1PO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.42Å | |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| O37 | C34 | sing | 1.36Å | 1.38Å | |
| O37 | C38 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C29 | sing | 1.51Å | 1.56Å | |
| C31 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | O30 | sing | 1.43Å | 1.41Å | |
| C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| O30 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C19 | sing | 1.53Å | 1.57Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C19 | C17 | sing | 1.53Å | 1.58Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.46Å | 1.48Å | |
| N03 | C05 | sing | 1.39Å | 1.43Å | |
| C15 | C16 | doub | 1.33Å | 1.56Å | |
| C15 | C13 | sing | 1.46Å | 1.53Å | |
| C05 | C06 | doub | 1.32Å | 1.35Å | |
| C13 | C11 | sing | 1.51Å | 1.54Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C11 | C08 | sing | 1.53Å | 1.58Å | |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | O09 | sing | 1.43Å | 1.40Å | |
| O09 | C10 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.08Å | 1.08Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O28 | C29 | 115.1° | 113.8° |
| O28 | C27 | C25 | 111.1° | 109.0° |
| O28 | C27 | H36 | 109.1° | 109.5° |
| O28 | C27 | H37 | 109.1° | 109.6° |
| O28 | C29 | C31 | 109.3° | 109.5° |
| O28 | C29 | O30 | 105.9° | 109.6° |
| O28 | C29 | H38 | 110.3° | 109.4° |
| C27 | C25 | C26 | 111.4° | 109.6° |
| C27 | C25 | C24 | 106.3° | 108.8° |
| C27 | C25 | H32 | 108.9° | 109.7° |
| C25 | C27 | H36 | 109.1° | 109.6° |
| C25 | C27 | H37 | 109.1° | 109.6° |
| C32 | C33 | C34 | 120.5° | 120.0° |
| C33 | C32 | C31 | 123.5° | 120.1° |
| C33 | C32 | H39 | 118.3° | 120.0° |
| C32 | C33 | H40 | 119.8° | 120.0° |
| C33 | C34 | O37 | 121.9° | 120.1° |
| C33 | C34 | C35 | 117.6° | 119.9° |
| C34 | C33 | H40 | 119.7° | 120.0° |
| C23 | C22 | C24 | 108.9° | 109.4° |
| C23 | C22 | C19 | 112.8° | 109.4° |
| C23 | C22 | H27 | 107.9° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.4° | 109.5° |
| C26 | C25 | C24 | 112.2° | 109.6° |
| C26 | C25 | H32 | 109.1° | 109.6° |
| C25 | C26 | H33 | 109.5° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C24 | O30 | 109.7° | 109.1° |
| C25 | C24 | C22 | 109.5° | 109.6° |
| C25 | C24 | H31 | 108.8° | 109.5° |
| C24 | C25 | H32 | 108.9° | 109.5° |
| C32 | C31 | C29 | 121.5° | 119.9° |
| C32 | C31 | C36 | 114.5° | 120.1° |
| C31 | C32 | H39 | 118.2° | 120.0° |
| C34 | O37 | C38 | 116.6° | 117.1° |
| O37 | C34 | C35 | 120.5° | 120.0° |
| O37 | C38 | H43 | 109.5° | 109.4° |
| O37 | C38 | H44 | 109.5° | 109.5° |
| O37 | C38 | H45 | 109.5° | 109.5° |
| C34 | C35 | C36 | 120.7° | 119.9° |
| C34 | C35 | H41 | 119.6° | 120.0° |
| C29 | C31 | C36 | 124.0° | 120.0° |
| C31 | C29 | O30 | 112.8° | 109.5° |
| C31 | C29 | H38 | 108.3° | 109.5° |
| C31 | C36 | C35 | 123.1° | 120.1° |
| C31 | C36 | H42 | 118.4° | 120.0° |
| C29 | O30 | C24 | 116.5° | 113.8° |
| O30 | C29 | H38 | 110.2° | 109.4° |
| C36 | C35 | H41 | 119.7° | 120.1° |
| C35 | C36 | H42 | 118.4° | 119.9° |
| O01 | C02 | N03 | 121.0° | 120.0° |
| O01 | C02 | H1 | 119.5° | 120.0° |
| O30 | C24 | C22 | 109.8° | 109.6° |
| O30 | C24 | H31 | 110.5° | 109.5° |
| C24 | C22 | C19 | 112.1° | 109.5° |
| C24 | C22 | H27 | 107.5° | 109.5° |
| C22 | C24 | H31 | 108.5° | 109.5° |
| C22 | C19 | C17 | 117.1° | 109.4° |
| C22 | C19 | O20 | 106.0° | 109.5° |
| C22 | C19 | H23 | 108.6° | 109.5° |
| C19 | C22 | H27 | 107.4° | 109.5° |
| C02 | N03 | C04 | 115.8° | 120.0° |
| C02 | N03 | C05 | 123.0° | 120.0° |
| N03 | C02 | H1 | 119.5° | 120.0° |
| C17 | C19 | O20 | 105.8° | 109.5° |
| C19 | C17 | C16 | 113.2° | 109.4° |
| C19 | C17 | C18 | 108.2° | 109.5° |
| C19 | C17 | H19 | 108.0° | 109.5° |
| C17 | C19 | H23 | 108.4° | 109.5° |
| C19 | O20 | C21 | 114.7° | 114.0° |
| O20 | C19 | H23 | 110.9° | 109.5° |
| C12 | C11 | C13 | 110.4° | 109.5° |
| C12 | C11 | C08 | 108.6° | 109.4° |
| C12 | C11 | H13 | 107.6° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C16 | C17 | C18 | 110.3° | 109.5° |
| C17 | C16 | C15 | 116.4° | 120.0° |
| C17 | C16 | H18 | 121.8° | 120.0° |
| C16 | C17 | H19 | 108.4° | 109.5° |
| C18 | C17 | H19 | 108.7° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C04 | N03 | C05 | 121.3° | 120.0° |
| N03 | C04 | H2 | 109.5° | 109.5° |
| N03 | C04 | H3 | 109.5° | 109.4° |
| N03 | C04 | H4 | 109.5° | 109.5° |
| N03 | C05 | C06 | 123.2° | 120.0° |
| N03 | C05 | H5 | 118.4° | 120.0° |
| C16 | C15 | C13 | 115.0° | 120.0° |
| C16 | C15 | H17 | 122.5° | 120.0° |
| C15 | C16 | H18 | 121.8° | 120.0° |
| C15 | C13 | C11 | 123.2° | 120.0° |
| C15 | C13 | O14 | 117.3° | 120.0° |
| C13 | C15 | H17 | 122.5° | 120.0° |
| C05 | C06 | C07 | 124.6° | 120.0° |
| C06 | C05 | H5 | 118.4° | 120.0° |
| C05 | C06 | H6 | 117.7° | 120.0° |
| C11 | C13 | O14 | 119.5° | 119.9° |
| C13 | C11 | C08 | 115.2° | 109.5° |
| C13 | C11 | H13 | 107.6° | 109.4° |
| C11 | C08 | C07 | 112.6° | 109.5° |
| C11 | C08 | O09 | 107.6° | 109.5° |
| C11 | C08 | H9 | 109.6° | 109.5° |
| C08 | C11 | H13 | 107.1° | 109.5° |
| O20 | C21 | H24 | 109.5° | 109.5° |
| O20 | C21 | H25 | 109.5° | 109.5° |
| O20 | C21 | H26 | 109.5° | 109.5° |
| C06 | C07 | C08 | 115.2° | 109.5° |
| C07 | C06 | H6 | 117.7° | 120.0° |
| C06 | C07 | H7 | 108.0° | 109.5° |
| C06 | C07 | H8 | 108.0° | 109.5° |
| C07 | C08 | O09 | 105.0° | 109.4° |
| C08 | C07 | H7 | 108.0° | 109.5° |
| C08 | C07 | H8 | 108.0° | 109.5° |
| C07 | C08 | H9 | 109.8° | 109.4° |
| C08 | O09 | C10 | 115.1° | 114.1° |
| O09 | C08 | H9 | 112.2° | 109.4° |
| O09 | C10 | H10 | 109.5° | 109.5° |
| O09 | C10 | H11 | 109.4° | 109.5° |
| O09 | C10 | H12 | 109.5° | 109.4° |
| H2 | C04 | H3 | 109.4° | 109.4° |
| H2 | C04 | H4 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.4° | 109.6° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.4° | 109.4° |
| H24 | C21 | H26 | 109.4° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.5° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H33 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H43 | C38 | H44 | 109.4° | 109.5° |
| H43 | C38 | H45 | 109.5° | 109.5° |
| H44 | C38 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C25 | H36 | 120.2° | 119.9° |
| O28 | C27 | C25 | H37 | 120.3° | 119.9° |
| O28 | C27 | C25 | C26 | 173.7° | 174.3° |
| O28 | C27 | C25 | C24 | 51.2° | 54.5° |
| C27 | O28 | C29 | C31 | 179.1° | 178.8° |
| C27 | O28 | C29 | O30 | 59.1° | 58.7° |
| O28 | C27 | C25 | H32 | 66.0° | 65.4° |
| O28 | C27 | H36 | H37 | 119.3° | 120.2° |
| C27 | O28 | C29 | H38 | 60.1° | 61.3° |
| C29 | O28 | C27 | C25 | 58.9° | 57.9° |
| O28 | C29 | C31 | C32 | 89.5° | 119.8° |
| O28 | C29 | C31 | O30 | 117.6° | 120.2° |
| O28 | C29 | C31 | H38 | 120.2° | 119.9° |
| O28 | C29 | C31 | C36 | 91.6° | 59.9° |
| O28 | C29 | O30 | H38 | 119.3° | 119.9° |
| O28 | C29 | O30 | C24 | 60.5° | 58.6° |
| C29 | O28 | C27 | H36 | 61.3° | 177.8° |
| C29 | O28 | C27 | H37 | 179.2° | 62.0° |
| C27 | C25 | C26 | C24 | 119.0° | 119.4° |
| C27 | C25 | C26 | H32 | 120.2° | 120.4° |
| C27 | C25 | C24 | H32 | 117.2° | 119.9° |
| C27 | C25 | C24 | O30 | 50.8° | 54.4° |
| C27 | C25 | C24 | C22 | 171.3° | 174.4° |
| C27 | C25 | C24 | H31 | 70.3° | 65.4° |
| C27 | C25 | C26 | H33 | 180.0° | 59.3° |
| C27 | C25 | C26 | H34 | 60.0° | 60.7° |
| C27 | C25 | C26 | H35 | 60.0° | 179.3° |
| C25 | C27 | H36 | H37 | 119.3° | 120.3° |
| C32 | C33 | C34 | H40 | 180.0° | 180.0° |
| C33 | C32 | C31 | H39 | 180.0° | 179.9° |
| C32 | C33 | C34 | O37 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C33 | C32 | C31 | C29 | 179.4° | 180.0° |
| C33 | C32 | C31 | C36 | 0.5° | 0.3° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C33 | C34 | O37 | C35 | 179.7° | 180.0° |
| C33 | C34 | O37 | C38 | 62.6° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.3° |
| C34 | C33 | C32 | H39 | 179.9° | 180.0° |
| C33 | C34 | C35 | H41 | 179.9° | 179.9° |
| C23 | C22 | C24 | C25 | 40.1° | 65.2° |
| C23 | C22 | C24 | O30 | 80.4° | 54.5° |
| C23 | C22 | C24 | C19 | 125.5° | 120.0° |
| C23 | C22 | C24 | H27 | 116.7° | 120.0° |
| C23 | C22 | C19 | H27 | 118.8° | 120.0° |
| C23 | C22 | C19 | C17 | 57.3° | 179.5° |
| C23 | C22 | C19 | O20 | 175.0° | 60.5° |
| C23 | C22 | C19 | H23 | 65.8° | 59.5° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C23 | C22 | C24 | H31 | 158.7° | 174.7° |
| C26 | C25 | C24 | H32 | 120.9° | 120.2° |
| C26 | C25 | C24 | O30 | 172.8° | 174.3° |
| C26 | C25 | C24 | C22 | 66.7° | 65.8° |
| C26 | C25 | C24 | H31 | 51.7° | 54.4° |
| C25 | C26 | H33 | H34 | 120.0° | 120.0° |
| C25 | C26 | H33 | H35 | 120.0° | 120.0° |
| C25 | C26 | H34 | H35 | 120.0° | 120.0° |
| C26 | C25 | C27 | H36 | 53.4° | 65.9° |
| C26 | C25 | C27 | H37 | 66.1° | 54.4° |
| C25 | C24 | O30 | C29 | 59.7° | 57.7° |
| C25 | C24 | O30 | C22 | 120.3° | 120.0° |
| C25 | C24 | O30 | H31 | 120.0° | 119.8° |
| C25 | C24 | C22 | H31 | 118.6° | 120.2° |
| C25 | C24 | C22 | C19 | 165.6° | 174.9° |
| C25 | C24 | C22 | H27 | 76.6° | 54.8° |
| C24 | C25 | C26 | H33 | 61.0° | 60.0° |
| C24 | C25 | C26 | H34 | 59.0° | 180.0° |
| C24 | C25 | C26 | H35 | 179.0° | 60.0° |
| C24 | C25 | C27 | H36 | 69.1° | 174.3° |
| C24 | C25 | C27 | H37 | 171.5° | 65.5° |
| C32 | C31 | C29 | C36 | 178.9° | 179.7° |
| C32 | C31 | C29 | O30 | 28.1° | 0.4° |
| C32 | C31 | C36 | C35 | 0.5° | 0.5° |
| C32 | C31 | C29 | H38 | 150.3° | 120.3° |
| C31 | C32 | C33 | H40 | 179.9° | 180.0° |
| C32 | C31 | C36 | H42 | 179.5° | 179.8° |
| O37 | C34 | C35 | C36 | 179.8° | 179.8° |
| O37 | C34 | C33 | H40 | 0.1° | 0.0° |
| O37 | C34 | C35 | H41 | 0.2° | 0.0° |
| C34 | O37 | C38 | H43 | 180.0° | 60.0° |
| C34 | O37 | C38 | H44 | 60.0° | 60.0° |
| C34 | O37 | C38 | H45 | 60.0° | 180.0° |
| C38 | O37 | C34 | C35 | 117.1° | 0.0° |
| O37 | C38 | H43 | H44 | 120.0° | 120.0° |
| O37 | C38 | H43 | H45 | 120.0° | 120.0° |
| O37 | C38 | H44 | H45 | 120.0° | 120.0° |
| C34 | C35 | C36 | C31 | 0.3° | 0.5° |
| C34 | C35 | C36 | H41 | 180.0° | 179.8° |
| C35 | C34 | C33 | H40 | 179.8° | 180.0° |
| C34 | C35 | C36 | H42 | 179.7° | 179.8° |
| C31 | C29 | O30 | H38 | 121.2° | 120.0° |
| C29 | C31 | C36 | C35 | 179.5° | 179.7° |
| C31 | C29 | O30 | C24 | 180.0° | 178.6° |
| C29 | C31 | C32 | H39 | 0.6° | 0.1° |
| C29 | C31 | C36 | H42 | 0.5° | 0.0° |
| C36 | C31 | C29 | O30 | 150.8° | 179.9° |
| C31 | C36 | C35 | H42 | 180.0° | 179.7° |
| C36 | C31 | C29 | H38 | 28.6° | 60.0° |
| C36 | C31 | C32 | H39 | 179.6° | 179.7° |
| C31 | C36 | C35 | H41 | 179.8° | 179.7° |
| C29 | O30 | C24 | C22 | 179.9° | 177.7° |
| C29 | O30 | C24 | H31 | 60.3° | 62.1° |
| O01 | C02 | N03 | H1 | 180.0° | 179.8° |
| O01 | C02 | N03 | C04 | 0.1° | 0.0° |
| O01 | C02 | N03 | C05 | 179.9° | 180.0° |
| O30 | C24 | C22 | H31 | 120.9° | 120.2° |
| O30 | C24 | C22 | C19 | 45.1° | 65.5° |
| O30 | C24 | C22 | H27 | 162.9° | 174.5° |
| O30 | C24 | C25 | H32 | 66.4° | 65.5° |
| C24 | O30 | C29 | H38 | 58.8° | 61.4° |
| C24 | C22 | C19 | H27 | 117.8° | 120.1° |
| C24 | C22 | C19 | C17 | 179.3° | 60.5° |
| C24 | C22 | C19 | O20 | 61.6° | 59.5° |
| C24 | C22 | C19 | H23 | 57.5° | 179.5° |
| C24 | C22 | C23 | H28 | 180.0° | 54.3° |
| C24 | C22 | C23 | H29 | 60.0° | 174.4° |
| C24 | C22 | C23 | H30 | 60.0° | 65.6° |
| C22 | C24 | C25 | H32 | 54.1° | 54.5° |
| C22 | C19 | C17 | O20 | 117.8° | 120.0° |
| C22 | C19 | C17 | H23 | 123.2° | 120.0° |
| C22 | C19 | O20 | H23 | 117.7° | 120.0° |
| C22 | C19 | C17 | C16 | 50.4° | 176.4° |
| C22 | C19 | C17 | C18 | 173.0° | 63.6° |
| C22 | C19 | O20 | C21 | 117.0° | 110.3° |
| C22 | C19 | C17 | H19 | 69.5° | 56.4° |
| C19 | C22 | C23 | H28 | 54.9° | 65.7° |
| C19 | C22 | C23 | H29 | 174.9° | 54.4° |
| C19 | C22 | C23 | H30 | 65.1° | 174.4° |
| C19 | C22 | C24 | H31 | 75.8° | 54.7° |
| C02 | N03 | C04 | C05 | 180.0° | 180.0° |
| C02 | N03 | C05 | C06 | 175.0° | 180.0° |
| C02 | N03 | C04 | H2 | 180.0° | 90.0° |
| C02 | N03 | C04 | H3 | 60.0° | 150.1° |
| C02 | N03 | C04 | H4 | 60.0° | 30.1° |
| C02 | N03 | C05 | H5 | 5.0° | 0.0° |
| C17 | C19 | O20 | H23 | 117.4° | 120.0° |
| C19 | C17 | C16 | C18 | 121.4° | 120.0° |
| C19 | C17 | C16 | H19 | 119.7° | 120.0° |
| C19 | C17 | C18 | H19 | 117.0° | 120.0° |
| C19 | C17 | C16 | C15 | 161.4° | 120.0° |
| C17 | C19 | O20 | C21 | 118.0° | 129.7° |
| C19 | C17 | C16 | H18 | 18.6° | 60.0° |
| C19 | C17 | C18 | H20 | 180.0° | 56.7° |
| C19 | C17 | C18 | H21 | 60.0° | 63.4° |
| C19 | C17 | C18 | H22 | 60.0° | 176.6° |
| C17 | C19 | C22 | H27 | 61.5° | 59.5° |
| O20 | C19 | C17 | C16 | 67.4° | 56.4° |
| O20 | C19 | C17 | C18 | 55.2° | 176.4° |
| O20 | C19 | C17 | H19 | 172.7° | 63.6° |
| C19 | O20 | C21 | H24 | 180.0° | 57.1° |
| C19 | O20 | C21 | H25 | 60.0° | 62.9° |
| C19 | O20 | C21 | H26 | 60.0° | 177.1° |
| O20 | C19 | C22 | H27 | 56.2° | 179.5° |
| C12 | C11 | C13 | C15 | 116.2° | 85.0° |
| C12 | C11 | C13 | C08 | 123.5° | 120.0° |
| C12 | C11 | C13 | H13 | 117.2° | 120.0° |
| C12 | C11 | C13 | O14 | 64.1° | 95.0° |
| C12 | C11 | C08 | H13 | 116.0° | 120.0° |
| C12 | C11 | C08 | C07 | 71.9° | 60.0° |
| C12 | C11 | C08 | O09 | 172.8° | 180.0° |
| C12 | C11 | C08 | H9 | 50.6° | 60.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | H19 | 118.7° | 120.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C13 | 170.7° | 179.9° |
| C17 | C16 | C15 | H17 | 9.3° | 0.0° |
| C16 | C17 | C18 | H20 | 55.7° | 176.7° |
| C16 | C17 | C18 | H21 | 175.7° | 56.6° |
| C16 | C17 | C18 | H22 | 64.3° | 63.4° |
| C16 | C17 | C19 | H23 | 173.6° | 63.6° |
| C18 | C17 | C16 | C15 | 77.3° | 120.0° |
| C18 | C17 | C16 | H18 | 102.8° | 59.9° |
| C17 | C18 | H20 | H21 | 120.0° | 120.1° |
| C17 | C18 | H20 | H22 | 120.0° | 119.9° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C18 | C17 | C19 | H23 | 63.8° | 56.4° |
| C04 | N03 | C05 | C06 | 5.0° | 0.0° |
| C04 | N03 | C02 | H1 | 179.9° | 179.7° |
| N03 | C04 | H2 | H3 | 120.0° | 119.9° |
| N03 | C04 | H2 | H4 | 120.0° | 120.1° |
| N03 | C04 | H3 | H4 | 120.0° | 120.0° |
| C04 | N03 | C05 | H5 | 175.0° | 180.0° |
| N03 | C05 | C06 | H5 | 180.0° | 180.0° |
| N03 | C05 | C06 | C07 | 175.9° | 180.0° |
| C05 | N03 | C02 | H1 | 0.1° | 0.2° |
| C05 | N03 | C04 | H2 | 0.0° | 89.9° |
| C05 | N03 | C04 | H3 | 120.0° | 30.0° |
| C05 | N03 | C04 | H4 | 120.0° | 150.0° |
| N03 | C05 | C06 | H6 | 4.1° | 0.0° |
| C16 | C15 | C13 | H17 | 180.0° | 179.9° |
| C16 | C15 | C13 | C11 | 174.2° | 180.0° |
| C16 | C15 | C13 | O14 | 5.4° | 0.1° |
| C15 | C16 | C17 | H19 | 41.6° | 0.0° |
| C15 | C13 | C11 | O14 | 179.7° | 180.0° |
| C15 | C13 | C11 | C08 | 120.3° | 155.1° |
| C15 | C13 | C11 | H13 | 1.0° | 35.0° |
| C13 | C15 | C16 | H18 | 9.4° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 129.5° | 122.5° |
| C05 | C06 | C07 | H7 | 8.7° | 117.5° |
| C05 | C06 | C07 | H8 | 109.7° | 2.5° |
| C13 | C11 | C08 | H13 | 119.6° | 120.0° |
| C13 | C11 | C08 | C07 | 163.6° | 180.0° |
| C13 | C11 | C08 | O09 | 48.4° | 60.0° |
| C13 | C11 | C08 | H9 | 73.9° | 60.0° |
| C13 | C11 | C12 | H14 | 180.0° | 60.0° |
| C13 | C11 | C12 | H15 | 60.0° | 60.0° |
| C13 | C11 | C12 | H16 | 60.0° | 179.9° |
| C11 | C13 | C15 | H17 | 5.8° | 0.1° |
| O14 | C13 | C11 | C08 | 59.4° | 25.0° |
| O14 | C13 | C11 | H13 | 178.7° | 145.0° |
| O14 | C13 | C15 | H17 | 174.5° | 180.0° |
| C11 | C08 | C07 | C06 | 50.0° | 175.1° |
| C11 | C08 | C07 | O09 | 116.8° | 120.0° |
| C11 | C08 | C07 | H9 | 122.4° | 120.1° |
| C11 | C08 | O09 | H9 | 120.6° | 120.0° |
| C11 | C08 | O09 | C10 | 124.9° | 137.5° |
| C11 | C08 | C07 | H7 | 70.9° | 64.8° |
| C11 | C08 | C07 | H8 | 170.8° | 55.1° |
| C08 | C11 | C12 | H14 | 52.7° | 60.0° |
| C08 | C11 | C12 | H15 | 67.3° | 180.0° |
| C08 | C11 | C12 | H16 | 172.7° | 60.0° |
| C21 | O20 | C19 | H23 | 0.6° | 9.7° |
| O20 | C21 | H24 | H25 | 120.0° | 120.0° |
| O20 | C21 | H24 | H26 | 120.0° | 120.1° |
| O20 | C21 | H25 | H26 | 120.0° | 120.0° |
| C06 | C07 | C08 | H7 | 120.8° | 120.0° |
| C06 | C07 | C08 | H8 | 120.8° | 120.0° |
| C06 | C07 | C08 | O09 | 66.9° | 64.8° |
| C07 | C06 | C05 | H5 | 4.1° | 0.0° |
| C06 | C07 | H7 | H8 | 117.4° | 120.0° |
| C06 | C07 | C08 | H9 | 172.4° | 55.1° |
| C07 | C08 | O09 | H9 | 119.2° | 119.9° |
| C07 | C08 | O09 | C10 | 114.9° | 102.4° |
| C08 | C07 | C06 | H6 | 50.4° | 57.5° |
| C08 | C07 | H7 | H8 | 117.4° | 120.0° |
| C07 | C08 | C11 | H13 | 44.0° | 60.0° |
| O09 | C08 | C07 | H7 | 172.3° | 55.2° |
| O09 | C08 | C07 | H8 | 54.0° | 175.1° |
| C08 | O09 | C10 | H10 | 180.0° | 174.4° |
| C08 | O09 | C10 | H11 | 60.0° | 65.5° |
| C08 | O09 | C10 | H12 | 60.0° | 54.4° |
| O09 | C08 | C11 | H13 | 71.2° | 60.0° |
| C10 | O09 | C08 | H9 | 4.3° | 17.5° |
| O09 | C10 | H10 | H11 | 120.0° | 120.1° |
| O09 | C10 | H10 | H12 | 120.0° | 120.0° |
| O09 | C10 | H11 | H12 | 120.0° | 120.0° |
| H2 | C04 | H3 | H4 | 120.0° | 120.0° |
| H5 | C05 | C06 | H6 | 175.9° | 180.0° |
| H6 | C06 | C07 | H7 | 171.3° | 62.6° |
| H6 | C06 | C07 | H8 | 70.4° | 177.5° |
| H7 | C07 | C08 | H9 | 51.5° | 175.1° |
| H8 | C07 | C08 | H9 | 66.8° | 65.0° |
| H9 | C08 | C11 | H13 | 166.6° | 180.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H13 | C11 | C12 | H14 | 62.8° | 179.9° |
| H13 | C11 | C12 | H15 | 177.2° | 59.9° |
| H13 | C11 | C12 | H16 | 57.1° | 60.0° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| H17 | C15 | C16 | H18 | 170.6° | 179.9° |
| H18 | C16 | C17 | H19 | 138.3° | 180.0° |
| H19 | C17 | C18 | H20 | 63.0° | 63.3° |
| H19 | C17 | C18 | H21 | 57.0° | 176.6° |
| H19 | C17 | C18 | H22 | 177.0° | 56.6° |
| H19 | C17 | C19 | H23 | 53.7° | 176.4° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
| H23 | C19 | C22 | H27 | 175.3° | 60.5° |
| H24 | C21 | H25 | H26 | 119.9° | 120.0° |
| H27 | C22 | C23 | H28 | 63.6° | 174.3° |
| H27 | C22 | C23 | H29 | 56.4° | 65.6° |
| H27 | C22 | C23 | H30 | 176.4° | 54.4° |
| H27 | C22 | C24 | H31 | 42.0° | 65.3° |
| H28 | C23 | H29 | H30 | 120.0° | 120.0° |
| H31 | C24 | C25 | H32 | 172.6° | 174.6° |
| H32 | C25 | C26 | H33 | 59.8° | 179.8° |
| H32 | C25 | C26 | H34 | 179.8° | 59.8° |
| H32 | C25 | C26 | H35 | 60.2° | 60.2° |
| H32 | C25 | C27 | H36 | 173.7° | 54.5° |
| H32 | C25 | C27 | H37 | 54.2° | 174.7° |
| H33 | C26 | H34 | H35 | 120.0° | 120.0° |
| H39 | C32 | C33 | H40 | 0.1° | 0.0° |
| H41 | C35 | C36 | H42 | 0.2° | 0.0° |
| H43 | C38 | H44 | H45 | 120.0° | 120.0° |
