 | C14 | H11 | 130.8° | 34.9° |
| C10 | C13 | C31 | H19 | 180.0° | 180.0° |
| C80 | O79 | C84 | C78 | 12.8° | 180.0° |
| C80 | O79 | C84 | C81 | 168.4° | 0.2° |
| O79 | C80 | H30 | H31 | 120.0° | 120.0° |
| O79 | C80 | H30 | H32 | 120.0° | 119.9° |
| O79 | C80 | H31 | H32 | 120.0° | 119.9° |
| C06 | C05 | C31 | C13 | 1.3° | 0.0° |
| C06 | C05 | C31 | C04 | 178.1° | 180.0° |
| C06 | C05 | C04 | C03 | 120.7° | 90.0° |
| C06 | C05 | C04 | H4 | 0.1° | 150.0° |
| C06 | C05 | C04 | H5 | 118.7° | 30.0° |
| C06 | C05 | C31 | H19 | 178.7° | 180.0° |
| C72 | C78 | C84 | H29 | 180.0° | 179.9° |
| C72 | C78 | C84 | O79 | 179.4° | 180.0° |
| C78 | C72 | C69 | H27 | 180.0° | 180.0° |
| C72 | C78 | C84 | C81 | 0.6° | 0.3° |
| C78 | C72 | C69 | C20 | 179.7° | 180.0° |
| C78 | C72 | C69 | C75 | 0.8° | 0.2° |
| C78 | C84 | O79 | C81 | 178.8° | 179.8° |
| C84 | C78 | C72 | C69 | 0.8° | 0.0° |
| C78 | C84 | C81 | C75 | 0.2° | 0.2° |
| C84 | C78 | C72 | H27 | 179.2° | 180.0° |
| C78 | C84 | C81 | H33 | 179.8° | 179.7° |
| C13 | C14 | C15 | H10 | 120.5° | 120.0° |
| C13 | C14 | C15 | H11 | 120.4° | 120.0° |
| C14 | C13 | C31 | C05 | 178.6° | 180.0° |
| C13 | C14 | C15 | C16 | 169.5° | 180.0° |
| C13 | C14 | H10 | H11 | 118.7° | 120.1° |
| C13 | C14 | C15 | H12 | 71.0° | 59.9° |
| C13 | C14 | C15 | H13 | 50.1° | 60.0° |
| C14 | C13 | C31 | H19 | 1.4° | 0.0° |
| C31 | C13 | C14 | C15 | 72.6° | 95.0° |
| C13 | C31 | C05 | H19 | 180.0° | 180.0° |
| C13 | C31 | C05 | C04 | 179.4° | 180.0° |
| C31 | C13 | C14 | H10 | 167.0° | 24.9° |
| C31 | C13 | C14 | H11 | 47.9° | 145.0° |
| C14 | C15 | C16 | O30 | 72.3° | 0.1° |
| C14 | C15 | C16 | H12 | 119.4° | 120.0° |
| C14 | C15 | C16 | H13 | 119.4° | 119.9° |
| C14 | C15 | C16 | N17 | 108.4° | 180.0° |
| C15 | C14 | H10 | H11 | 118.7° | 120.0° |
| C14 | C15 | H12 | H13 | 121.7° | 119.9° |
| O79 | C84 | C81 | C75 | 179.1° | 180.0° |
| O79 | C84 | C78 | H29 | 0.6° | 0.1° |
| C84 | O79 | C80 | H30 | 180.0° | 60.0° |
| C84 | O79 | C80 | H31 | 60.0° | 179.9° |
| C84 | O79 | C80 | H32 | 60.0° | 60.0° |
| O79 | C84 | C81 | H33 | 0.9° | 0.0° |
| C72 | C69 | C20 | C75 | 178.9° | 179.8° |
| C72 | C69 | C75 | C81 | 0.4° | 0.2° |
| C72 | C69 | C20 | N17 | 97.6° | 117.2° |
| C72 | C69 | C20 | C24 | 138.5° | 123.4° |
| C72 | C69 | C20 | H16 | 23.1° | 3.0° |
| C72 | C69 | C75 | H28 | 179.6° | 179.7° |
| C69 | C72 | C78 | H29 | 179.2° | 179.9° |
| C31 | C05 | C04 | C03 | 61.2° | 90.0° |
| C31 | C05 | C04 | H4 | 178.3° | 30.0° |
| C31 | C05 | C04 | H5 | 59.4° | 150.0° |
| C31 | C05 | C06 | H6 | 177.4° | 180.0° |
| C05 | C04 | C03 | C32 | 11.2° | 95.0° |
| C05 | C04 | C03 | H4 | 120.6° | 120.0° |
| C05 | C04 | C03 | H5 | 120.6° | 120.0° |
| C05 | C04 | C03 | C02 | 170.2° | 85.0° |
| C05 | C04 | H4 | H5 | 118.2° | 120.0° |
| C04 | C05 | C06 | H6 | 0.8° | 0.1° |
| C04 | C05 | C31 | H19 | 0.6° | 0.0° |
| O30 | C16 | C15 | N17 | 179.3° | 179.9° |
| O30 | C16 | N17 | C20 | 1.1° | 0.1° |
| O30 | C16 | N17 | N18 | 179.2° | 179.9° |
| O30 | C16 | C15 | H12 | 168.2° | 120.0° |
| O30 | C16 | C15 | H13 | 47.1° | 120.0° |
| N33 | C32 | C03 | H20 | 180.0° | 179.9° |
| N33 | C32 | C03 | C04 | 179.6° | 180.0° |
| N33 | C32 | C03 | C02 | 1.0° | 0.0° |
| C32 | N33 | C34 | N35 | 178.4° | 180.0° |
| C32 | N33 | C34 | N36 | 3.1° | 0.0° |
| C03 | C32 | N33 | C34 | 1.6° | 0.0° |
| C32 | C03 | C04 | C02 | 178.6° | 180.0° |
| C32 | C03 | C02 | N36 | 2.0° | 0.0° |
| C32 | C03 | C02 | N01 | 179.3° | 179.7° |
| C32 | C03 | C04 | H4 | 109.4° | 25.0° |
| C32 | C03 | C04 | H5 | 131.8° | 145.0° |
| C84 | C81 | C75 | C69 | 0.2° | 0.0° |
| C84 | C81 | C75 | H33 | 180.0° | 180.0° |
| C84 | C81 | C75 | H28 | 179.8° | 180.0° |
| C81 | C84 | C78 | H29 | 179.4° | 179.8° |
| N33 | C34 | N35 | N36 | 178.5° | 180.0° |
| N33 | C34 | N36 | C02 | 2.1° | 0.0° |
| C34 | N33 | C32 | H20 | 178.4° | 179.9° |
| N33 | C34 | N35 | H37 | 0.0° | 180.0° |
| N33 | C34 | N35 | H38 | 120.0° | 0.0° |
| C15 | C16 | N17 | C20 | 178.2° | 180.0° |
| C15 | C16 | N17 | N18 | 0.1° | 0.0° |
| C16 | C15 | C14 | H10 | 49.1° | 60.0° |
| C16 | C15 | C14 | H11 | 70.1° | 60.1° |
| C16 | C15 | H12 | H13 | 121.6° | 120.0° |
| C16 | N17 | C20 | C69 | 108.7° | 105.1° |
| C16 | N17 | C20 | N18 | 178.0° | 180.0° |
| C16 | N17 | C20 | C24 | 129.4° | 135.1° |
| C16 | N17 | N18 | C19 | 148.4° | 113.4° |
| N17 | C16 | C15 | H12 | 11.0° | 59.9° |
| N17 | C16 | C15 | H13 | 132.2° | 60.1° |
| C16 | N17 | C20 | H16 | 11.5° | 15.2° |
| C16 | N17 | N18 | H36 | 91.6° | 123.3° |
| C04 | C03 | C02 | N36 | 179.3° | 180.0° |
| C04 | C03 | C02 | N01 | 0.6° | 0.3° |
| C03 | C04 | H4 | H5 | 118.2° | 120.0° |
| C04 | C03 | C32 | H20 | 0.4° | 0.1° |
| C03 | C02 | N36 | C34 | 0.5° | 0.0° |
| C03 | C02 | N36 | N01 | 178.7° | 179.7° |
| C02 | C03 | C04 | H4 | 69.2° | 155.0° |
| C02 | C03 | C04 | H5 | 49.6° | 35.0° |
| C02 | C03 | C32 | H20 | 179.0° | 179.9° |
| C03 | C02 | N01 | H34 | 178.7° | 179.8° |
| C03 | C02 | N01 | H35 | 61.3° | 0.3° |
| N35 | C34 | N36 | C02 | 179.3° | 180.0° |
| C34 | N35 | H37 | H38 | 120.0° | 179.9° |
| C34 | N36 | C02 | N01 | 179.2° | 179.7° |
| N36 | C34 | N35 | H37 | 178.5° | 0.0° |
| N36 | C34 | N35 | H38 | 58.5° | 179.9° |
| C20 | C69 | C75 | C81 | 179.4° | 180.0° |
| C69 | C20 | N17 | C24 | 121.9° | 119.8° |
| C69 | C20 | N17 | H16 | 120.3° | 120.3° |
| C69 | C20 | C24 | H16 | 115.5° | 120.4° |
| C69 | C20 | N17 | N18 | 73.2° | 74.9° |
| C69 | C20 | C24 | C29 | 83.5° | 70.9° |
| C69 | C20 | C24 | C25 | 95.3° | 109.1° |
| C20 | C69 | C72 | H27 | 0.3° | 0.0° |
| C20 | C69 | C75 | H28 | 0.6° | 0.0° |
| C69 | C75 | C81 | H28 | 180.0° | 179.9° |
| C75 | C69 | C20 | N17 | 83.5° | 62.5° |
| C75 | C69 | C20 | C24 | 40.4° | 56.9° |
| C75 | C69 | C20 | H16 | 155.9° | 177.2° |
| C75 | C69 | C72 | H27 | 179.3° | 179.8° |
| C69 | C75 | C81 | H33 | 179.8° | 180.0° |
| N17 | C20 | C24 | H16 | 118.3° | 119.8° |
| C20 | N17 | N18 | C19 | 29.5° | 66.6° |
| N17 | C20 | C24 | C29 | 150.2° | 169.3° |
| N17 | C20 | C24 | C25 | 30.9° | 10.7° |
| C20 | N17 | N18 | H36 | 90.5° | 56.7° |
| C24 | C20 | N17 | N18 | 48.7° | 44.9° |
| C20 | C24 | C29 | C25 | 178.8° | 180.0° |
| C20 | C24 | C29 | C28 | 179.1° | 179.6° |
| C20 | C24 | C25 | C19 | 1.6° | 0.5° |
| C20 | C24 | C25 | C26 | 179.4° | 179.5° |
| C20 | C24 | C29 | H18 | 0.9° | 0.3° |
| N17 | N18 | C19 | H36 | 120.0° | 123.3° |
| N17 | N18 | C19 | C25 | 6.5° | 49.0° |
| N17 | N18 | C19 | H14 | 115.8° | 71.4° |
| N17 | N18 | C19 | H15 | 128.8° | 169.3° |
| N18 | N17 | C20 | H16 | 166.5° | 164.8° |
| N36 | C02 | N01 | H34 | 0.0° | 0.0° |
| N36 | C02 | N01 | H35 | 120.0° | 180.0° |
| C02 | N01 | H34 | H35 | 120.0° | 179.9° |
| N18 | C19 | C25 | C24 | 19.7° | 18.9° |
| N18 | C19 | C25 | H14 | 122.3° | 120.4° |
| N18 | C19 | C25 | H15 | 122.3° | 120.3° |
| N18 | C19 | C25 | C26 | 159.1° | 161.1° |
| N18 | C19 | H14 | H15 | 112.3° | 119.3° |
| C24 | C29 | C28 | H18 | 180.0° | 179.9° |
| C29 | C24 | C25 | C19 | 179.6° | 179.5° |
| C29 | C24 | C25 | C26 | 0.7° | 0.5° |
| C24 | C29 | C28 | O45 | 179.9° | 180.0° |
| C24 | C29 | C28 | C27 | 0.0° | 0.0° |
| C29 | C24 | C20 | H16 | 32.0° | 49.5° |
| C28 | C29 | C24 | C25 | 0.3° | 0.4° |
| C29 | C28 | O45 | C46 | 79.1° | 0.0° |
| C29 | C28 | O45 | C27 | 179.9° | 180.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.1° |
| C29 | C28 | C27 | O47 | 179.6° | 179.8° |
| C24 | C25 | C19 | C26 | 178.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.3° |
| C24 | C25 | C19 | H14 | 102.6° | 101.5° |
| C24 | C25 | C19 | H15 | 142.0° | 139.2° |
| C25 | C24 | C20 | H16 | 149.2° | 130.5° |
| C24 | C25 | C26 | H17 | 179.3° | 179.7° |
| C25 | C24 | C29 | H18 | 179.6° | 179.7° |
| C19 | C25 | C26 | C27 | 179.4° | 179.6° |
| C25 | C19 | H14 | H15 | 112.3° | 119.4° |
| C19 | C25 | C26 | H17 | 0.5° | 0.3° |
| C25 | C19 | N18 | H36 | 126.6° | 74.4° |
| C25 | C26 | C27 | C28 | 0.3° | 0.0° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | O47 | 179.9° | 180.0° |
| C26 | C25 | C19 | H14 | 78.6° | 78.5° |
| C26 | C25 | C19 | H15 | 36.8° | 40.8° |
| C46 | O45 | C28 | C27 | 100.8° | 180.0° |
| O45 | C46 | H21 | H22 | 120.0° | 120.0° |
| O45 | C46 | H21 | H23 | 120.0° | 119.9° |
| O45 | C46 | H22 | H23 | 120.0° | 120.0° |
| O45 | C28 | C27 | C26 | 179.8° | 179.9° |
| O45 | C28 | C27 | O47 | 0.6° | 0.2° |
| O45 | C28 | C29 | H18 | 0.1° | 0.1° |
| C28 | O45 | C46 | H21 | 180.0° | 179.9° |
| C28 | O45 | C46 | H22 | 60.0° | 60.0° |
| C28 | O45 | C46 | H23 | 60.0° | 60.0° |
| C28 | C27 | C26 | O47 | 179.6° | 179.9° |
| C28 | C27 | O47 | C48 | 146.3° | 180.0° |
| C28 | C27 | C26 | H17 | 179.7° | 180.0° |
| C27 | C28 | C29 | H18 | 180.0° | 180.0° |
| C26 | C27 | O47 | C48 | 34.0° | 0.0° |
| O47 | C27 | C26 | H17 | 0.1° | 0.0° |
| C27 | O47 | C48 | H24 | 180.0° | 60.0° |
| C27 | O47 | C48 | H25 | 60.0° | 180.0° |
| C27 | O47 | C48 | H26 | 60.0° | 60.0° |
| O47 | C48 | H24 | H25 | 120.0° | 120.0° |
| O47 | C48 | H24 | H26 | 120.0° | 119.9° |
| O47 | C48 | H25 | H26 | 120.0° | 119.9° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H7 | C09 | H8 | H9 | 120.0° | 120.1° |
| H10 | C14 | C15 | H12 | 168.5° | 179.9° |
| H10 | C14 | C15 | H13 | 70.3° | 59.9° |
| H11 | C14 | C15 | H12 | 49.4° | 60.0° |
| H11 | C14 | C15 | H13 | 170.5° | 180.0° |
| H14 | C19 | N18 | H36 | 4.2° | 165.3° |
| H15 | C19 | N18 | H36 | 111.2° | 45.9° |
| H21 | C46 | H22 | H23 | 120.0° | 119.9° |
| H24 | C48 | H25 | H26 | 119.9° | 120.1° |
| H27 | C72 | C78 | H29 | 0.8° | 0.1° |
| H28 | C75 | C81 | H33 | 0.2° | 0.0° |
| H30 | C80 | H31 | H32 | 120.0° | 120.0° |
