I0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C22 | sing | 1.53Å | 1.56Å | |
| C16 | C22 | sing | 1.53Å | 1.56Å | |
| C16 | C13 | sing | 1.50Å | 1.54Å | |
| C22 | C28 | sing | 1.53Å | 1.57Å | |
| C22 | N01 | sing | 1.47Å | 1.46Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | doub | 1.38Å | 1.23Å | Aromatic |
| C02 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | C04 | sing | 1.38Å | 1.20Å | Aromatic |
| O01 | C13 | doub | 1.21Å | 1.18Å | |
| C13 | N02 | sing | 1.34Å | 1.42Å | |
| C04 | C09 | doub | 1.38Å | 1.32Å | Aromatic |
| N01 | C14 | sing | 1.38Å | 1.43Å | |
| C05 | C11 | doub | 1.39Å | 1.58Å | Aromatic |
| N02 | C14 | sing | 1.38Å | 1.43Å | |
| N02 | C20 | sing | 1.46Å | 1.40Å | |
| C14 | N04 | doub | 1.30Å | 1.25Å | |
| C09 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C21 | sing | 1.51Å | 1.49Å | |
| O02 | C15 | doub | 1.22Å | 1.17Å | |
| C11 | O04 | sing | 1.36Å | 1.22Å | |
| C15 | C08 | sing | 1.48Å | 1.52Å | |
| C15 | N03 | sing | 1.35Å | 1.47Å | |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.52Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C03 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | O03 | sing | 1.36Å | 1.37Å | |
| O03 | C19 | sing | 1.43Å | 1.35Å | |
| C21 | N03 | sing | 1.47Å | 1.36Å | |
| C21 | C18 | sing | 1.53Å | 1.66Å | |
| O04 | C23 | sing | 1.43Å | 1.32Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | C18 | sing | 1.54Å | 1.66Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C16 | H08 | sing | 1.09Å | 1.10Å | |
| C16 | H09 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| N01 | H34 | sing | 0.97Å | 1.00Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å | |
| N04 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C29 | C22 | 113.1° | 109.4° |
| C29 | C27 | H27 | 109.5° | 109.5° |
| C29 | C27 | H29 | 109.5° | 109.4° |
| C29 | C27 | H28 | 109.5° | 109.5° |
| C27 | C29 | H33 | 108.6° | 109.5° |
| C27 | C29 | H32 | 108.6° | 109.5° |
| C29 | C22 | C16 | 116.7° | 109.7° |
| C29 | C22 | C28 | 111.7° | 109.7° |
| C29 | C22 | N01 | 109.8° | 109.8° |
| C22 | C29 | H33 | 108.6° | 109.4° |
| C22 | C29 | H32 | 108.5° | 109.5° |
| C22 | C16 | C13 | 115.2° | 110.2° |
| C16 | C22 | C28 | 97.6° | 109.8° |
| C16 | C22 | N01 | 119.0° | 108.1° |
| C22 | C16 | H08 | 108.0° | 109.3° |
| C22 | C16 | H09 | 108.0° | 109.4° |
| C16 | C13 | O01 | 119.3° | 118.7° |
| C16 | C13 | N02 | 120.7° | 122.6° |
| C13 | C16 | H08 | 108.0° | 109.4° |
| C13 | C16 | H09 | 108.0° | 109.3° |
| C28 | C22 | N01 | 99.7° | 109.8° |
| C22 | C28 | C26 | 114.1° | 109.5° |
| C22 | C28 | H30 | 108.3° | 109.5° |
| C22 | C28 | H31 | 108.3° | 109.4° |
| C22 | N01 | C14 | 120.2° | 116.5° |
| C22 | N01 | H34 | 119.9° | 121.7° |
| C28 | C26 | H25 | 109.5° | 109.5° |
| C28 | C26 | H26 | 109.5° | 109.5° |
| C28 | C26 | H24 | 109.5° | 109.5° |
| C26 | C28 | H30 | 108.3° | 109.5° |
| C26 | C28 | H31 | 108.3° | 109.5° |
| C01 | C02 | C05 | 117.6° | 120.0° |
| C02 | C01 | C04 | 129.4° | 119.9° |
| C02 | C01 | H01 | 115.3° | 120.0° |
| C01 | C02 | H02 | 121.2° | 120.0° |
| C02 | C05 | C11 | 114.5° | 120.2° |
| C05 | C02 | H02 | 121.2° | 120.0° |
| C02 | C05 | H05 | 122.7° | 119.9° |
| C01 | C04 | C09 | 126.8° | 120.3° |
| C04 | C01 | H01 | 115.3° | 120.1° |
| C01 | C04 | H04 | 116.6° | 119.8° |
| O01 | C13 | N02 | 120.0° | 118.7° |
| C13 | N02 | C14 | 121.4° | 121.1° |
| C13 | N02 | C20 | 121.0° | 119.4° |
| C04 | C09 | C11 | 115.6° | 119.8° |
| C04 | C09 | C21 | 122.9° | 118.8° |
| C09 | C04 | H04 | 116.6° | 119.9° |
| N01 | C14 | N02 | 122.7° | 117.8° |
| N01 | C14 | N04 | 115.1° | 121.1° |
| C14 | N01 | H34 | 119.9° | 121.8° |
| C05 | C11 | C09 | 116.1° | 119.7° |
| C05 | C11 | O04 | 119.9° | 118.5° |
| C11 | C05 | H05 | 122.7° | 119.9° |
| C14 | N02 | C20 | 117.5° | 119.5° |
| N02 | C14 | N04 | 122.1° | 121.1° |
| N02 | C20 | C17 | 119.7° | 109.5° |
| N02 | C20 | C10 | 101.3° | 110.2° |
| N02 | C20 | H16 | 108.8° | 109.4° |
| C14 | N04 | H37 | 112.0° | 120.0° |
| C11 | C09 | C21 | 121.2° | 121.4° |
| C09 | C11 | O04 | 123.9° | 121.8° |
| C09 | C21 | N03 | 114.9° | 109.4° |
| C09 | C21 | C18 | 111.7° | 109.7° |
| C09 | C21 | H17 | 105.2° | 109.4° |
| O02 | C15 | C08 | 120.6° | 120.0° |
| O02 | C15 | N03 | 123.6° | 120.0° |
| C11 | O04 | C23 | 127.8° | 117.9° |
| C08 | C15 | N03 | 115.3° | 120.0° |
| C15 | C08 | C07 | 122.9° | 120.1° |
| C15 | C08 | C03 | 119.1° | 120.2° |
| C15 | N03 | C21 | 116.9° | 120.0° |
| C15 | N03 | H35 | 121.5° | 120.0° |
| C08 | C07 | C10 | 125.0° | 120.2° |
| C07 | C08 | C03 | 118.0° | 119.7° |
| C08 | C07 | H07 | 117.5° | 119.9° |
| C07 | C10 | C20 | 121.5° | 118.7° |
| C07 | C10 | C12 | 116.5° | 120.0° |
| C10 | C07 | H07 | 117.5° | 119.9° |
| C08 | C03 | C06 | 116.3° | 119.8° |
| C08 | C03 | H03 | 121.9° | 120.1° |
| C20 | C17 | C19 | 107.5° | 108.8° |
| C17 | C20 | C10 | 112.2° | 110.0° |
| C20 | C17 | H11 | 110.0° | 109.7° |
| C20 | C17 | H10 | 109.9° | 109.7° |
| C17 | C20 | H16 | 107.0° | 109.4° |
| C17 | C19 | O03 | 124.1° | 108.4° |
| C19 | C17 | H11 | 109.9° | 110.4° |
| C19 | C17 | H10 | 110.0° | 108.5° |
| C17 | C19 | H15 | 105.7° | 109.7° |
| C17 | C19 | H14 | 105.7° | 109.7° |
| C03 | C06 | C12 | 127.5° | 120.4° |
| C06 | C03 | H03 | 121.9° | 120.1° |
| C03 | C06 | H06 | 116.3° | 119.8° |
| C20 | C10 | C12 | 122.0° | 121.4° |
| C10 | C20 | H16 | 107.2° | 108.3° |
| C10 | C12 | C06 | 116.7° | 119.9° |
| C10 | C12 | O03 | 124.3° | 121.8° |
| C06 | C12 | O03 | 118.8° | 118.4° |
| C12 | C06 | H06 | 116.3° | 119.8° |
| C12 | O03 | C19 | 111.7° | 117.9° |
| O03 | C19 | H15 | 105.7° | 110.1° |
| O03 | C19 | H14 | 105.7° | 109.3° |
| N03 | C21 | C18 | 113.5° | 109.4° |
| N03 | C21 | H17 | 106.7° | 109.4° |
| C21 | N03 | H35 | 121.5° | 120.0° |
| C21 | C18 | C23 | 109.8° | 108.0° |
| C21 | C18 | H12 | 109.4° | 109.7° |
| C21 | C18 | H13 | 109.4° | 109.7° |
| C18 | C21 | H17 | 103.7° | 109.4° |
| O04 | C23 | C24 | 112.6° | 109.8° |
| O04 | C23 | C18 | 109.1° | 108.1° |
| O04 | C23 | C25 | 111.8° | 109.8° |
| C24 | C23 | C18 | 105.4° | 109.7° |
| C24 | C23 | C25 | 109.5° | 109.7° |
| C23 | C24 | H20 | 109.5° | 109.4° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C23 | C24 | H18 | 109.5° | 109.5° |
| C18 | C23 | C25 | 108.2° | 109.7° |
| C23 | C18 | H12 | 109.4° | 109.4° |
| C23 | C18 | H13 | 109.4° | 110.3° |
| C23 | C25 | H21 | 109.5° | 109.4° |
| C23 | C25 | H23 | 109.5° | 109.4° |
| C23 | C25 | H22 | 109.5° | 109.5° |
| H08 | C16 | H09 | 109.5° | 109.3° |
| H11 | C17 | H10 | 109.5° | 109.7° |
| H12 | C18 | H13 | 109.5° | 109.7° |
| H15 | C19 | H14 | 109.4° | 109.7° |
| H20 | C24 | H19 | 109.5° | 109.5° |
| H20 | C24 | H18 | 109.4° | 109.5° |
| H19 | C24 | H18 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C25 | H22 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.4° | 109.4° |
| H25 | C26 | H24 | 109.5° | 109.4° |
| H26 | C26 | H24 | 109.5° | 109.5° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C27 | H28 | 109.4° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.4° |
| H33 | C29 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C29 | C22 | H33 | 120.6° | 120.0° |
| C27 | C29 | C22 | H32 | 120.5° | 120.0° |
| C27 | C29 | C22 | C16 | 78.3° | 64.0° |
| C27 | C29 | C22 | C28 | 32.8° | 175.4° |
| C27 | C29 | C22 | N01 | 142.4° | 54.7° |
| C29 | C27 | H27 | H29 | 120.0° | 120.0° |
| C29 | C27 | H27 | H28 | 120.0° | 120.1° |
| C29 | C27 | H29 | H28 | 120.0° | 120.0° |
| C27 | C29 | H33 | H32 | 118.3° | 120.0° |
| C29 | C22 | C16 | C28 | 119.0° | 120.6° |
| C29 | C22 | C16 | N01 | 135.4° | 119.7° |
| C29 | C22 | C16 | C13 | 144.4° | 164.9° |
| C29 | C22 | C28 | N01 | 115.9° | 120.7° |
| C29 | C22 | C28 | C26 | 78.6° | 64.8° |
| C29 | C22 | N01 | C14 | 148.0° | 175.7° |
| C29 | C22 | C16 | H08 | 94.7° | 44.7° |
| C29 | C22 | C16 | H09 | 23.6° | 74.9° |
| C22 | C29 | C27 | H27 | 180.0° | 65.5° |
| C22 | C29 | C27 | H29 | 60.0° | 174.5° |
| C22 | C29 | C27 | H28 | 60.0° | 54.6° |
| C29 | C22 | C28 | H30 | 42.1° | 55.3° |
| C29 | C22 | C28 | H31 | 160.7° | 175.2° |
| C22 | C29 | H33 | H32 | 118.3° | 120.0° |
| C29 | C22 | N01 | H34 | 32.0° | 4.3° |
| C22 | C16 | C13 | H08 | 120.8° | 120.2° |
| C22 | C16 | C13 | H09 | 120.8° | 120.2° |
| C16 | C22 | C28 | N01 | 121.3° | 118.7° |
| C16 | C22 | C28 | C26 | 158.6° | 174.6° |
| C22 | C16 | C13 | O01 | 175.7° | 157.5° |
| C22 | C16 | C13 | N02 | 6.1° | 22.3° |
| C16 | C22 | N01 | C14 | 9.8° | 56.1° |
| C22 | C16 | H08 | H09 | 117.3° | 119.7° |
| C16 | C22 | C28 | H30 | 80.7° | 65.4° |
| C16 | C22 | C28 | H31 | 37.9° | 54.6° |
| C16 | C22 | C29 | H33 | 42.3° | 56.0° |
| C16 | C22 | C29 | H32 | 161.2° | 176.0° |
| C16 | C22 | N01 | H34 | 170.2° | 123.9° |
| C13 | C16 | C22 | C28 | 96.6° | 74.5° |
| C13 | C16 | C22 | N01 | 9.0° | 45.2° |
| C16 | C13 | O01 | N02 | 178.2° | 179.8° |
| C16 | C13 | N02 | C14 | 3.7° | 3.1° |
| C16 | C13 | N02 | C20 | 179.2° | 176.9° |
| C13 | C16 | H08 | H09 | 117.4° | 119.6° |
| C22 | C28 | C26 | H30 | 120.7° | 120.1° |
| C22 | C28 | C26 | H31 | 120.7° | 120.0° |
| C28 | C22 | N01 | C14 | 94.6° | 63.6° |
| C28 | C22 | C16 | H08 | 24.3° | 165.3° |
| C28 | C22 | C16 | H09 | 142.6° | 45.7° |
| C22 | C28 | C26 | H25 | 180.0° | 53.8° |
| C22 | C28 | C26 | H26 | 60.0° | 66.1° |
| C22 | C28 | C26 | H24 | 60.0° | 173.8° |
| C22 | C28 | H30 | H31 | 117.9° | 120.0° |
| C28 | C22 | C29 | H33 | 153.4° | 64.6° |
| C28 | C22 | C29 | H32 | 87.7° | 55.4° |
| C28 | C22 | N01 | H34 | 85.4° | 116.4° |
| N01 | C22 | C28 | C26 | 37.3° | 55.9° |
| C22 | N01 | C14 | H34 | 180.0° | 180.0° |
| C22 | N01 | C14 | N02 | 7.3° | 38.5° |
| C22 | N01 | C14 | N04 | 175.7° | 141.5° |
| N01 | C22 | C16 | H08 | 129.9° | 75.0° |
| N01 | C22 | C16 | H09 | 111.8° | 165.4° |
| N01 | C22 | C28 | H30 | 158.0° | 176.0° |
| N01 | C22 | C28 | H31 | 83.4° | 64.0° |
| N01 | C22 | C29 | H33 | 97.0° | 174.7° |
| N01 | C22 | C29 | H32 | 21.9° | 65.3° |
| C28 | C26 | H25 | H26 | 120.0° | 120.0° |
| C28 | C26 | H25 | H24 | 120.0° | 120.1° |
| C28 | C26 | H26 | H24 | 120.0° | 120.1° |
| C26 | C28 | H30 | H31 | 117.9° | 120.0° |
| C01 | C02 | C05 | H02 | 180.0° | 180.0° |
| C02 | C01 | C04 | H01 | 180.0° | 179.7° |
| C02 | C01 | C04 | C09 | 2.1° | 0.3° |
| C01 | C02 | C05 | C11 | 0.5° | 0.1° |
| C02 | C01 | C04 | H04 | 177.8° | 179.7° |
| C01 | C02 | C05 | H05 | 179.5° | 180.0° |
| C05 | C02 | C01 | C04 | 0.5° | 0.1° |
| C02 | C05 | C11 | H05 | 180.0° | 180.0° |
| C02 | C05 | C11 | C09 | 0.0° | 0.1° |
| C02 | C05 | C11 | O04 | 177.2° | 179.6° |
| C05 | C02 | C01 | H01 | 179.5° | 179.8° |
| C01 | C04 | C09 | H04 | 180.0° | 180.0° |
| C01 | C04 | C09 | C11 | 2.4° | 0.4° |
| C01 | C04 | C09 | C21 | 175.7° | 179.6° |
| C04 | C01 | C02 | H02 | 179.5° | 179.9° |
| O01 | C13 | N02 | C14 | 178.1° | 176.6° |
| O01 | C13 | N02 | C20 | 1.0° | 3.4° |
| O01 | C13 | C16 | H08 | 54.9° | 82.3° |
| O01 | C13 | C16 | H09 | 63.5° | 37.3° |
| C13 | N02 | C14 | N01 | 4.1° | 10.0° |
| C13 | N02 | C14 | C20 | 177.2° | 180.0° |
| C13 | N02 | C14 | N04 | 179.1° | 170.0° |
| C13 | N02 | C20 | C17 | 68.7° | 63.2° |
| C13 | N02 | C20 | C10 | 55.2° | 57.9° |
| N02 | C13 | C16 | H08 | 126.9° | 97.9° |
| N02 | C13 | C16 | H09 | 114.8° | 142.5° |
| C13 | N02 | C20 | H16 | 167.8° | 176.9° |
| C04 | C09 | C11 | C05 | 1.2° | 0.3° |
| C04 | C09 | C11 | C21 | 173.5° | 179.2° |
| C04 | C09 | C11 | O04 | 175.8° | 179.8° |
| C04 | C09 | C21 | N03 | 48.7° | 42.2° |
| C04 | C09 | C21 | C18 | 179.9° | 162.3° |
| C09 | C04 | C01 | H01 | 177.9° | 180.0° |
| C04 | C09 | C21 | H17 | 68.3° | 77.7° |
| N01 | C14 | N02 | N04 | 176.8° | 180.0° |
| N01 | C14 | N02 | C20 | 178.7° | 170.0° |
| N01 | C14 | N04 | H37 | 177.0° | 174.2° |
| C05 | C11 | C09 | O04 | 177.1° | 179.5° |
| C05 | C11 | C09 | C21 | 174.7° | 179.5° |
| C05 | C11 | O04 | C23 | 151.4° | 162.8° |
| C11 | C05 | C02 | H02 | 179.5° | 180.0° |
| C14 | N02 | C20 | C17 | 114.0° | 116.8° |
| C14 | N02 | C20 | C10 | 122.1° | 122.1° |
| C14 | N02 | C20 | H16 | 9.4° | 3.1° |
| N02 | C14 | N01 | H34 | 172.7° | 141.5° |
| N02 | C14 | N04 | H37 | 0.0° | 5.8° |
| C20 | N02 | C14 | N04 | 1.9° | 10.0° |
| N02 | C20 | C10 | C07 | 43.7° | 42.1° |
| N02 | C20 | C17 | C10 | 118.4° | 121.3° |
| N02 | C20 | C17 | H16 | 124.3° | 119.9° |
| N02 | C20 | C17 | C19 | 145.9° | 168.3° |
| N02 | C20 | C10 | H16 | 113.9° | 119.7° |
| N02 | C20 | C10 | C12 | 134.4° | 137.3° |
| N02 | C20 | C17 | H11 | 26.2° | 70.8° |
| N02 | C20 | C17 | H10 | 94.4° | 49.8° |
| N04 | C14 | N01 | H34 | 4.3° | 38.5° |
| C11 | C09 | C21 | N03 | 138.3° | 138.6° |
| C11 | C09 | C21 | C18 | 7.1° | 18.5° |
| C09 | C11 | O04 | C23 | 25.5° | 17.7° |
| C11 | C09 | C04 | H04 | 177.6° | 179.6° |
| C09 | C11 | C05 | H05 | 180.0° | 179.9° |
| C11 | C09 | C21 | H17 | 104.7° | 101.5° |
| C21 | C09 | C11 | O04 | 2.3° | 1.1° |
| C09 | C21 | N03 | C15 | 99.0° | 85.0° |
| C09 | C21 | N03 | C18 | 130.2° | 120.3° |
| C09 | C21 | N03 | H17 | 116.2° | 119.9° |
| C09 | C21 | C18 | H17 | 112.8° | 120.1° |
| C09 | C21 | C18 | C23 | 26.1° | 48.7° |
| C21 | C09 | C04 | H04 | 4.2° | 0.4° |
| C09 | C21 | C18 | H12 | 146.1° | 167.9° |
| C09 | C21 | C18 | H13 | 94.0° | 71.5° |
| C09 | C21 | N03 | H35 | 81.0° | 95.0° |
| O02 | C15 | C08 | N03 | 172.4° | 180.0° |
| O02 | C15 | C08 | C07 | 156.4° | 0.0° |
| O02 | C15 | C08 | C03 | 24.6° | 179.9° |
| O02 | C15 | N03 | C21 | 6.4° | 0.0° |
| O02 | C15 | N03 | H35 | 173.6° | 180.0° |
| C11 | O04 | C23 | C24 | 71.1° | 70.1° |
| C11 | O04 | C23 | C18 | 45.6° | 49.5° |
| C11 | O04 | C23 | C25 | 165.2° | 169.2° |
| O04 | C11 | C05 | H05 | 2.8° | 0.4° |
| C15 | C08 | C07 | C03 | 179.0° | 180.0° |
| C15 | C08 | C07 | C10 | 177.7° | 179.4° |
| C15 | C08 | C03 | C06 | 177.7° | 179.9° |
| C08 | C15 | N03 | C21 | 178.6° | 180.0° |
| C15 | C08 | C03 | H03 | 2.3° | 0.1° |
| C15 | C08 | C07 | H07 | 2.4° | 0.0° |
| C08 | C15 | N03 | H35 | 1.4° | 0.0° |
| N03 | C15 | C08 | C07 | 31.2° | 180.0° |
| N03 | C15 | C08 | C03 | 147.8° | 0.0° |
| C15 | N03 | C21 | H35 | 180.0° | 180.0° |
| C15 | N03 | C21 | C18 | 130.8° | 154.8° |
| C15 | N03 | C21 | H17 | 17.2° | 34.9° |
| C08 | C07 | C10 | H07 | 180.0° | 179.5° |
| C07 | C08 | C03 | C06 | 1.4° | 0.0° |
| C08 | C07 | C10 | C20 | 179.7° | 179.6° |
| C08 | C07 | C10 | C12 | 2.2° | 1.0° |
| C07 | C08 | C03 | H03 | 178.6° | 179.9° |
| C10 | C07 | C08 | C03 | 1.4° | 0.6° |
| C07 | C10 | C20 | C17 | 172.5° | 162.9° |
| C07 | C10 | C20 | C12 | 178.0° | 179.4° |
| C07 | C10 | C12 | C06 | 3.0° | 0.8° |
| C07 | C10 | C12 | O03 | 178.4° | 179.5° |
| C07 | C10 | C20 | H16 | 70.2° | 77.5° |
| C08 | C03 | C06 | H03 | 180.0° | 179.8° |
| C08 | C03 | C06 | C12 | 2.7° | 0.2° |
| C08 | C03 | C06 | H06 | 177.3° | 179.7° |
| C03 | C08 | C07 | H07 | 178.6° | 179.9° |
| C20 | C17 | C19 | H11 | 119.7° | 120.5° |
| C20 | C17 | C19 | H10 | 119.7° | 119.3° |
| C17 | C20 | C10 | H16 | 117.2° | 119.5° |
| C17 | C20 | C10 | C12 | 5.5° | 16.5° |
| C20 | C17 | C19 | O03 | 52.8° | 64.2° |
| C20 | C17 | H11 | H10 | 120.9° | 120.6° |
| C20 | C17 | C19 | H15 | 174.8° | 175.6° |
| C20 | C17 | C19 | H14 | 69.2° | 55.0° |
| C19 | C17 | C20 | C10 | 27.4° | 47.0° |
| C17 | C19 | O03 | C12 | 45.3° | 49.4° |
| C17 | C19 | O03 | H15 | 122.0° | 120.0° |
| C17 | C19 | O03 | H14 | 122.0° | 119.5° |
| C19 | C17 | H11 | H10 | 120.9° | 119.5° |
| C17 | C19 | H15 | H14 | 113.4° | 120.6° |
| C19 | C17 | C20 | H16 | 89.9° | 71.9° |
| C03 | C06 | C12 | C10 | 3.5° | 0.2° |
| C03 | C06 | C12 | H06 | 180.0° | 179.9° |
| C03 | C06 | C12 | O03 | 179.2° | 179.9° |
| C20 | C10 | C12 | C06 | 178.9° | 179.8° |
| C20 | C10 | C12 | O03 | 3.5° | 0.0° |
| C20 | C10 | C07 | H07 | 0.4° | 0.1° |
| C10 | C20 | C17 | H11 | 92.2° | 167.9° |
| C10 | C20 | C17 | H10 | 147.1° | 71.5° |
| C10 | C12 | C06 | O03 | 175.6° | 179.7° |
| C10 | C12 | O03 | C19 | 14.0° | 17.6° |
| C10 | C12 | C06 | H06 | 176.4° | 179.8° |
| C12 | C10 | C07 | H07 | 177.8° | 179.5° |
| C12 | C10 | C20 | H16 | 111.7° | 103.0° |
| C06 | C12 | O03 | C19 | 161.3° | 162.1° |
| C12 | C06 | C03 | H03 | 177.3° | 180.0° |
| O03 | C12 | C06 | H06 | 0.8° | 0.1° |
| C12 | O03 | C19 | H15 | 167.3° | 169.4° |
| C12 | O03 | C19 | H14 | 76.7° | 70.1° |
| O03 | C19 | C17 | H11 | 66.9° | 175.3° |
| O03 | C19 | C17 | H10 | 172.5° | 55.1° |
| O03 | C19 | H15 | H14 | 113.4° | 120.3° |
| N03 | C21 | C18 | H17 | 115.4° | 119.8° |
| N03 | C21 | C18 | C23 | 157.9° | 168.8° |
| N03 | C21 | C18 | H12 | 82.0° | 72.0° |
| N03 | C21 | C18 | H13 | 37.9° | 48.6° |
| C21 | C18 | C23 | O04 | 42.4° | 65.0° |
| C21 | C18 | C23 | C24 | 78.7° | 54.7° |
| C21 | C18 | C23 | H12 | 120.1° | 119.4° |
| C21 | C18 | C23 | H13 | 120.1° | 119.8° |
| C21 | C18 | C23 | C25 | 164.2° | 175.2° |
| C21 | C18 | H12 | H13 | 119.9° | 120.6° |
| C18 | C21 | N03 | H35 | 49.2° | 25.2° |
| O04 | C23 | C24 | C18 | 118.8° | 118.7° |
| O04 | C23 | C24 | C25 | 125.0° | 120.8° |
| O04 | C23 | C18 | C25 | 121.8° | 119.7° |
| O04 | C23 | C18 | H12 | 162.5° | 175.6° |
| O04 | C23 | C18 | H13 | 77.7° | 54.8° |
| O04 | C23 | C24 | H20 | 180.0° | 178.7° |
| O04 | C23 | C24 | H19 | 60.0° | 61.3° |
| O04 | C23 | C24 | H18 | 60.0° | 58.8° |
| O04 | C23 | C25 | H21 | 180.0° | 58.7° |
| O04 | C23 | C25 | H23 | 60.0° | 61.3° |
| O04 | C23 | C25 | H22 | 60.0° | 178.7° |
| C24 | C23 | C18 | C25 | 117.1° | 120.5° |
| C24 | C23 | C18 | H12 | 41.4° | 64.7° |
| C24 | C23 | C18 | H13 | 161.2° | 174.6° |
| C23 | C24 | H20 | H19 | 120.0° | 120.0° |
| C23 | C24 | H20 | H18 | 120.0° | 120.0° |
| C23 | C24 | H19 | H18 | 120.0° | 120.0° |
| C24 | C23 | C25 | H21 | 54.6° | 179.4° |
| C24 | C23 | C25 | H23 | 174.6° | 59.5° |
| C24 | C23 | C25 | H22 | 65.5° | 60.5° |
| C23 | C18 | H12 | H13 | 119.8° | 121.1° |
| C23 | C18 | C21 | H17 | 86.7° | 71.4° |
| C18 | C23 | C24 | H20 | 61.2° | 60.0° |
| C18 | C23 | C24 | H19 | 178.8° | 180.0° |
| C18 | C23 | C24 | H18 | 58.8° | 59.9° |
| C18 | C23 | C25 | H21 | 59.9° | 60.0° |
| C18 | C23 | C25 | H23 | 60.1° | 180.0° |
| C18 | C23 | C25 | H22 | 179.9° | 60.0° |
| C25 | C23 | C18 | H12 | 75.7° | 55.9° |
| C25 | C23 | C18 | H13 | 44.1° | 64.9° |
| C25 | C23 | C24 | H20 | 55.0° | 60.5° |
| C25 | C23 | C24 | H19 | 65.0° | 59.5° |
| C25 | C23 | C24 | H18 | 175.0° | 179.5° |
| C23 | C25 | H21 | H23 | 120.0° | 119.9° |
| C23 | C25 | H21 | H22 | 120.0° | 120.0° |
| C23 | C25 | H23 | H22 | 120.0° | 120.0° |
| H01 | C01 | C02 | H02 | 0.5° | 0.2° |
| H01 | C01 | C04 | H04 | 2.2° | 0.0° |
| H02 | C02 | C05 | H05 | 0.5° | 0.0° |
| H03 | C03 | C06 | H06 | 2.7° | 0.1° |
| H11 | C17 | C19 | H15 | 55.1° | 55.1° |
| H11 | C17 | C19 | H14 | 171.1° | 65.4° |
| H11 | C17 | C20 | H16 | 150.5° | 49.0° |
| H10 | C17 | C19 | H15 | 65.5° | 65.1° |
| H10 | C17 | C19 | H14 | 50.4° | 174.3° |
| H10 | C17 | C20 | H16 | 29.8° | 169.6° |
| H12 | C18 | C21 | H17 | 33.4° | 47.8° |
| H13 | C18 | C21 | H17 | 153.3° | 168.4° |
| H17 | C21 | N03 | H35 | 162.8° | 145.1° |
| H20 | C24 | H19 | H18 | 120.0° | 120.0° |
| H21 | C25 | H23 | H22 | 120.0° | 120.1° |
| H25 | C26 | H26 | H24 | 120.0° | 119.9° |
| H25 | C26 | C28 | H30 | 59.3° | 173.9° |
| H25 | C26 | C28 | H31 | 59.3° | 66.1° |
| H26 | C26 | C28 | H30 | 179.3° | 54.0° |
| H26 | C26 | C28 | H31 | 60.7° | 173.9° |
| H24 | C26 | C28 | H30 | 60.7° | 66.1° |
| H24 | C26 | C28 | H31 | 179.3° | 53.8° |
| H27 | C27 | H29 | H28 | 120.0° | 120.0° |
| H27 | C27 | C29 | H33 | 59.5° | 54.5° |
| H27 | C27 | C29 | H32 | 59.5° | 174.5° |
| H29 | C27 | C29 | H33 | 60.6° | 65.5° |
| H29 | C27 | C29 | H32 | 179.5° | 54.5° |
| H28 | C27 | C29 | H33 | 179.4° | 174.5° |
| H28 | C27 | C29 | H32 | 60.5° | 65.4° |
