YQN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.32Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C10 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| N22 | C21 | sing | 1.35Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.51Å | 1.52Å | |
| C14 | N03 | sing | 1.46Å | 1.46Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C08 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C21 | O29 | doub | 1.21Å | 1.18Å | |
| C04 | N03 | sing | 1.40Å | 1.46Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| O36 | C35 | doub | 1.21Å | 1.19Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C02 | C30 | sing | 1.51Å | 1.51Å | |
| C35 | C30 | sing | 1.52Å | 1.49Å | |
| C35 | N34 | sing | 1.35Å | 1.45Å | |
| C30 | C31 | sing | 1.52Å | 1.49Å | |
| N34 | C33 | sing | 1.34Å | 1.49Å | |
| C31 | N32 | doub | 1.30Å | 1.45Å | |
| C33 | N32 | sing | 1.34Å | 1.49Å | |
| C33 | O37 | doub | 1.22Å | 1.19Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| N34 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C18 | C19 | 121.6° | 120.7° |
| C18 | N17 | C16 | 120.9° | 121.8° |
| N17 | C18 | H23 | 119.2° | 119.7° |
| C18 | C19 | C20 | 119.1° | 119.1° |
| C19 | C18 | H23 | 119.2° | 119.6° |
| C18 | C19 | H24 | 120.4° | 120.4° |
| N17 | C16 | C15 | 120.9° | 120.7° |
| N17 | C16 | H22 | 119.5° | 119.6° |
| C19 | C20 | C15 | 118.1° | 118.5° |
| C19 | C20 | H5 | 120.9° | 120.8° |
| C20 | C19 | H24 | 120.5° | 120.5° |
| C16 | C15 | C20 | 119.3° | 119.2° |
| C16 | C15 | C14 | 119.8° | 120.4° |
| C15 | C16 | H22 | 119.6° | 119.6° |
| C20 | C15 | C14 | 120.9° | 120.4° |
| C15 | C20 | H5 | 121.0° | 120.8° |
| C15 | C14 | C21 | 109.5° | 109.5° |
| C15 | C14 | N03 | 111.5° | 109.5° |
| C15 | C14 | H21 | 108.1° | 109.5° |
| C25 | C24 | C23 | 113.6° | 109.5° |
| C24 | C25 | C26 | 111.0° | 109.5° |
| C25 | C24 | H6 | 108.4° | 109.5° |
| C25 | C24 | H7 | 108.4° | 109.4° |
| C24 | C25 | H26 | 109.1° | 109.5° |
| C24 | C25 | H27 | 109.1° | 109.5° |
| C24 | C23 | N22 | 107.1° | 109.4° |
| C24 | C23 | C28 | 114.5° | 109.4° |
| C23 | C24 | H6 | 108.5° | 109.4° |
| C23 | C24 | H7 | 108.4° | 109.5° |
| C24 | C23 | H25 | 109.0° | 109.4° |
| C25 | C26 | C27 | 111.7° | 109.5° |
| C25 | C26 | H8 | 108.9° | 109.5° |
| C25 | C26 | H9 | 108.9° | 109.5° |
| C26 | C25 | H26 | 109.1° | 109.4° |
| C26 | C25 | H27 | 109.1° | 109.4° |
| C26 | C27 | C28 | 111.2° | 109.4° |
| C27 | C26 | H8 | 108.9° | 109.5° |
| C27 | C26 | H9 | 108.9° | 109.4° |
| C26 | C27 | H28 | 109.1° | 109.5° |
| C26 | C27 | H29 | 109.0° | 109.5° |
| C10 | C08 | C09 | 110.4° | 109.5° |
| C10 | C08 | C07 | 109.1° | 109.5° |
| C10 | C08 | C11 | 109.7° | 109.5° |
| C08 | C10 | H1 | 109.5° | 109.5° |
| C08 | C10 | H2 | 109.5° | 109.5° |
| C08 | C10 | H3 | 109.5° | 109.5° |
| C09 | C08 | C07 | 107.0° | 109.5° |
| C09 | C08 | C11 | 110.1° | 109.4° |
| C08 | C09 | H14 | 109.5° | 109.5° |
| C08 | C09 | H15 | 109.5° | 109.5° |
| C08 | C09 | H16 | 109.4° | 109.4° |
| C23 | N22 | C21 | 120.7° | 120.0° |
| N22 | C23 | C28 | 107.2° | 109.5° |
| N22 | C23 | H25 | 110.1° | 109.5° |
| C23 | N22 | H32 | 119.7° | 120.1° |
| N22 | C21 | C14 | 118.8° | 120.0° |
| N22 | C21 | O29 | 121.3° | 120.0° |
| C21 | N22 | H32 | 119.6° | 120.0° |
| C13 | C12 | C07 | 119.9° | 120.1° |
| C12 | C13 | C04 | 119.9° | 119.9° |
| C12 | C13 | H4 | 120.1° | 120.0° |
| C13 | C12 | H20 | 120.1° | 120.0° |
| C12 | C07 | C08 | 120.3° | 120.0° |
| C12 | C07 | C06 | 120.5° | 120.1° |
| C07 | C12 | H20 | 120.1° | 119.9° |
| C21 | C14 | N03 | 110.2° | 109.5° |
| C14 | C21 | O29 | 119.9° | 119.9° |
| C21 | C14 | H21 | 108.4° | 109.5° |
| C14 | N03 | C04 | 120.2° | 120.0° |
| C14 | N03 | C02 | 118.6° | 120.0° |
| N03 | C14 | H21 | 109.1° | 109.4° |
| C07 | C08 | C11 | 110.6° | 109.5° |
| C08 | C07 | C06 | 119.2° | 119.9° |
| C08 | C11 | H17 | 109.5° | 109.4° |
| C08 | C11 | H18 | 109.5° | 109.5° |
| C08 | C11 | H19 | 109.5° | 109.5° |
| C13 | C04 | N03 | 120.5° | 120.1° |
| C13 | C04 | C05 | 120.0° | 119.8° |
| C04 | C13 | H4 | 120.0° | 120.0° |
| C23 | C28 | C27 | 111.9° | 109.5° |
| C23 | C28 | H10 | 108.9° | 109.5° |
| C23 | C28 | H11 | 108.8° | 109.5° |
| C28 | C23 | H25 | 108.9° | 109.5° |
| C07 | C06 | C05 | 119.7° | 120.1° |
| C07 | C06 | H13 | 120.2° | 120.0° |
| C27 | C28 | H10 | 108.9° | 109.5° |
| C27 | C28 | H11 | 108.9° | 109.4° |
| C28 | C27 | H28 | 109.0° | 109.5° |
| C28 | C27 | H29 | 109.0° | 109.4° |
| N03 | C04 | C05 | 119.5° | 120.1° |
| C04 | N03 | C02 | 121.2° | 120.0° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C04 | C05 | H12 | 120.0° | 120.0° |
| C06 | C05 | H12 | 120.0° | 120.0° |
| C05 | C06 | H13 | 120.2° | 120.0° |
| N03 | C02 | O01 | 120.2° | 120.0° |
| N03 | C02 | C30 | 118.9° | 120.0° |
| O36 | C35 | C30 | 119.8° | 121.5° |
| O36 | C35 | N34 | 120.8° | 121.5° |
| O01 | C02 | C30 | 120.8° | 120.0° |
| C02 | C30 | C35 | 116.3° | 108.1° |
| C02 | C30 | C31 | 123.0° | 108.1° |
| C02 | C30 | H30 | 90.2° | 108.0° |
| C30 | C35 | N34 | 119.3° | 117.0° |
| C35 | C30 | C31 | 120.7° | 116.2° |
| C35 | C30 | H30 | 90.1° | 108.0° |
| C35 | N34 | C33 | 120.2° | 121.2° |
| C35 | N34 | H33 | 119.9° | 119.5° |
| C30 | C31 | N32 | 119.6° | 118.0° |
| C31 | C30 | H30 | 90.2° | 108.1° |
| C30 | C31 | H31 | 120.1° | 121.0° |
| N34 | C33 | N32 | 120.3° | 124.8° |
| N34 | C33 | O37 | 119.2° | 117.6° |
| C33 | N34 | H33 | 119.9° | 119.3° |
| C31 | N32 | C33 | 119.8° | 122.9° |
| N32 | C31 | H31 | 120.2° | 121.1° |
| N32 | C33 | O37 | 120.5° | 117.6° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.4° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H14 | C09 | H16 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C19 | H23 | 180.0° | 179.7° |
| N17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C18 | N17 | C16 | C15 | 0.3° | 0.1° |
| C18 | N17 | C16 | H22 | 179.8° | 180.0° |
| N17 | C18 | C19 | H24 | 179.9° | 180.0° |
| C19 | C18 | N17 | C16 | 0.2° | 0.3° |
| C18 | C19 | C20 | H24 | 180.0° | 179.7° |
| C18 | C19 | C20 | C15 | 0.2° | 0.0° |
| C18 | C19 | C20 | H5 | 179.8° | 180.0° |
| N17 | C16 | C15 | H22 | 180.0° | 180.0° |
| N17 | C16 | C15 | C20 | 0.1° | 0.2° |
| N17 | C16 | C15 | C14 | 179.8° | 180.0° |
| C16 | N17 | C18 | H23 | 179.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.1° | 0.2° |
| C19 | C20 | C15 | H5 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 179.9° | 180.0° |
| C20 | C19 | C18 | H23 | 179.9° | 180.0° |
| C16 | C15 | C20 | C14 | 180.0° | 179.8° |
| C16 | C15 | C14 | C21 | 141.6° | 65.4° |
| C16 | C15 | C14 | N03 | 96.1° | 54.7° |
| C16 | C15 | C20 | H5 | 179.9° | 179.7° |
| C16 | C15 | C14 | H21 | 23.8° | 174.6° |
| C20 | C15 | C14 | C21 | 38.3° | 114.4° |
| C20 | C15 | C14 | N03 | 83.9° | 125.6° |
| C20 | C15 | C14 | H21 | 156.2° | 5.6° |
| C20 | C15 | C16 | H22 | 179.9° | 179.8° |
| C15 | C20 | C19 | H24 | 179.8° | 179.8° |
| C15 | C14 | C21 | N22 | 75.5° | 60.0° |
| C15 | C14 | C21 | N03 | 123.0° | 120.0° |
| C15 | C14 | C21 | H21 | 117.7° | 120.0° |
| C15 | C14 | N03 | H21 | 119.3° | 120.0° |
| C15 | C14 | C21 | O29 | 104.1° | 120.0° |
| C15 | C14 | N03 | C04 | 26.2° | 6.8° |
| C15 | C14 | N03 | C02 | 153.1° | 173.2° |
| C14 | C15 | C20 | H5 | 0.0° | 0.0° |
| C14 | C15 | C16 | H22 | 0.1° | 0.0° |
| C25 | C24 | C23 | H6 | 120.6° | 120.0° |
| C25 | C24 | C23 | H7 | 120.6° | 120.0° |
| C24 | C25 | C26 | H26 | 120.2° | 120.0° |
| C24 | C25 | C26 | H27 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 56.4° | 60.0° |
| C25 | C24 | C23 | N22 | 165.4° | 180.0° |
| C25 | C24 | C23 | C28 | 46.7° | 60.0° |
| C25 | C24 | H6 | H7 | 118.1° | 120.0° |
| C24 | C25 | C26 | H8 | 63.9° | 60.0° |
| C24 | C25 | C26 | H9 | 176.8° | 180.0° |
| C25 | C24 | C23 | H25 | 75.6° | 60.0° |
| C24 | C25 | H26 | H27 | 119.3° | 120.1° |
| C23 | C24 | C25 | C26 | 50.4° | 60.0° |
| C24 | C23 | N22 | C28 | 123.3° | 119.9° |
| C24 | C23 | N22 | H25 | 118.4° | 120.0° |
| C24 | C23 | N22 | C21 | 100.7° | 155.0° |
| C24 | C23 | C28 | H25 | 122.3° | 120.0° |
| C24 | C23 | C28 | C27 | 47.4° | 60.0° |
| C23 | C24 | H6 | H7 | 118.1° | 120.0° |
| C24 | C23 | C28 | H10 | 167.8° | 180.0° |
| C24 | C23 | C28 | H11 | 73.0° | 60.0° |
| C23 | C24 | C25 | H26 | 170.6° | 180.0° |
| C23 | C24 | C25 | H27 | 69.8° | 60.0° |
| C24 | C23 | N22 | H32 | 79.3° | 25.0° |
| C25 | C26 | C27 | H8 | 120.3° | 120.1° |
| C25 | C26 | C27 | H9 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 58.2° | 60.0° |
| C26 | C25 | C24 | H6 | 171.0° | 60.0° |
| C26 | C25 | C24 | H7 | 70.2° | 180.0° |
| C25 | C26 | H8 | H9 | 119.0° | 120.0° |
| C26 | C25 | H26 | H27 | 119.3° | 120.0° |
| C25 | C26 | C27 | H28 | 178.4° | 180.0° |
| C25 | C26 | C27 | H29 | 62.1° | 59.9° |
| C26 | C27 | C28 | C23 | 52.7° | 60.0° |
| C26 | C27 | C28 | H28 | 120.3° | 120.0° |
| C26 | C27 | C28 | H29 | 120.3° | 119.9° |
| C27 | C26 | H8 | H9 | 119.0° | 119.9° |
| C26 | C27 | C28 | H10 | 173.1° | 180.0° |
| C26 | C27 | C28 | H11 | 67.7° | 60.1° |
| C27 | C26 | C25 | H26 | 176.6° | 180.0° |
| C27 | C26 | C25 | H27 | 63.8° | 60.0° |
| C26 | C27 | H28 | H29 | 119.2° | 120.0° |
| C10 | C08 | C09 | C07 | 118.5° | 120.0° |
| C10 | C08 | C09 | C11 | 121.3° | 120.0° |
| C10 | C08 | C07 | C12 | 6.9° | 119.7° |
| C10 | C08 | C07 | C11 | 120.7° | 120.0° |
| C10 | C08 | C07 | C06 | 172.6° | 60.0° |
| C08 | C10 | H1 | H2 | 120.0° | 120.1° |
| C08 | C10 | H1 | H3 | 120.0° | 120.0° |
| C08 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C08 | C09 | H14 | 180.0° | 59.9° |
| C10 | C08 | C09 | H15 | 60.0° | 180.0° |
| C10 | C08 | C09 | H16 | 60.0° | 60.0° |
| C10 | C08 | C11 | H17 | 180.0° | 60.0° |
| C10 | C08 | C11 | H18 | 60.0° | 180.0° |
| C10 | C08 | C11 | H19 | 60.0° | 60.0° |
| C09 | C08 | C07 | C12 | 126.4° | 120.3° |
| C09 | C08 | C07 | C11 | 119.8° | 120.0° |
| C09 | C08 | C07 | C06 | 53.2° | 60.0° |
| C09 | C08 | C10 | H1 | 180.0° | 180.0° |
| C09 | C08 | C10 | H2 | 60.0° | 60.0° |
| C09 | C08 | C10 | H3 | 60.0° | 60.0° |
| C08 | C09 | H14 | H15 | 120.0° | 120.0° |
| C08 | C09 | H14 | H16 | 120.0° | 120.0° |
| C08 | C09 | H15 | H16 | 120.0° | 120.0° |
| C09 | C08 | C11 | H17 | 58.3° | 180.0° |
| C09 | C08 | C11 | H18 | 61.7° | 60.0° |
| C09 | C08 | C11 | H19 | 178.3° | 60.0° |
| C23 | N22 | C21 | H32 | 180.0° | 180.0° |
| C23 | N22 | C21 | C14 | 179.9° | 180.0° |
| N22 | C23 | C28 | H25 | 119.1° | 120.1° |
| N22 | C23 | C28 | C27 | 166.0° | 180.0° |
| C23 | N22 | C21 | O29 | 0.5° | 0.0° |
| N22 | C23 | C24 | H6 | 74.0° | 60.0° |
| N22 | C23 | C24 | H7 | 44.8° | 60.0° |
| N22 | C23 | C28 | H10 | 73.6° | 60.0° |
| N22 | C23 | C28 | H11 | 45.7° | 59.9° |
| N22 | C21 | C14 | O29 | 179.6° | 180.0° |
| N22 | C21 | C14 | N03 | 161.6° | 180.0° |
| C21 | N22 | C23 | C28 | 136.0° | 85.1° |
| N22 | C21 | C14 | H21 | 42.2° | 60.0° |
| C21 | N22 | C23 | H25 | 17.7° | 35.0° |
| C13 | C12 | C07 | H20 | 180.0° | 179.5° |
| C13 | C12 | C07 | C08 | 179.9° | 179.8° |
| C12 | C13 | C04 | H4 | 180.0° | 179.8° |
| C13 | C12 | C07 | C06 | 0.3° | 0.5° |
| C12 | C13 | C04 | N03 | 178.6° | 179.8° |
| C12 | C13 | C04 | C05 | 0.3° | 0.2° |
| C12 | C07 | C08 | C06 | 179.6° | 179.7° |
| C12 | C07 | C08 | C11 | 113.8° | 0.3° |
| C07 | C12 | C13 | C04 | 0.2° | 0.5° |
| C12 | C07 | C06 | C05 | 0.1° | 0.3° |
| C07 | C12 | C13 | H4 | 179.7° | 179.7° |
| C12 | C07 | C06 | H13 | 179.9° | 179.7° |
| C21 | C14 | N03 | H21 | 118.9° | 120.0° |
| C21 | C14 | N03 | C04 | 95.6° | 113.2° |
| C21 | C14 | N03 | C02 | 85.1° | 66.7° |
| C14 | C21 | N22 | H32 | 0.1° | 0.0° |
| C14 | N03 | C04 | C13 | 88.6° | 76.3° |
| N03 | C14 | C21 | O29 | 18.9° | 0.0° |
| C14 | N03 | C04 | C02 | 179.2° | 179.9° |
| C14 | N03 | C04 | C05 | 89.7° | 103.7° |
| C14 | N03 | C02 | O01 | 0.4° | 3.2° |
| C14 | N03 | C02 | C30 | 178.0° | 176.8° |
| C08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C07 | C08 | C10 | H1 | 62.7° | 60.0° |
| C07 | C08 | C10 | H2 | 177.3° | 180.0° |
| C07 | C08 | C10 | H3 | 57.3° | 60.0° |
| C08 | C07 | C06 | H13 | 0.5° | 0.0° |
| C07 | C08 | C09 | H14 | 61.5° | 180.0° |
| C07 | C08 | C09 | H15 | 58.6° | 60.0° |
| C07 | C08 | C09 | H16 | 178.5° | 60.0° |
| C07 | C08 | C11 | H17 | 59.7° | 60.0° |
| C07 | C08 | C11 | H18 | 179.7° | 60.0° |
| C07 | C08 | C11 | H19 | 60.3° | 180.0° |
| C08 | C07 | C12 | H20 | 0.1° | 0.3° |
| C11 | C08 | C07 | C06 | 66.6° | 180.0° |
| C11 | C08 | C10 | H1 | 58.5° | 60.0° |
| C11 | C08 | C10 | H2 | 61.5° | 60.0° |
| C11 | C08 | C10 | H3 | 178.5° | 180.0° |
| C11 | C08 | C09 | H14 | 58.7° | 60.0° |
| C11 | C08 | C09 | H15 | 178.7° | 60.0° |
| C11 | C08 | C09 | H16 | 61.3° | 180.0° |
| C08 | C11 | H17 | H18 | 120.0° | 120.0° |
| C08 | C11 | H17 | H19 | 120.0° | 120.0° |
| C08 | C11 | H18 | H19 | 120.0° | 120.0° |
| C13 | C04 | N03 | C05 | 178.3° | 180.0° |
| C13 | C04 | C05 | C06 | 0.7° | 0.1° |
| C13 | C04 | N03 | C02 | 90.6° | 103.8° |
| C13 | C04 | C05 | H12 | 179.3° | 180.0° |
| C04 | C13 | C12 | H20 | 179.8° | 180.0° |
| C23 | C28 | C27 | H10 | 120.4° | 120.0° |
| C23 | C28 | C27 | H11 | 120.4° | 120.1° |
| C28 | C23 | C24 | H6 | 167.3° | 60.0° |
| C28 | C23 | C24 | H7 | 73.9° | 180.0° |
| C23 | C28 | H10 | H11 | 118.9° | 120.0° |
| C23 | C28 | C27 | H28 | 173.0° | 180.0° |
| C23 | C28 | C27 | H29 | 67.6° | 59.9° |
| C28 | C23 | N22 | H32 | 44.0° | 95.0° |
| C07 | C06 | C05 | C04 | 0.6° | 0.0° |
| C07 | C06 | C05 | H13 | 180.0° | 180.0° |
| C07 | C06 | C05 | H12 | 179.3° | 179.9° |
| C06 | C07 | C12 | H20 | 179.7° | 180.0° |
| C28 | C27 | C26 | H8 | 62.1° | 60.1° |
| C28 | C27 | C26 | H9 | 178.5° | 180.0° |
| C27 | C28 | H10 | H11 | 118.9° | 119.9° |
| C27 | C28 | C23 | H25 | 74.9° | 59.9° |
| C28 | C27 | H28 | H29 | 119.2° | 120.0° |
| O29 | C21 | C14 | H21 | 138.2° | 120.0° |
| O29 | C21 | N22 | H32 | 179.4° | 180.0° |
| N03 | C04 | C05 | C06 | 179.0° | 180.0° |
| C04 | N03 | C02 | O01 | 178.9° | 176.7° |
| C04 | N03 | C02 | C30 | 1.2° | 3.2° |
| N03 | C04 | C13 | H4 | 1.5° | 0.0° |
| N03 | C04 | C05 | H12 | 1.0° | 0.0° |
| C04 | N03 | C14 | H21 | 145.5° | 126.8° |
| C04 | C05 | C06 | H12 | 180.0° | 179.9° |
| C05 | C04 | N03 | C02 | 91.1° | 76.2° |
| C05 | C04 | C13 | H4 | 179.8° | 180.0° |
| C04 | C05 | C06 | H13 | 179.4° | 180.0° |
| N03 | C02 | O01 | C30 | 177.6° | 179.9° |
| N03 | C02 | C30 | C35 | 88.4° | 139.4° |
| N03 | C02 | C30 | C31 | 91.0° | 94.1° |
| C02 | N03 | C14 | H21 | 33.7° | 53.3° |
| N03 | C02 | C30 | H30 | 178.6° | 22.8° |
| O36 | C35 | C30 | C02 | 0.2° | 58.3° |
| O36 | C35 | C30 | N34 | 179.8° | 180.0° |
| O36 | C35 | C30 | C31 | 179.6° | 180.0° |
| O36 | C35 | N34 | C33 | 179.9° | 180.0° |
| O36 | C35 | C30 | H30 | 90.1° | 58.4° |
| O36 | C35 | N34 | H33 | 0.1° | 0.1° |
| O01 | C02 | C30 | C35 | 89.2° | 40.5° |
| O01 | C02 | C30 | C31 | 91.3° | 86.0° |
| O01 | C02 | C30 | H30 | 1.0° | 157.2° |
| C02 | C30 | C35 | C31 | 179.5° | 121.7° |
| C02 | C30 | C35 | H30 | 90.2° | 116.7° |
| C02 | C30 | C35 | N34 | 180.0° | 121.7° |
| C02 | C30 | C31 | H30 | 90.3° | 116.7° |
| C02 | C30 | C31 | N32 | 179.9° | 121.8° |
| C02 | C30 | C31 | H31 | 0.1° | 58.3° |
| C35 | C30 | C31 | H30 | 90.3° | 121.5° |
| C30 | C35 | N34 | C33 | 0.2° | 0.0° |
| C35 | C30 | C31 | N32 | 0.6° | 0.0° |
| C35 | C30 | C31 | H31 | 179.4° | 180.0° |
| C30 | C35 | N34 | H33 | 179.8° | 180.0° |
| N34 | C35 | C30 | C31 | 0.5° | 0.0° |
| C35 | N34 | C33 | H33 | 180.0° | 180.0° |
| C35 | N34 | C33 | N32 | 0.0° | 0.0° |
| C35 | N34 | C33 | O37 | 179.8° | 180.0° |
| N34 | C35 | C30 | H30 | 89.8° | 121.6° |
| C30 | C31 | N32 | H31 | 180.0° | 180.0° |
| C30 | C31 | N32 | C33 | 0.4° | 0.0° |
| N34 | C33 | N32 | C31 | 0.1° | 0.0° |
| N34 | C33 | N32 | O37 | 179.8° | 180.0° |
| C31 | N32 | C33 | O37 | 179.9° | 180.0° |
| N32 | C31 | C30 | H30 | 89.6° | 121.5° |
| C33 | N32 | C31 | H31 | 179.6° | 180.0° |
| N32 | C33 | N34 | H33 | 180.0° | 179.9° |
| O37 | C33 | N34 | H33 | 0.2° | 0.1° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H4 | C13 | C12 | H20 | 0.2° | 0.2° |
| H5 | C20 | C19 | H24 | 0.2° | 0.3° |
| H6 | C24 | C23 | H25 | 45.0° | 180.0° |
| H6 | C24 | C25 | H26 | 68.8° | 60.0° |
| H6 | C24 | C25 | H27 | 50.8° | 179.9° |
| H7 | C24 | C23 | H25 | 163.9° | 60.0° |
| H7 | C24 | C25 | H26 | 50.0° | 60.0° |
| H7 | C24 | C25 | H27 | 169.6° | 60.0° |
| H8 | C26 | C25 | H26 | 56.3° | 60.0° |
| H8 | C26 | C25 | H27 | 175.9° | 180.0° |
| H8 | C26 | C27 | H28 | 58.1° | 59.9° |
| H8 | C26 | C27 | H29 | 177.6° | 180.0° |
| H9 | C26 | C25 | H26 | 63.0° | 60.0° |
| H9 | C26 | C25 | H27 | 56.6° | 60.0° |
| H9 | C26 | C27 | H28 | 61.3° | 60.0° |
| H9 | C26 | C27 | H29 | 58.2° | 60.1° |
| H10 | C28 | C23 | H25 | 45.5° | 60.0° |
| H10 | C28 | C27 | H28 | 66.7° | 60.0° |
| H10 | C28 | C27 | H29 | 52.8° | 60.1° |
| H11 | C28 | C23 | H25 | 164.8° | 180.0° |
| H11 | C28 | C27 | H28 | 52.6° | 60.0° |
| H11 | C28 | C27 | H29 | 172.0° | 180.0° |
| H12 | C05 | C06 | H13 | 0.6° | 0.1° |
| H14 | C09 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| H23 | C18 | C19 | H24 | 0.1° | 0.3° |
| H25 | C23 | N22 | H32 | 162.4° | 144.9° |
| H30 | C30 | C31 | H31 | 90.3° | 58.5° |
