JKL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N22 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C23 | sing | 1.32Å | 1.32Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C08 | sing | 1.51Å | 1.53Å | |
| O06 | C05 | doub | 1.21Å | 1.17Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C05 | N07 | sing | 1.35Å | 1.47Å | |
| O10 | C09 | doub | 1.21Å | 1.20Å | |
| O03 | C02 | sing | 1.43Å | 1.41Å | |
| N07 | C08 | sing | 1.46Å | 1.45Å | |
| N07 | C24 | sing | 1.40Å | 1.47Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C09 | N11 | sing | 1.35Å | 1.46Å | |
| C24 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C30 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| O03 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | C20 | 121.9° | 120.8° |
| C21 | N22 | C23 | 119.3° | 121.7° |
| N22 | C21 | H8 | 119.0° | 119.6° |
| C21 | C20 | C19 | 119.9° | 119.1° |
| C21 | C20 | H7 | 120.0° | 120.4° |
| C20 | C21 | H8 | 119.1° | 119.6° |
| N22 | C23 | C18 | 122.9° | 120.8° |
| N22 | C23 | H24 | 118.6° | 119.6° |
| C20 | C19 | C18 | 117.6° | 118.4° |
| C19 | C20 | H7 | 120.1° | 120.4° |
| C20 | C19 | H23 | 121.2° | 120.9° |
| C23 | C18 | C19 | 118.4° | 119.2° |
| C23 | C18 | C08 | 120.4° | 120.4° |
| C18 | C23 | H24 | 118.5° | 119.6° |
| C19 | C18 | C08 | 121.2° | 120.4° |
| C18 | C19 | H23 | 121.2° | 120.7° |
| C18 | C08 | N07 | 110.8° | 109.5° |
| C18 | C08 | C09 | 101.3° | 109.5° |
| C18 | C08 | H17 | 110.8° | 109.5° |
| O06 | C05 | C04 | 112.1° | 120.0° |
| O06 | C05 | N07 | 122.1° | 120.0° |
| C05 | C04 | C02 | 119.2° | 109.5° |
| C04 | C05 | N07 | 125.5° | 120.0° |
| C05 | C04 | H15 | 107.0° | 109.5° |
| C05 | C04 | H16 | 107.0° | 109.5° |
| C04 | C02 | O03 | 106.3° | 109.5° |
| C04 | C02 | C01 | 109.0° | 109.5° |
| C04 | C02 | H14 | 110.2° | 109.5° |
| C02 | C04 | H15 | 107.0° | 109.5° |
| C02 | C04 | H16 | 107.0° | 109.4° |
| C05 | N07 | C08 | 119.5° | 120.0° |
| C05 | N07 | C24 | 125.9° | 119.9° |
| O10 | C09 | C08 | 120.8° | 120.0° |
| O10 | C09 | N11 | 117.7° | 120.0° |
| O03 | C02 | C01 | 109.0° | 109.5° |
| O03 | C02 | H14 | 111.9° | 109.4° |
| C02 | O03 | H37 | 109.5° | 113.9° |
| C08 | N07 | C24 | 114.6° | 120.0° |
| N07 | C08 | C09 | 110.8° | 109.5° |
| N07 | C08 | H17 | 112.0° | 109.5° |
| N07 | C24 | C25 | 124.5° | 120.1° |
| N07 | C24 | C29 | 116.8° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C25 | C24 | C29 | 118.6° | 119.9° |
| C24 | C25 | H25 | 120.0° | 120.1° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | H9 | 119.6° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C08 | C09 | N11 | 121.5° | 120.0° |
| C09 | C08 | H17 | 110.7° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.4° | 109.5° |
| C02 | C01 | H13 | 109.4° | 109.4° |
| C01 | C02 | H14 | 110.2° | 109.5° |
| C09 | N11 | C12 | 117.9° | 120.0° |
| C09 | N11 | H36 | 121.1° | 120.0° |
| C24 | C29 | C28 | 121.2° | 119.9° |
| C24 | C29 | H26 | 119.4° | 120.1° |
| C26 | C27 | C28 | 119.3° | 120.2° |
| C26 | C27 | C30 | 121.2° | 119.9° |
| C27 | C26 | H9 | 119.6° | 120.0° |
| N11 | C12 | C13 | 107.2° | 109.5° |
| N11 | C12 | C17 | 109.4° | 109.5° |
| N11 | C12 | H18 | 108.6° | 109.5° |
| C12 | N11 | H36 | 121.1° | 120.0° |
| C13 | C12 | C17 | 116.1° | 109.4° |
| C12 | C13 | C14 | 116.1° | 109.5° |
| C12 | C13 | H1 | 107.8° | 109.4° |
| C12 | C13 | H2 | 107.8° | 109.5° |
| C13 | C12 | H18 | 107.7° | 109.5° |
| C12 | C17 | C16 | 113.2° | 109.5° |
| C12 | C17 | H5 | 108.5° | 109.5° |
| C12 | C17 | H6 | 108.5° | 109.4° |
| C17 | C12 | H18 | 107.7° | 109.4° |
| C13 | C14 | C15 | 113.9° | 109.4° |
| C14 | C13 | H1 | 107.8° | 109.5° |
| C14 | C13 | H2 | 107.8° | 109.5° |
| C13 | C14 | H19 | 108.4° | 109.4° |
| C13 | C14 | H20 | 108.4° | 109.4° |
| C29 | C28 | C27 | 120.2° | 120.0° |
| C29 | C28 | H10 | 119.9° | 120.0° |
| C28 | C29 | H26 | 119.4° | 120.0° |
| C31 | C30 | C27 | 110.3° | 109.5° |
| C31 | C30 | C33 | 109.3° | 109.5° |
| C31 | C30 | C32 | 108.3° | 109.5° |
| C30 | C31 | H27 | 109.5° | 109.5° |
| C30 | C31 | H28 | 109.5° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C28 | C27 | C30 | 119.6° | 119.9° |
| C27 | C28 | H10 | 119.9° | 120.0° |
| C27 | C30 | C33 | 109.3° | 109.5° |
| C27 | C30 | C32 | 110.9° | 109.5° |
| C14 | C15 | C16 | 111.9° | 109.5° |
| C14 | C15 | H3 | 108.9° | 109.4° |
| C14 | C15 | H4 | 108.9° | 109.5° |
| C15 | C14 | H19 | 108.3° | 109.5° |
| C15 | C14 | H20 | 108.4° | 109.5° |
| C17 | C16 | C15 | 113.8° | 109.5° |
| C16 | C17 | H5 | 108.5° | 109.5° |
| C16 | C17 | H6 | 108.6° | 109.5° |
| C17 | C16 | H21 | 108.4° | 109.5° |
| C17 | C16 | H22 | 108.4° | 109.4° |
| C16 | C15 | H3 | 108.9° | 109.4° |
| C16 | C15 | H4 | 108.9° | 109.5° |
| C15 | C16 | H21 | 108.4° | 109.5° |
| C15 | C16 | H22 | 108.4° | 109.5° |
| C33 | C30 | C32 | 108.6° | 109.5° |
| C30 | C33 | H33 | 109.5° | 109.5° |
| C30 | C33 | H34 | 109.4° | 109.5° |
| C30 | C33 | H35 | 109.5° | 109.5° |
| C30 | C32 | H30 | 109.5° | 109.5° |
| C30 | C32 | H31 | 109.5° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.4° | 109.4° |
| H27 | C31 | H29 | 109.5° | 109.4° |
| H28 | C31 | H29 | 109.5° | 109.4° |
| H30 | C32 | H31 | 109.4° | 109.5° |
| H30 | C32 | H32 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.4° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | C20 | H8 | 180.0° | 179.9° |
| N22 | C21 | C20 | C19 | 0.2° | 0.1° |
| C21 | N22 | C23 | C18 | 0.6° | 0.3° |
| N22 | C21 | C20 | H7 | 179.8° | 179.7° |
| C21 | N22 | C23 | H24 | 179.4° | 179.7° |
| C20 | C21 | N22 | C23 | 0.5° | 0.1° |
| C21 | C20 | C19 | H7 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H23 | 180.0° | 179.7° |
| N22 | C23 | C18 | H24 | 180.0° | 180.0° |
| N22 | C23 | C18 | C19 | 0.3° | 0.5° |
| N22 | C23 | C18 | C08 | 179.7° | 180.0° |
| C23 | N22 | C21 | H8 | 179.5° | 180.0° |
| C20 | C19 | C18 | C23 | 0.0° | 0.5° |
| C20 | C19 | C18 | H23 | 180.0° | 180.0° |
| C20 | C19 | C18 | C08 | 180.0° | 180.0° |
| C19 | C20 | C21 | H8 | 179.8° | 180.0° |
| C23 | C18 | C19 | C08 | 180.0° | 179.5° |
| C23 | C18 | C08 | N07 | 42.3° | 57.9° |
| C23 | C18 | C08 | C09 | 75.3° | 62.1° |
| C23 | C18 | C08 | H17 | 167.2° | 177.9° |
| C23 | C18 | C19 | H23 | 180.0° | 179.4° |
| C19 | C18 | C08 | N07 | 137.7° | 122.6° |
| C19 | C18 | C08 | C09 | 104.7° | 117.4° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C19 | C18 | C08 | H17 | 12.8° | 2.6° |
| C19 | C18 | C23 | H24 | 179.7° | 179.5° |
| C18 | C08 | N07 | C05 | 44.4° | 174.4° |
| C18 | C08 | C09 | O10 | 62.4° | 120.0° |
| C18 | C08 | N07 | C09 | 111.6° | 120.0° |
| C18 | C08 | N07 | H17 | 124.2° | 120.0° |
| C18 | C08 | N07 | C24 | 137.7° | 5.6° |
| C18 | C08 | C09 | H17 | 117.5° | 120.0° |
| C18 | C08 | C09 | N11 | 116.7° | 59.9° |
| C08 | C18 | C19 | H23 | 0.0° | 0.1° |
| C08 | C18 | C23 | H24 | 0.3° | 0.0° |
| O06 | C05 | C04 | N07 | 173.8° | 180.0° |
| O06 | C05 | C04 | C02 | 131.3° | 5.1° |
| O06 | C05 | N07 | C08 | 2.3° | 5.0° |
| O06 | C05 | N07 | C24 | 179.9° | 175.0° |
| O06 | C05 | C04 | H15 | 9.9° | 114.9° |
| O06 | C05 | C04 | H16 | 107.3° | 125.1° |
| C05 | C04 | C02 | H15 | 121.4° | 120.0° |
| C05 | C04 | C02 | H16 | 121.4° | 120.0° |
| C05 | C04 | C02 | O03 | 151.4° | 65.0° |
| C04 | C05 | N07 | C08 | 175.5° | 175.0° |
| C04 | C05 | N07 | C24 | 6.9° | 5.0° |
| C05 | C04 | C02 | C01 | 34.0° | 175.0° |
| C05 | C04 | C02 | H14 | 87.1° | 54.9° |
| C05 | C04 | H15 | H16 | 115.6° | 120.0° |
| C02 | C04 | C05 | N07 | 54.9° | 174.9° |
| C04 | C02 | O03 | C01 | 117.4° | 120.1° |
| C04 | C02 | O03 | H14 | 120.4° | 120.0° |
| C04 | C02 | C01 | H14 | 121.1° | 120.0° |
| C04 | C02 | C01 | H11 | 180.0° | 60.0° |
| C04 | C02 | C01 | H12 | 60.0° | 180.0° |
| C04 | C02 | C01 | H13 | 60.0° | 60.0° |
| C02 | C04 | H15 | H16 | 115.6° | 119.9° |
| C04 | C02 | O03 | H37 | 180.0° | 60.0° |
| C05 | N07 | C08 | C24 | 177.9° | 180.0° |
| C05 | N07 | C24 | C25 | 76.3° | 69.7° |
| C05 | N07 | C08 | C09 | 156.1° | 65.6° |
| C05 | N07 | C24 | C29 | 106.2° | 110.1° |
| N07 | C05 | C04 | H15 | 176.3° | 65.1° |
| N07 | C05 | C04 | H16 | 66.5° | 54.9° |
| C05 | N07 | C08 | H17 | 79.8° | 54.4° |
| O10 | C09 | C08 | N07 | 55.2° | 0.1° |
| O10 | C09 | C08 | N11 | 179.2° | 179.9° |
| O10 | C09 | N11 | C12 | 0.2° | 0.1° |
| O10 | C09 | C08 | H17 | 180.0° | 120.0° |
| O10 | C09 | N11 | H36 | 179.9° | 180.0° |
| O03 | C02 | C01 | H14 | 123.2° | 119.9° |
| O03 | C02 | C01 | H11 | 64.3° | 60.1° |
| O03 | C02 | C01 | H12 | 175.7° | 59.9° |
| O03 | C02 | C01 | H13 | 55.7° | 180.0° |
| O03 | C02 | C04 | H15 | 30.0° | 55.1° |
| O03 | C02 | C04 | H16 | 87.2° | 175.0° |
| C08 | N07 | C24 | C25 | 106.0° | 110.3° |
| N07 | C08 | C09 | H17 | 124.9° | 120.0° |
| N07 | C08 | C09 | N11 | 125.7° | 179.9° |
| C08 | N07 | C24 | C29 | 71.5° | 69.9° |
| N07 | C24 | C25 | C29 | 177.5° | 179.8° |
| N07 | C24 | C25 | C26 | 178.4° | 179.8° |
| C24 | N07 | C08 | C09 | 26.1° | 114.4° |
| N07 | C24 | C29 | C28 | 178.7° | 179.8° |
| C24 | N07 | C08 | H17 | 98.0° | 125.6° |
| N07 | C24 | C25 | H25 | 1.6° | 0.3° |
| N07 | C24 | C29 | H26 | 1.3° | 0.2° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C29 | C28 | 1.1° | 0.0° |
| C24 | C25 | C26 | H9 | 179.8° | 180.0° |
| C25 | C24 | C29 | H26 | 179.0° | 180.0° |
| C26 | C25 | C24 | C29 | 1.0° | 0.0° |
| C25 | C26 | C27 | H9 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.6° | 0.1° |
| C25 | C26 | C27 | C30 | 179.8° | 180.0° |
| C08 | C09 | N11 | C12 | 179.0° | 180.0° |
| C08 | C09 | N11 | H36 | 0.9° | 0.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 119.9° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C04 | H15 | 87.4° | 65.0° |
| C01 | C02 | C04 | H16 | 155.4° | 55.0° |
| C01 | C02 | O03 | H37 | 62.6° | 60.1° |
| C09 | N11 | C12 | H36 | 180.0° | 179.9° |
| C09 | N11 | C12 | C13 | 133.9° | 155.1° |
| C09 | N11 | C12 | C17 | 99.5° | 84.9° |
| N11 | C09 | C08 | H17 | 0.8° | 60.1° |
| C09 | N11 | C12 | H18 | 17.8° | 35.1° |
| C24 | C29 | C28 | H26 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.3° | 0.0° |
| C24 | C29 | C28 | H10 | 179.7° | 180.0° |
| C29 | C24 | C25 | H25 | 179.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.5° | 0.1° |
| C26 | C27 | C30 | C31 | 7.2° | 180.0° |
| C26 | C27 | C28 | C30 | 179.2° | 179.9° |
| C26 | C27 | C30 | C33 | 113.0° | 60.0° |
| C26 | C27 | C30 | C32 | 127.3° | 60.0° |
| C26 | C27 | C28 | H10 | 179.4° | 179.9° |
| C27 | C26 | C25 | H25 | 179.9° | 180.0° |
| N11 | C12 | C13 | C17 | 122.5° | 120.1° |
| N11 | C12 | C13 | H18 | 116.7° | 120.0° |
| N11 | C12 | C17 | H18 | 117.9° | 120.0° |
| N11 | C12 | C13 | C14 | 167.5° | 180.0° |
| N11 | C12 | C17 | C16 | 142.0° | 180.0° |
| N11 | C12 | C13 | H1 | 71.6° | 60.0° |
| N11 | C12 | C13 | H2 | 46.5° | 60.0° |
| N11 | C12 | C17 | H5 | 21.4° | 60.0° |
| N11 | C12 | C17 | H6 | 97.4° | 59.9° |
| C13 | C12 | C17 | H18 | 120.7° | 119.9° |
| C12 | C13 | C14 | H1 | 121.0° | 120.0° |
| C12 | C13 | C14 | H2 | 121.0° | 120.0° |
| C12 | C13 | C14 | C15 | 14.7° | 60.0° |
| C13 | C12 | C17 | C16 | 20.6° | 60.0° |
| C12 | C13 | H1 | H2 | 117.0° | 120.0° |
| C13 | C12 | C17 | H5 | 99.9° | 60.1° |
| C13 | C12 | C17 | H6 | 141.2° | 180.0° |
| C12 | C13 | C14 | H19 | 105.9° | 60.0° |
| C12 | C13 | C14 | H20 | 135.4° | 180.0° |
| C13 | C12 | N11 | H36 | 46.1° | 25.1° |
| C17 | C12 | C13 | C14 | 44.9° | 60.0° |
| C12 | C17 | C16 | H5 | 120.6° | 120.1° |
| C12 | C17 | C16 | H6 | 120.6° | 120.0° |
| C12 | C17 | C16 | C15 | 30.8° | 60.0° |
| C17 | C12 | C13 | H1 | 165.9° | 180.0° |
| C17 | C12 | C13 | H2 | 76.0° | 60.1° |
| C12 | C17 | H5 | H6 | 118.2° | 119.9° |
| C12 | C17 | C16 | H21 | 89.8° | 60.0° |
| C12 | C17 | C16 | H22 | 151.5° | 180.0° |
| C17 | C12 | N11 | H36 | 80.5° | 94.9° |
| C13 | C14 | C15 | H19 | 120.6° | 120.0° |
| C13 | C14 | C15 | H20 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 36.0° | 60.0° |
| C14 | C13 | H1 | H2 | 117.0° | 120.0° |
| C13 | C14 | C15 | H3 | 84.4° | 180.0° |
| C13 | C14 | C15 | H4 | 156.4° | 60.0° |
| C14 | C13 | C12 | H18 | 75.9° | 60.0° |
| C13 | C14 | H19 | H20 | 118.0° | 120.0° |
| C29 | C28 | C27 | H10 | 180.0° | 180.0° |
| C29 | C28 | C27 | C30 | 179.8° | 180.0° |
| C31 | C30 | C27 | C28 | 173.6° | 0.1° |
| C31 | C30 | C27 | C33 | 120.2° | 120.0° |
| C31 | C30 | C27 | C32 | 120.0° | 120.0° |
| C31 | C30 | C33 | C32 | 118.0° | 120.0° |
| C30 | C31 | H27 | H28 | 120.0° | 120.0° |
| C30 | C31 | H27 | H29 | 120.0° | 120.0° |
| C30 | C31 | H28 | H29 | 120.0° | 120.0° |
| C31 | C30 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C32 | H31 | 60.0° | 60.0° |
| C31 | C30 | C32 | H32 | 60.0° | 60.0° |
| C31 | C30 | C33 | H33 | 180.0° | 60.0° |
| C31 | C30 | C33 | H34 | 60.0° | 60.0° |
| C31 | C30 | C33 | H35 | 60.0° | 180.0° |
| C28 | C27 | C30 | C33 | 66.2° | 120.1° |
| C28 | C27 | C30 | C32 | 53.5° | 119.9° |
| C28 | C27 | C26 | H9 | 179.4° | 180.0° |
| C27 | C28 | C29 | H26 | 179.7° | 180.0° |
| C27 | C30 | C33 | C32 | 121.2° | 120.0° |
| C30 | C27 | C26 | H9 | 0.2° | 0.1° |
| C30 | C27 | C28 | H10 | 0.2° | 0.0° |
| C27 | C30 | C31 | H27 | 180.0° | 60.0° |
| C27 | C30 | C31 | H28 | 60.0° | 180.0° |
| C27 | C30 | C31 | H29 | 60.0° | 60.0° |
| C27 | C30 | C32 | H30 | 58.8° | 60.0° |
| C27 | C30 | C32 | H31 | 61.2° | 180.0° |
| C27 | C30 | C32 | H32 | 178.8° | 60.0° |
| C27 | C30 | C33 | H33 | 59.2° | 60.0° |
| C27 | C30 | C33 | H34 | 179.2° | 180.0° |
| C27 | C30 | C33 | H35 | 60.8° | 60.0° |
| C14 | C15 | C16 | C17 | 61.1° | 60.0° |
| C14 | C15 | C16 | H3 | 120.4° | 119.9° |
| C14 | C15 | C16 | H4 | 120.4° | 120.1° |
| C15 | C14 | C13 | H1 | 135.7° | 180.0° |
| C15 | C14 | C13 | H2 | 106.3° | 60.0° |
| C14 | C15 | H3 | H4 | 118.9° | 120.0° |
| C15 | C14 | H19 | H20 | 118.0° | 120.1° |
| C14 | C15 | C16 | H21 | 59.5° | 60.0° |
| C14 | C15 | C16 | H22 | 178.3° | 180.0° |
| C17 | C16 | C15 | H21 | 120.6° | 120.0° |
| C17 | C16 | C15 | H22 | 120.6° | 120.0° |
| C17 | C16 | C15 | H3 | 59.2° | 180.0° |
| C17 | C16 | C15 | H4 | 178.5° | 60.0° |
| C16 | C17 | H5 | H6 | 118.3° | 120.0° |
| C16 | C17 | C12 | H18 | 100.1° | 60.0° |
| C17 | C16 | H21 | H22 | 118.0° | 120.0° |
| C16 | C15 | H3 | H4 | 118.9° | 120.0° |
| C15 | C16 | C17 | H5 | 151.4° | 60.0° |
| C15 | C16 | C17 | H6 | 89.7° | 180.0° |
| C16 | C15 | C14 | H19 | 156.6° | 59.9° |
| C16 | C15 | C14 | H20 | 84.7° | 180.0° |
| C15 | C16 | H21 | H22 | 118.1° | 120.0° |
| C33 | C30 | C31 | H27 | 59.8° | 180.0° |
| C33 | C30 | C31 | H28 | 179.8° | 60.0° |
| C33 | C30 | C31 | H29 | 60.2° | 60.0° |
| C33 | C30 | C32 | H30 | 61.4° | 60.0° |
| C33 | C30 | C32 | H31 | 178.6° | 60.0° |
| C33 | C30 | C32 | H32 | 58.6° | 180.0° |
| C30 | C33 | H33 | H34 | 120.0° | 120.0° |
| C30 | C33 | H33 | H35 | 120.0° | 120.0° |
| C30 | C33 | H34 | H35 | 120.0° | 120.0° |
| C32 | C30 | C31 | H27 | 58.4° | 60.0° |
| C32 | C30 | C31 | H28 | 61.6° | 60.0° |
| C32 | C30 | C31 | H29 | 178.4° | 180.0° |
| C30 | C32 | H30 | H31 | 120.0° | 120.0° |
| C30 | C32 | H30 | H32 | 120.0° | 120.0° |
| C30 | C32 | H31 | H32 | 120.0° | 120.0° |
| C32 | C30 | C33 | H33 | 62.0° | 180.0° |
| C32 | C30 | C33 | H34 | 58.0° | 60.0° |
| C32 | C30 | C33 | H35 | 178.0° | 60.0° |
| H1 | C13 | C12 | H18 | 45.1° | 60.0° |
| H1 | C13 | C14 | H19 | 15.0° | 60.0° |
| H1 | C13 | C14 | H20 | 103.7° | 60.0° |
| H2 | C13 | C12 | H18 | 163.2° | 180.0° |
| H2 | C13 | C14 | H19 | 133.1° | 180.0° |
| H2 | C13 | C14 | H20 | 14.4° | 60.0° |
| H3 | C15 | C14 | H19 | 36.3° | 60.0° |
| H3 | C15 | C14 | H20 | 155.0° | 60.0° |
| H3 | C15 | C16 | H21 | 179.9° | 60.0° |
| H3 | C15 | C16 | H22 | 61.4° | 60.1° |
| H4 | C15 | C14 | H19 | 83.0° | 180.0° |
| H4 | C15 | C14 | H20 | 35.7° | 59.9° |
| H4 | C15 | C16 | H21 | 60.9° | 180.0° |
| H4 | C15 | C16 | H22 | 57.9° | 59.9° |
| H5 | C17 | C12 | H18 | 139.3° | 180.0° |
| H5 | C17 | C16 | H21 | 30.7° | 179.9° |
| H5 | C17 | C16 | H22 | 88.0° | 60.0° |
| H6 | C17 | C12 | H18 | 20.5° | 60.1° |
| H6 | C17 | C16 | H21 | 149.6° | 60.0° |
| H6 | C17 | C16 | H22 | 30.9° | 60.0° |
| H7 | C20 | C21 | H8 | 0.2° | 0.3° |
| H7 | C20 | C19 | H23 | 0.0° | 0.0° |
| H9 | C26 | C25 | H25 | 0.1° | 0.1° |
| H10 | C28 | C29 | H26 | 0.3° | 0.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 58.9° | 180.0° |
| H12 | C01 | C02 | H14 | 61.1° | 60.0° |
| H13 | C01 | C02 | H14 | 178.8° | 60.0° |
| H14 | C02 | C04 | H15 | 151.5° | 175.0° |
| H14 | C02 | C04 | H16 | 34.2° | 65.1° |
| H14 | C02 | O03 | H37 | 59.6° | 180.0° |
| H18 | C12 | N11 | H36 | 162.1° | 145.1° |
| H27 | C31 | H28 | H29 | 120.0° | 119.9° |
| H30 | C32 | H31 | H32 | 120.0° | 120.0° |
| H33 | C33 | H34 | H35 | 120.0° | 120.0° |
