YPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C21 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C07 | sing | 1.53Å | 1.54Å | |
| C14 | C24 | sing | 1.53Å | 1.54Å | |
| C10 | C04 | sing | 1.53Å | 1.54Å | |
| C02 | C11 | sing | 1.51Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.35Å | |
| C04 | N03 | sing | 1.47Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C11 | C25 | sing | 1.53Å | 1.53Å | |
| C11 | C30 | sing | 1.53Å | 1.54Å | |
| N08 | C07 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C30 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | sing | 1.43Å | 1.44Å | |
| O27 | C28 | sing | 1.43Å | 1.44Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å | |
| N08 | H37 | sing | 1.01Å | 1.00Å | |
| N08 | H38 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C19 | C18 | C17 | 119.0° | 120.0° |
| C19 | C18 | H6 | 120.5° | 120.0° |
| C18 | C19 | H7 | 119.9° | 120.0° |
| C19 | C20 | C15 | 121.6° | 120.0° |
| C20 | C19 | H7 | 119.9° | 120.0° |
| C19 | C20 | H24 | 119.2° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C17 | C18 | H6 | 120.5° | 120.0° |
| C18 | C17 | H8 | 119.8° | 120.0° |
| C20 | C15 | C16 | 117.2° | 120.0° |
| C20 | C15 | C13 | 122.4° | 120.0° |
| C15 | C20 | H24 | 119.2° | 120.0° |
| C17 | C16 | C15 | 121.4° | 120.0° |
| C16 | C17 | H8 | 119.8° | 120.0° |
| C17 | C16 | H9 | 119.3° | 120.0° |
| C16 | C15 | C13 | 120.4° | 120.0° |
| C15 | C16 | H9 | 119.3° | 120.0° |
| C15 | C13 | C12 | 109.3° | 109.5° |
| C15 | C13 | C14 | 112.1° | 109.5° |
| C15 | C13 | C21 | 111.2° | 109.5° |
| C13 | C12 | C11 | 111.2° | 109.5° |
| C12 | C13 | C14 | 107.8° | 109.5° |
| C12 | C13 | C21 | 108.5° | 109.5° |
| C13 | C12 | H10 | 109.0° | 109.5° |
| C13 | C12 | H11 | 109.0° | 109.5° |
| C12 | C11 | C02 | 106.6° | 109.5° |
| C12 | C11 | C25 | 109.6° | 109.5° |
| C12 | C11 | C30 | 108.7° | 109.5° |
| C11 | C12 | H10 | 109.0° | 109.5° |
| C11 | C12 | H11 | 109.0° | 109.5° |
| O01 | C02 | C11 | 119.9° | 120.0° |
| O01 | C02 | N03 | 121.9° | 120.0° |
| C14 | C13 | C21 | 107.8° | 109.5° |
| C13 | C14 | C24 | 110.9° | 109.5° |
| C13 | C14 | H22 | 109.1° | 109.6° |
| C13 | C14 | H23 | 109.1° | 109.5° |
| C13 | C21 | C22 | 111.0° | 109.5° |
| C13 | C21 | H25 | 109.1° | 109.5° |
| C13 | C21 | H26 | 109.1° | 109.5° |
| C10 | C09 | C07 | 111.2° | 109.5° |
| C09 | C10 | C04 | 112.0° | 109.5° |
| C09 | C10 | H12 | 108.8° | 109.5° |
| C09 | C10 | H13 | 108.8° | 109.5° |
| C10 | C09 | H20 | 109.0° | 109.5° |
| C10 | C09 | H21 | 109.0° | 109.4° |
| C09 | C07 | N08 | 108.6° | 109.5° |
| C09 | C07 | C06 | 109.9° | 109.5° |
| C09 | C07 | H19 | 109.4° | 109.4° |
| C07 | C09 | H20 | 109.0° | 109.5° |
| C07 | C09 | H21 | 109.0° | 109.5° |
| C14 | C24 | C25 | 109.5° | 109.4° |
| C14 | C24 | C23 | 109.7° | 109.5° |
| C14 | C24 | H3 | 109.3° | 109.5° |
| C24 | C14 | H22 | 109.1° | 109.5° |
| C24 | C14 | H23 | 109.1° | 109.4° |
| C10 | C04 | N03 | 109.2° | 109.5° |
| C10 | C04 | C05 | 110.8° | 109.5° |
| C04 | C10 | H12 | 108.8° | 109.4° |
| C04 | C10 | H13 | 108.8° | 109.5° |
| C10 | C04 | H14 | 108.3° | 109.5° |
| C11 | C02 | N03 | 118.2° | 120.0° |
| C02 | C11 | C25 | 115.3° | 109.5° |
| C02 | C11 | C30 | 107.0° | 109.4° |
| C02 | N03 | C04 | 120.9° | 120.0° |
| C02 | N03 | H36 | 119.6° | 120.0° |
| N03 | C04 | C05 | 111.1° | 109.5° |
| N03 | C04 | H14 | 109.1° | 109.4° |
| C04 | N03 | H36 | 119.5° | 120.0° |
| C04 | C05 | C06 | 111.1° | 109.4° |
| C05 | C04 | H14 | 108.3° | 109.5° |
| C04 | C05 | H15 | 109.1° | 109.4° |
| C04 | C05 | H16 | 109.1° | 109.5° |
| C25 | C11 | C30 | 109.4° | 109.5° |
| C11 | C25 | C24 | 109.0° | 109.5° |
| C11 | C25 | H1 | 109.6° | 109.5° |
| C11 | C25 | H2 | 109.6° | 109.5° |
| C11 | C30 | C22 | 110.2° | 109.5° |
| C11 | C30 | H34 | 109.3° | 109.5° |
| C11 | C30 | H35 | 109.3° | 109.5° |
| N08 | C07 | C06 | 109.2° | 109.5° |
| N08 | C07 | H19 | 110.3° | 109.5° |
| C07 | N08 | H37 | 109.5° | 111.0° |
| C07 | N08 | H38 | 109.5° | 111.0° |
| C25 | C24 | C23 | 109.8° | 109.5° |
| C24 | C25 | H1 | 109.6° | 109.5° |
| C24 | C25 | H2 | 109.6° | 109.5° |
| C25 | C24 | H3 | 109.3° | 109.5° |
| C21 | C22 | C30 | 109.4° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.5° |
| C21 | C22 | C26 | 110.2° | 109.5° |
| C22 | C21 | H25 | 109.1° | 109.4° |
| C22 | C21 | H26 | 109.1° | 109.5° |
| C07 | C06 | C05 | 111.3° | 109.5° |
| C07 | C06 | H17 | 109.0° | 109.4° |
| C07 | C06 | H18 | 109.0° | 109.5° |
| C06 | C07 | H19 | 109.4° | 109.5° |
| C24 | C23 | C22 | 109.5° | 109.5° |
| C23 | C24 | H3 | 109.3° | 109.5° |
| C24 | C23 | H4 | 109.5° | 109.5° |
| C24 | C23 | H5 | 109.5° | 109.5° |
| C06 | C05 | H15 | 109.1° | 109.5° |
| C06 | C05 | H16 | 109.1° | 109.5° |
| C05 | C06 | H17 | 109.0° | 109.5° |
| C05 | C06 | H18 | 109.0° | 109.5° |
| C30 | C22 | C23 | 108.8° | 109.5° |
| C30 | C22 | C26 | 109.1° | 109.5° |
| C22 | C30 | H34 | 109.3° | 109.4° |
| C22 | C30 | H35 | 109.3° | 109.4° |
| C23 | C22 | C26 | 109.8° | 109.5° |
| C22 | C23 | H4 | 109.5° | 109.5° |
| C22 | C23 | H5 | 109.4° | 109.5° |
| C22 | C26 | O27 | 108.6° | 109.4° |
| C22 | C26 | H27 | 109.7° | 109.5° |
| C22 | C26 | H28 | 109.7° | 109.5° |
| C26 | O27 | C28 | 115.4° | 114.0° |
| O27 | C26 | H27 | 109.7° | 109.5° |
| O27 | C26 | H28 | 109.7° | 109.5° |
| O27 | C28 | C29 | 106.6° | 109.4° |
| O27 | C28 | H29 | 110.2° | 109.5° |
| O27 | C28 | H30 | 110.2° | 109.5° |
| C29 | C28 | H29 | 110.2° | 109.5° |
| C29 | C28 | H30 | 110.2° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.4° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.4° |
| H1 | C25 | H2 | 109.5° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H15 | C05 | H16 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H20 | C09 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.4° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H33 | 109.4° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H37 | N08 | H38 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | H6 | 180.0° | 179.6° |
| C18 | C19 | C20 | C15 | 0.1° | 0.5° |
| C19 | C18 | C17 | C16 | 0.4° | 0.4° |
| C19 | C18 | C17 | H8 | 179.6° | 179.5° |
| C18 | C19 | C20 | H24 | 179.9° | 179.9° |
| C20 | C19 | C18 | C17 | 0.3° | 0.1° |
| C19 | C20 | C15 | H24 | 180.0° | 179.4° |
| C19 | C20 | C15 | C16 | 0.3° | 0.8° |
| C19 | C20 | C15 | C13 | 179.6° | 179.7° |
| C20 | C19 | C18 | H6 | 179.8° | 179.7° |
| C18 | C17 | C16 | H8 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.2° | 0.1° |
| C17 | C18 | C19 | H7 | 179.7° | 180.0° |
| C18 | C17 | C16 | H9 | 179.8° | 179.9° |
| C20 | C15 | C16 | C17 | 0.2° | 0.5° |
| C20 | C15 | C16 | C13 | 179.4° | 179.5° |
| C20 | C15 | C13 | C12 | 48.1° | 120.5° |
| C20 | C15 | C13 | C14 | 71.4° | 119.5° |
| C20 | C15 | C13 | C21 | 167.8° | 0.6° |
| C15 | C20 | C19 | H7 | 179.9° | 179.5° |
| C20 | C15 | C16 | H9 | 179.9° | 179.3° |
| C17 | C16 | C15 | H9 | 180.0° | 179.8° |
| C17 | C16 | C15 | C13 | 179.5° | 180.0° |
| C16 | C17 | C18 | H6 | 179.6° | 180.0° |
| C16 | C15 | C13 | C12 | 132.6° | 60.0° |
| C16 | C15 | C13 | C14 | 107.9° | 60.0° |
| C16 | C15 | C13 | C21 | 12.8° | 179.9° |
| C15 | C16 | C17 | H8 | 179.8° | 179.8° |
| C16 | C15 | C20 | H24 | 179.7° | 179.8° |
| C15 | C13 | C12 | C14 | 122.1° | 120.0° |
| C15 | C13 | C12 | C21 | 121.4° | 120.0° |
| C15 | C13 | C12 | C11 | 179.8° | 180.0° |
| C15 | C13 | C14 | C21 | 122.7° | 120.0° |
| C15 | C13 | C14 | C24 | 178.7° | 180.0° |
| C15 | C13 | C21 | C22 | 178.0° | 180.0° |
| C13 | C15 | C16 | H9 | 0.5° | 0.2° |
| C15 | C13 | C12 | H10 | 60.0° | 60.0° |
| C15 | C13 | C12 | H11 | 59.5° | 60.0° |
| C15 | C13 | C14 | H22 | 61.1° | 60.0° |
| C15 | C13 | C14 | H23 | 58.5° | 60.0° |
| C13 | C15 | C20 | H24 | 0.4° | 0.3° |
| C15 | C13 | C21 | H25 | 57.8° | 60.0° |
| C15 | C13 | C21 | H26 | 61.7° | 60.0° |
| C13 | C12 | C11 | H10 | 120.3° | 120.0° |
| C13 | C12 | C11 | H11 | 120.3° | 120.0° |
| C12 | C13 | C14 | C21 | 117.0° | 120.0° |
| C12 | C13 | C14 | C24 | 58.4° | 60.1° |
| C13 | C12 | C11 | C02 | 174.6° | 180.0° |
| C13 | C12 | C11 | C25 | 60.0° | 60.0° |
| C13 | C12 | C11 | C30 | 59.6° | 60.0° |
| C12 | C13 | C21 | C22 | 57.9° | 60.0° |
| C13 | C12 | H10 | H11 | 119.2° | 120.0° |
| C12 | C13 | C14 | H22 | 178.6° | 60.0° |
| C12 | C13 | C14 | H23 | 61.8° | 180.0° |
| C12 | C13 | C21 | H25 | 62.4° | 60.0° |
| C12 | C13 | C21 | H26 | 178.1° | 180.0° |
| C12 | C11 | C02 | O01 | 21.8° | 120.0° |
| C11 | C12 | C13 | C14 | 58.1° | 60.0° |
| C11 | C12 | C13 | C21 | 58.4° | 60.0° |
| C12 | C11 | C02 | C25 | 121.9° | 120.0° |
| C12 | C11 | C02 | C30 | 116.2° | 120.0° |
| C12 | C11 | C02 | N03 | 158.1° | 60.0° |
| C12 | C11 | C25 | C30 | 119.1° | 120.0° |
| C12 | C11 | C25 | C24 | 59.7° | 60.0° |
| C12 | C11 | C30 | C22 | 59.8° | 60.0° |
| C12 | C11 | C25 | H1 | 60.2° | 180.0° |
| C12 | C11 | C25 | H2 | 179.6° | 60.1° |
| C11 | C12 | H10 | H11 | 119.2° | 120.0° |
| C12 | C11 | C30 | H34 | 179.9° | 179.9° |
| C12 | C11 | C30 | H35 | 60.3° | 60.0° |
| O01 | C02 | C11 | N03 | 179.8° | 180.0° |
| O01 | C02 | N03 | C04 | 0.3° | 0.0° |
| O01 | C02 | C11 | C25 | 143.7° | 120.0° |
| O01 | C02 | C11 | C30 | 94.4° | 0.0° |
| O01 | C02 | N03 | H36 | 179.6° | 180.0° |
| C13 | C14 | C24 | H22 | 120.2° | 120.1° |
| C13 | C14 | C24 | H23 | 120.2° | 120.0° |
| C13 | C14 | C24 | C25 | 60.5° | 60.0° |
| C14 | C13 | C21 | C22 | 58.7° | 60.0° |
| C13 | C14 | C24 | C23 | 60.0° | 59.9° |
| C13 | C14 | C24 | H3 | 179.8° | 180.0° |
| C14 | C13 | C12 | H10 | 62.1° | 180.0° |
| C14 | C13 | C12 | H11 | 178.4° | 60.0° |
| C13 | C14 | H22 | H23 | 119.3° | 120.0° |
| C14 | C13 | C21 | H25 | 178.9° | 180.0° |
| C14 | C13 | C21 | H26 | 61.5° | 60.0° |
| C21 | C13 | C14 | C24 | 58.6° | 60.0° |
| C13 | C21 | C22 | H25 | 120.2° | 120.0° |
| C13 | C21 | C22 | H26 | 120.2° | 120.0° |
| C13 | C21 | C22 | C30 | 59.1° | 60.0° |
| C13 | C21 | C22 | C23 | 60.0° | 60.0° |
| C13 | C21 | C22 | C26 | 179.1° | 180.0° |
| C21 | C13 | C12 | H10 | 178.7° | 60.0° |
| C21 | C13 | C12 | H11 | 61.8° | 180.0° |
| C21 | C13 | C14 | H22 | 61.6° | 180.0° |
| C21 | C13 | C14 | H23 | 178.8° | 60.0° |
| C13 | C21 | H25 | H26 | 119.3° | 120.0° |
| C10 | C09 | C07 | H20 | 120.2° | 120.0° |
| C10 | C09 | C07 | H21 | 120.2° | 120.0° |
| C09 | C10 | C04 | H12 | 120.4° | 120.0° |
| C09 | C10 | C04 | H13 | 120.4° | 120.0° |
| C09 | C10 | C04 | N03 | 176.8° | 180.0° |
| C09 | C10 | C04 | C05 | 54.1° | 60.0° |
| C10 | C09 | C07 | N08 | 175.3° | 180.0° |
| C10 | C09 | C07 | C06 | 55.9° | 59.9° |
| C09 | C10 | H12 | H13 | 118.8° | 120.0° |
| C09 | C10 | C04 | H14 | 64.5° | 60.0° |
| C10 | C09 | C07 | H19 | 64.3° | 60.0° |
| C10 | C09 | H20 | H21 | 119.2° | 119.9° |
| C07 | C09 | C10 | C04 | 55.1° | 60.0° |
| C09 | C07 | N08 | C06 | 119.8° | 120.0° |
| C09 | C07 | N08 | H19 | 119.9° | 119.9° |
| C09 | C07 | C06 | H19 | 120.2° | 119.9° |
| C09 | C07 | C06 | C05 | 57.5° | 60.0° |
| C07 | C09 | C10 | H12 | 175.5° | 60.0° |
| C07 | C09 | C10 | H13 | 65.3° | 180.0° |
| C09 | C07 | C06 | H17 | 177.8° | 60.0° |
| C09 | C07 | C06 | H18 | 62.8° | 180.0° |
| C07 | C09 | H20 | H21 | 119.2° | 120.0° |
| C09 | C07 | N08 | H37 | 180.0° | 60.0° |
| C09 | C07 | N08 | H38 | 60.0° | 64.0° |
| C14 | C24 | C25 | C11 | 60.1° | 60.0° |
| C14 | C24 | C25 | C23 | 120.5° | 120.0° |
| C14 | C24 | C25 | H3 | 119.7° | 120.0° |
| C14 | C24 | C23 | H3 | 119.8° | 120.0° |
| C14 | C24 | C23 | C22 | 59.5° | 60.0° |
| C14 | C24 | C25 | H1 | 59.8° | 180.0° |
| C14 | C24 | C25 | H2 | 180.0° | 60.1° |
| C14 | C24 | C23 | H4 | 60.5° | 60.0° |
| C14 | C24 | C23 | H5 | 179.5° | 180.0° |
| C24 | C14 | H22 | H23 | 119.3° | 119.9° |
| C10 | C04 | N03 | C02 | 124.6° | 155.0° |
| C10 | C04 | N03 | C05 | 122.5° | 120.0° |
| C10 | C04 | N03 | H14 | 118.2° | 120.0° |
| C10 | C04 | C05 | H14 | 118.6° | 120.1° |
| C10 | C04 | C05 | C06 | 55.1° | 60.0° |
| C04 | C10 | H12 | H13 | 118.8° | 120.0° |
| C10 | C04 | C05 | H15 | 175.4° | 180.0° |
| C10 | C04 | C05 | H16 | 65.1° | 60.0° |
| C04 | C10 | C09 | H20 | 175.3° | 180.0° |
| C04 | C10 | C09 | H21 | 65.2° | 60.0° |
| C10 | C04 | N03 | H36 | 55.4° | 25.0° |
| C11 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | C11 | C25 | C30 | 120.6° | 120.0° |
| C02 | C11 | C25 | C24 | 180.0° | 180.0° |
| C02 | C11 | C30 | C22 | 174.6° | 180.0° |
| C02 | C11 | C25 | H1 | 60.1° | 60.0° |
| C02 | C11 | C25 | H2 | 60.1° | 60.0° |
| C02 | C11 | C12 | H10 | 65.1° | 60.0° |
| C02 | C11 | C12 | H11 | 54.4° | 60.0° |
| C02 | C11 | C30 | H34 | 65.3° | 60.0° |
| C02 | C11 | C30 | H35 | 54.4° | 60.1° |
| C11 | C02 | N03 | H36 | 0.2° | 0.0° |
| C02 | N03 | C04 | H36 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 113.0° | 85.0° |
| N03 | C02 | C11 | C25 | 36.2° | 60.0° |
| N03 | C02 | C11 | C30 | 85.8° | 180.0° |
| C02 | N03 | C04 | H14 | 6.4° | 35.0° |
| N03 | C04 | C05 | H14 | 119.8° | 120.0° |
| N03 | C04 | C05 | C06 | 176.7° | 180.0° |
| N03 | C04 | C10 | H12 | 62.8° | 60.0° |
| N03 | C04 | C10 | H13 | 56.5° | 60.0° |
| N03 | C04 | C05 | H15 | 63.1° | 60.0° |
| N03 | C04 | C05 | H16 | 56.4° | 60.0° |
| C04 | C05 | C06 | C07 | 57.5° | 60.0° |
| C04 | C05 | C06 | H15 | 120.3° | 120.0° |
| C04 | C05 | C06 | H16 | 120.2° | 120.0° |
| C05 | C04 | C10 | H12 | 174.5° | 60.0° |
| C05 | C04 | C10 | H13 | 66.2° | 180.0° |
| C04 | C05 | H15 | H16 | 119.3° | 120.0° |
| C04 | C05 | C06 | H17 | 177.7° | 60.0° |
| C04 | C05 | C06 | H18 | 62.8° | 180.0° |
| C05 | C04 | N03 | H36 | 67.1° | 95.0° |
| C11 | C25 | C24 | H1 | 119.9° | 120.0° |
| C11 | C25 | C24 | H2 | 119.9° | 120.0° |
| C11 | C25 | C24 | C23 | 60.3° | 60.0° |
| C25 | C11 | C30 | C22 | 59.9° | 60.0° |
| C11 | C25 | H1 | H2 | 120.2° | 120.0° |
| C11 | C25 | C24 | H3 | 179.8° | 180.0° |
| C25 | C11 | C12 | H10 | 60.3° | 180.0° |
| C25 | C11 | C12 | H11 | 179.8° | 60.0° |
| C25 | C11 | C30 | H34 | 60.2° | 60.0° |
| C25 | C11 | C30 | H35 | 180.0° | 180.0° |
| C30 | C11 | C25 | C24 | 59.4° | 60.0° |
| C11 | C30 | C22 | C21 | 59.8° | 60.0° |
| C11 | C30 | C22 | H34 | 120.1° | 120.0° |
| C11 | C30 | C22 | H35 | 120.1° | 120.0° |
| C11 | C30 | C22 | C23 | 59.8° | 60.0° |
| C11 | C30 | C22 | C26 | 179.6° | 180.0° |
| C30 | C11 | C25 | H1 | 179.3° | 60.0° |
| C30 | C11 | C25 | H2 | 60.5° | 180.0° |
| C30 | C11 | C12 | H10 | 179.9° | 60.0° |
| C30 | C11 | C12 | H11 | 60.7° | 180.0° |
| C11 | C30 | H34 | H35 | 119.7° | 120.1° |
| N08 | C07 | C06 | H19 | 120.8° | 120.0° |
| N08 | C07 | C06 | C05 | 176.5° | 180.0° |
| N08 | C07 | C06 | H17 | 63.2° | 60.0° |
| N08 | C07 | C06 | H18 | 56.2° | 60.0° |
| N08 | C07 | C09 | H20 | 64.5° | 60.0° |
| N08 | C07 | C09 | H21 | 55.0° | 60.0° |
| C07 | N08 | H37 | H38 | 120.0° | 124.0° |
| C25 | C24 | C23 | H3 | 119.8° | 120.0° |
| C25 | C24 | C23 | C22 | 60.9° | 60.0° |
| C24 | C25 | H1 | H2 | 120.2° | 120.0° |
| C25 | C24 | C23 | H4 | 179.1° | 180.0° |
| C25 | C24 | C23 | H5 | 59.1° | 60.0° |
| C25 | C24 | C14 | H22 | 179.2° | 60.1° |
| C25 | C24 | C14 | H23 | 59.7° | 180.0° |
| C21 | C22 | C23 | C24 | 59.4° | 60.0° |
| C21 | C22 | C30 | C23 | 119.6° | 120.0° |
| C21 | C22 | C30 | C26 | 120.6° | 120.0° |
| C21 | C22 | C23 | C26 | 121.2° | 120.0° |
| C21 | C22 | C26 | O27 | 56.2° | 180.0° |
| C21 | C22 | C23 | H4 | 60.6° | 60.0° |
| C21 | C22 | C23 | H5 | 179.5° | 180.0° |
| C22 | C21 | H25 | H26 | 119.3° | 120.0° |
| C21 | C22 | C26 | H27 | 176.1° | 60.0° |
| C21 | C22 | C26 | H28 | 63.6° | 60.0° |
| C21 | C22 | C30 | H34 | 179.9° | 180.0° |
| C21 | C22 | C30 | H35 | 60.3° | 60.0° |
| C07 | C06 | C05 | H17 | 120.3° | 120.0° |
| C07 | C06 | C05 | H18 | 120.3° | 120.0° |
| C07 | C06 | C05 | H15 | 177.7° | 180.0° |
| C07 | C06 | C05 | H16 | 62.8° | 60.0° |
| C07 | C06 | H17 | H18 | 119.2° | 120.0° |
| C06 | C07 | C09 | H20 | 176.2° | 180.0° |
| C06 | C07 | C09 | H21 | 64.3° | 60.0° |
| C06 | C07 | N08 | H37 | 60.2° | 180.0° |
| C06 | C07 | N08 | H38 | 179.8° | 56.0° |
| C24 | C23 | C22 | C30 | 60.1° | 60.0° |
| C24 | C23 | C22 | H4 | 120.0° | 120.0° |
| C24 | C23 | C22 | H5 | 120.0° | 120.0° |
| C24 | C23 | C22 | C26 | 179.4° | 180.0° |
| C23 | C24 | C25 | H1 | 179.7° | 60.0° |
| C23 | C24 | C25 | H2 | 59.6° | 180.0° |
| C24 | C23 | H4 | H5 | 120.0° | 120.0° |
| C23 | C24 | C14 | H22 | 60.2° | 180.0° |
| C23 | C24 | C14 | H23 | 179.7° | 60.0° |
| C06 | C05 | C04 | H14 | 63.5° | 60.0° |
| C06 | C05 | H15 | H16 | 119.3° | 120.1° |
| C05 | C06 | H17 | H18 | 119.2° | 120.0° |
| C05 | C06 | C07 | H19 | 62.7° | 59.9° |
| C30 | C22 | C23 | C26 | 119.3° | 120.0° |
| C30 | C22 | C26 | O27 | 176.3° | 60.0° |
| C30 | C22 | C23 | H4 | 179.9° | 180.0° |
| C30 | C22 | C23 | H5 | 60.0° | 60.0° |
| C30 | C22 | C21 | H25 | 61.1° | 60.0° |
| C30 | C22 | C21 | H26 | 179.3° | 179.9° |
| C30 | C22 | C26 | H27 | 63.8° | 60.0° |
| C30 | C22 | C26 | H28 | 56.5° | 180.0° |
| C22 | C30 | H34 | H35 | 119.7° | 120.0° |
| C23 | C22 | C26 | O27 | 64.5° | 60.0° |
| C22 | C23 | C24 | H3 | 179.3° | 180.0° |
| C22 | C23 | H4 | H5 | 120.0° | 120.0° |
| C23 | C22 | C21 | H25 | 179.8° | 180.0° |
| C23 | C22 | C21 | H26 | 60.2° | 60.0° |
| C23 | C22 | C26 | H27 | 55.3° | 180.0° |
| C23 | C22 | C26 | H28 | 175.6° | 60.0° |
| C23 | C22 | C30 | H34 | 60.3° | 60.0° |
| C23 | C22 | C30 | H35 | 179.9° | 180.0° |
| C22 | C26 | O27 | H27 | 119.9° | 120.0° |
| C22 | C26 | O27 | H28 | 119.8° | 120.0° |
| C22 | C26 | O27 | C28 | 179.0° | 180.0° |
| C26 | C22 | C23 | H4 | 60.6° | 60.0° |
| C26 | C22 | C23 | H5 | 59.4° | 60.0° |
| C26 | C22 | C21 | H25 | 58.8° | 60.0° |
| C26 | C22 | C21 | H26 | 60.7° | 59.9° |
| C22 | C26 | H27 | H28 | 120.4° | 120.0° |
| C26 | C22 | C30 | H34 | 59.5° | 60.0° |
| C26 | C22 | C30 | H35 | 60.3° | 60.0° |
| C26 | O27 | C28 | C29 | 177.6° | 180.0° |
| O27 | C26 | H27 | H28 | 120.4° | 120.0° |
| C26 | O27 | C28 | H29 | 58.1° | 60.0° |
| C26 | O27 | C28 | H30 | 62.8° | 60.0° |
| O27 | C28 | C29 | H29 | 119.6° | 120.0° |
| O27 | C28 | C29 | H30 | 119.5° | 120.0° |
| C28 | O27 | C26 | H27 | 61.1° | 60.0° |
| C28 | O27 | C26 | H28 | 59.1° | 60.0° |
| O27 | C28 | H29 | H30 | 121.3° | 120.0° |
| O27 | C28 | C29 | H31 | 180.0° | 60.0° |
| O27 | C28 | C29 | H32 | 60.0° | 60.0° |
| O27 | C28 | C29 | H33 | 60.0° | 180.0° |
| C29 | C28 | H29 | H30 | 121.3° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H32 | H33 | 120.0° | 120.0° |
| H1 | C25 | C24 | H3 | 59.9° | 60.0° |
| H2 | C25 | C24 | H3 | 60.3° | 60.0° |
| H3 | C24 | C23 | H4 | 59.2° | 60.0° |
| H3 | C24 | C23 | H5 | 60.8° | 60.0° |
| H3 | C24 | C14 | H22 | 59.6° | 59.9° |
| H3 | C24 | C14 | H23 | 59.9° | 60.0° |
| H6 | C18 | C19 | H7 | 0.2° | 0.4° |
| H6 | C18 | C17 | H8 | 0.4° | 0.0° |
| H7 | C19 | C20 | H24 | 0.1° | 0.0° |
| H8 | C17 | C16 | H9 | 0.3° | 0.0° |
| H12 | C10 | C04 | H14 | 55.9° | 180.0° |
| H12 | C10 | C09 | H20 | 64.3° | 60.0° |
| H12 | C10 | C09 | H21 | 55.2° | 180.0° |
| H13 | C10 | C04 | H14 | 175.1° | 60.0° |
| H13 | C10 | C09 | H20 | 54.9° | 60.0° |
| H13 | C10 | C09 | H21 | 174.4° | 60.0° |
| H14 | C04 | C05 | H15 | 56.8° | 60.0° |
| H14 | C04 | C05 | H16 | 176.3° | 179.9° |
| H14 | C04 | N03 | H36 | 173.6° | 145.0° |
| H15 | C05 | C06 | H17 | 62.0° | 60.0° |
| H15 | C05 | C06 | H18 | 57.5° | 60.0° |
| H16 | C05 | C06 | H17 | 57.5° | 180.0° |
| H16 | C05 | C06 | H18 | 177.0° | 60.0° |
| H17 | C06 | C07 | H19 | 57.6° | 180.0° |
| H18 | C06 | C07 | H19 | 177.0° | 60.1° |
| H19 | C07 | C09 | H20 | 55.9° | 60.0° |
| H19 | C07 | C09 | H21 | 175.5° | 180.0° |
| H19 | C07 | N08 | H37 | 60.1° | 59.9° |
| H19 | C07 | N08 | H38 | 59.9° | 176.1° |
| H29 | C28 | C29 | H31 | 60.4° | 60.0° |
| H29 | C28 | C29 | H32 | 179.5° | 180.0° |
| H29 | C28 | C29 | H33 | 59.6° | 60.0° |
| H30 | C28 | C29 | H31 | 60.5° | 180.0° |
| H30 | C28 | C29 | H32 | 59.6° | 60.0° |
| H30 | C28 | C29 | H33 | 179.5° | 60.0° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
