HQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C08 | N07 | sing | 1.47Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.57Å | |
| C12 | N07 | sing | 1.47Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| N07 | C04 | sing | 1.40Å | 1.51Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C03 | sing | 1.40Å | 1.47Å | |
| N18 | C19 | sing | 1.35Å | 1.48Å | |
| N20 | C19 | sing | 1.35Å | 1.46Å | |
| N20 | C21 | sing | 1.40Å | 1.47Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | O28 | doub | 1.22Å | 1.19Å | |
| C21 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C29 | sing | 1.51Å | 1.55Å | |
| O34 | C32 | doub | 1.21Å | 1.27Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | sing | 1.34Å | 1.27Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C02 | H21 | sing | 1.08Å | 1.08Å | |
| C05 | H22 | sing | 1.08Å | 1.08Å | |
| C06 | H23 | sing | 1.08Å | 1.08Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| N18 | H35 | sing | 0.97Å | 1.00Å | |
| N20 | H36 | sing | 0.97Å | 1.00Å | |
| O33 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 114.0° | 109.5° |
| C15 | C16 | C17 | 112.6° | 109.5° |
| C16 | C15 | H12 | 108.3° | 109.5° |
| C16 | C15 | H13 | 108.3° | 109.4° |
| C15 | C16 | H14 | 108.7° | 109.5° |
| C15 | C16 | H15 | 108.7° | 109.5° |
| C15 | C14 | C13 | 113.2° | 109.5° |
| C15 | C14 | H10 | 108.5° | 109.5° |
| C15 | C14 | H11 | 108.5° | 109.5° |
| C14 | C15 | H12 | 108.3° | 109.5° |
| C14 | C15 | H13 | 108.3° | 109.4° |
| C16 | C17 | C12 | 111.2° | 109.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C17 | C16 | H15 | 108.7° | 109.4° |
| C16 | C17 | H16 | 109.0° | 109.5° |
| C16 | C17 | H17 | 109.0° | 109.5° |
| C14 | C13 | C12 | 112.7° | 109.5° |
| C14 | C13 | H8 | 108.6° | 109.4° |
| C14 | C13 | H9 | 108.7° | 109.5° |
| C13 | C14 | H10 | 108.5° | 109.5° |
| C13 | C14 | H11 | 108.5° | 109.5° |
| C17 | C12 | C13 | 115.5° | 109.5° |
| C17 | C12 | N07 | 110.1° | 109.5° |
| C17 | C12 | H7 | 108.7° | 109.5° |
| C12 | C17 | H16 | 109.0° | 109.5° |
| C12 | C17 | H17 | 109.1° | 109.4° |
| C13 | C12 | N07 | 104.9° | 109.4° |
| C13 | C12 | H7 | 108.7° | 109.4° |
| C12 | C13 | H8 | 108.7° | 109.4° |
| C12 | C13 | H9 | 108.6° | 109.5° |
| N07 | C08 | C09 | 110.2° | 109.5° |
| C08 | N07 | C12 | 120.9° | 111.0° |
| C08 | N07 | C04 | 124.8° | 111.0° |
| N07 | C08 | H24 | 109.3° | 109.5° |
| N07 | C08 | H25 | 109.3° | 109.5° |
| C08 | C09 | C10 | 107.8° | 109.5° |
| C08 | C09 | C11 | 107.3° | 109.5° |
| C09 | C08 | H24 | 109.3° | 109.5° |
| C09 | C08 | H25 | 109.3° | 109.4° |
| C08 | C09 | H26 | 109.4° | 109.5° |
| C12 | N07 | C04 | 113.9° | 111.0° |
| N07 | C12 | H7 | 108.8° | 109.5° |
| C10 | C09 | C11 | 112.8° | 109.4° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.4° | 109.5° |
| C10 | C09 | H26 | 109.5° | 109.5° |
| N07 | C04 | C05 | 119.2° | 120.1° |
| N07 | C04 | C03 | 119.9° | 120.1° |
| C09 | C11 | H4 | 109.5° | 109.4° |
| C09 | C11 | H5 | 109.5° | 109.5° |
| C09 | C11 | H6 | 109.5° | 109.5° |
| C11 | C09 | H26 | 109.9° | 109.5° |
| C05 | C04 | C03 | 120.6° | 119.8° |
| C04 | C05 | C06 | 119.6° | 120.0° |
| C04 | C05 | H22 | 120.2° | 120.0° |
| C04 | C03 | N18 | 119.0° | 120.1° |
| C04 | C03 | C02 | 119.8° | 119.8° |
| C05 | C06 | C01 | 120.2° | 120.2° |
| C06 | C05 | H22 | 120.2° | 120.0° |
| C05 | C06 | H23 | 119.9° | 119.9° |
| C03 | N18 | C19 | 122.7° | 120.0° |
| N18 | C03 | C02 | 121.1° | 120.1° |
| C03 | N18 | H35 | 118.6° | 120.0° |
| N18 | C19 | N20 | 116.3° | 120.0° |
| N18 | C19 | O28 | 122.2° | 120.0° |
| C19 | N18 | H35 | 118.6° | 120.0° |
| C19 | N20 | C21 | 119.2° | 120.0° |
| N20 | C19 | O28 | 121.5° | 119.9° |
| C19 | N20 | H36 | 120.4° | 120.0° |
| N20 | C21 | C26 | 122.5° | 120.1° |
| N20 | C21 | C22 | 115.8° | 120.0° |
| C21 | N20 | H36 | 120.4° | 120.0° |
| C03 | C02 | C01 | 119.5° | 120.0° |
| C03 | C02 | H21 | 120.3° | 120.0° |
| C26 | C21 | C22 | 121.6° | 119.9° |
| C21 | C26 | C25 | 118.4° | 119.9° |
| C21 | C26 | H27 | 120.8° | 120.0° |
| C21 | C22 | C23 | 119.9° | 119.9° |
| C21 | C22 | H18 | 120.0° | 120.1° |
| C26 | C25 | C24 | 120.1° | 120.1° |
| C26 | C25 | H20 | 120.0° | 120.0° |
| C25 | C26 | H27 | 120.8° | 120.0° |
| C22 | C23 | C24 | 118.8° | 120.1° |
| C23 | C22 | H18 | 120.1° | 120.0° |
| C22 | C23 | H19 | 120.6° | 119.9° |
| C06 | C01 | C02 | 120.2° | 120.2° |
| C06 | C01 | C29 | 118.8° | 119.9° |
| C01 | C06 | H23 | 119.9° | 119.9° |
| C25 | C24 | C23 | 121.3° | 120.1° |
| C25 | C24 | C27 | 119.2° | 119.9° |
| C24 | C25 | H20 | 119.9° | 120.0° |
| C23 | C24 | C27 | 119.5° | 120.0° |
| C24 | C23 | H19 | 120.6° | 119.9° |
| C24 | C27 | H28 | 109.5° | 109.5° |
| C24 | C27 | H29 | 109.5° | 109.5° |
| C24 | C27 | H30 | 109.5° | 109.4° |
| C02 | C01 | C29 | 120.9° | 119.9° |
| C01 | C02 | H21 | 120.2° | 120.0° |
| C01 | C29 | C31 | 126.6° | 117.5° |
| C01 | C29 | C30 | 133.2° | 117.4° |
| C01 | C29 | H31 | 109.3° | 115.5° |
| O34 | C32 | O33 | 118.2° | 120.0° |
| O34 | C32 | C31 | 119.7° | 120.0° |
| C31 | C29 | C30 | 59.8° | 60.0° |
| C29 | C31 | C32 | 118.1° | 117.5° |
| C29 | C31 | C30 | 60.1° | 60.0° |
| C31 | C29 | H31 | 109.6° | 117.6° |
| C29 | C31 | H34 | 116.7° | 117.5° |
| C29 | C30 | C31 | 60.1° | 60.0° |
| C30 | C29 | H31 | 109.6° | 117.6° |
| C29 | C30 | H32 | 120.0° | 117.5° |
| C29 | C30 | H33 | 120.0° | 117.6° |
| O33 | C32 | C31 | 122.1° | 120.0° |
| C32 | O33 | H37 | 109.5° | 117.0° |
| C32 | C31 | C30 | 117.1° | 117.5° |
| C32 | C31 | H34 | 116.3° | 115.6° |
| C31 | C30 | H32 | 120.0° | 117.5° |
| C31 | C30 | H33 | 120.0° | 117.5° |
| C30 | C31 | H34 | 116.8° | 117.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H24 | C08 | H25 | 109.4° | 109.4° |
| H28 | C27 | H29 | 109.4° | 109.5° |
| H28 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H12 | 120.7° | 120.1° |
| C16 | C15 | C14 | H13 | 120.7° | 119.9° |
| C15 | C16 | C17 | H14 | 120.5° | 120.0° |
| C15 | C16 | C17 | H15 | 120.5° | 120.0° |
| C16 | C15 | C14 | C13 | 48.8° | 60.0° |
| C15 | C16 | C17 | C12 | 50.9° | 60.0° |
| C16 | C15 | C14 | H10 | 71.7° | 180.0° |
| C16 | C15 | C14 | H11 | 169.4° | 60.0° |
| C16 | C15 | H12 | H13 | 117.9° | 120.0° |
| C15 | C16 | H14 | H15 | 118.6° | 120.0° |
| C15 | C16 | C17 | H16 | 69.3° | 180.0° |
| C15 | C16 | C17 | H17 | 171.2° | 60.0° |
| C14 | C15 | C16 | C17 | 51.4° | 60.0° |
| C15 | C14 | C13 | H10 | 120.5° | 120.0° |
| C15 | C14 | C13 | H11 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 46.3° | 60.0° |
| C15 | C14 | C13 | H8 | 166.8° | 60.0° |
| C15 | C14 | C13 | H9 | 74.2° | 180.0° |
| C15 | C14 | H10 | H11 | 118.3° | 120.0° |
| C14 | C15 | H12 | H13 | 117.9° | 120.0° |
| C14 | C15 | C16 | H14 | 171.9° | 180.0° |
| C14 | C15 | C16 | H15 | 69.1° | 59.9° |
| C16 | C17 | C12 | H16 | 120.3° | 120.0° |
| C16 | C17 | C12 | H17 | 120.3° | 120.0° |
| C16 | C17 | C12 | C13 | 50.5° | 60.0° |
| C16 | C17 | C12 | N07 | 169.0° | 180.0° |
| C16 | C17 | C12 | H7 | 71.9° | 60.0° |
| C17 | C16 | C15 | H12 | 172.1° | 60.0° |
| C17 | C16 | C15 | H13 | 69.3° | 180.0° |
| C17 | C16 | H14 | H15 | 118.6° | 120.0° |
| C16 | C17 | H16 | H17 | 119.2° | 120.0° |
| C14 | C13 | C12 | C17 | 48.4° | 60.0° |
| C14 | C13 | C12 | H8 | 120.5° | 119.9° |
| C14 | C13 | C12 | H9 | 120.5° | 120.0° |
| C14 | C13 | C12 | N07 | 169.8° | 180.0° |
| C14 | C13 | C12 | H7 | 74.0° | 60.1° |
| C14 | C13 | H8 | H9 | 118.5° | 120.0° |
| C13 | C14 | H10 | H11 | 118.3° | 120.0° |
| C13 | C14 | C15 | H12 | 169.5° | 60.0° |
| C13 | C14 | C15 | H13 | 71.8° | 180.0° |
| C17 | C12 | C13 | N07 | 121.3° | 120.0° |
| C17 | C12 | C13 | H7 | 122.5° | 120.0° |
| C17 | C12 | N07 | C08 | 31.5° | 60.2° |
| C17 | C12 | N07 | H7 | 119.0° | 120.0° |
| C17 | C12 | N07 | C04 | 154.6° | 63.8° |
| C17 | C12 | C13 | H8 | 168.9° | 60.0° |
| C17 | C12 | C13 | H9 | 72.1° | 180.0° |
| C12 | C17 | C16 | H14 | 171.4° | 180.0° |
| C12 | C17 | C16 | H15 | 69.6° | 60.0° |
| C12 | C17 | H16 | H17 | 119.2° | 120.0° |
| C13 | C12 | N07 | C08 | 93.4° | 179.8° |
| C13 | C12 | N07 | H7 | 116.2° | 119.9° |
| C13 | C12 | N07 | C04 | 80.6° | 56.3° |
| C12 | C13 | H8 | H9 | 118.5° | 120.0° |
| C12 | C13 | C14 | H10 | 74.2° | 179.9° |
| C12 | C13 | C14 | H11 | 166.9° | 60.0° |
| C13 | C12 | C17 | H16 | 69.7° | 180.0° |
| C13 | C12 | C17 | H17 | 170.8° | 60.0° |
| N07 | C08 | C09 | H24 | 120.1° | 120.0° |
| N07 | C08 | C09 | H25 | 120.1° | 120.0° |
| C08 | N07 | C12 | C04 | 174.0° | 124.0° |
| N07 | C08 | C09 | C10 | 149.3° | 174.0° |
| N07 | C08 | C09 | C11 | 88.8° | 66.0° |
| C08 | N07 | C04 | C05 | 67.8° | 55.3° |
| C08 | N07 | C04 | C03 | 118.0° | 124.9° |
| C08 | N07 | C12 | H7 | 150.5° | 59.8° |
| N07 | C08 | H24 | H25 | 119.7° | 120.0° |
| N07 | C08 | C09 | H26 | 30.3° | 54.0° |
| C09 | C08 | N07 | C12 | 166.6° | 170.0° |
| C08 | C09 | C10 | C11 | 118.3° | 120.0° |
| C08 | C09 | C10 | H26 | 118.9° | 120.0° |
| C09 | C08 | N07 | C04 | 20.2° | 66.0° |
| C08 | C09 | C11 | H26 | 118.9° | 120.0° |
| C08 | C09 | C10 | H1 | 180.0° | 64.9° |
| C08 | C09 | C10 | H2 | 60.0° | 55.1° |
| C08 | C09 | C10 | H3 | 60.0° | 175.1° |
| C08 | C09 | C11 | H4 | 180.0° | 60.0° |
| C08 | C09 | C11 | H5 | 60.0° | 60.0° |
| C08 | C09 | C11 | H6 | 60.0° | 180.0° |
| C09 | C08 | H24 | H25 | 119.7° | 120.0° |
| C12 | N07 | C04 | C05 | 105.9° | 68.6° |
| C12 | N07 | C04 | C03 | 68.3° | 111.2° |
| N07 | C12 | C13 | H8 | 69.7° | 60.1° |
| N07 | C12 | C13 | H9 | 49.3° | 60.0° |
| N07 | C12 | C17 | H16 | 48.7° | 60.0° |
| N07 | C12 | C17 | H17 | 70.7° | 60.0° |
| C12 | N07 | C08 | H24 | 73.3° | 50.0° |
| C12 | N07 | C08 | H25 | 46.4° | 70.0° |
| C10 | C09 | C11 | H26 | 122.6° | 120.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C11 | H4 | 61.4° | 60.0° |
| C10 | C09 | C11 | H5 | 58.6° | 180.0° |
| C10 | C09 | C11 | H6 | 178.6° | 60.0° |
| C10 | C09 | C08 | H24 | 29.2° | 66.0° |
| C10 | C09 | C08 | H25 | 90.5° | 54.0° |
| N07 | C04 | C05 | C03 | 174.2° | 179.8° |
| N07 | C04 | C05 | C06 | 178.2° | 180.0° |
| N07 | C04 | C03 | N18 | 5.6° | 0.2° |
| N07 | C04 | C03 | C02 | 178.3° | 179.7° |
| C04 | N07 | C12 | H7 | 35.5° | 176.2° |
| N07 | C04 | C05 | H22 | 1.8° | 0.2° |
| C04 | N07 | C08 | H24 | 100.0° | 173.9° |
| C04 | N07 | C08 | H25 | 140.3° | 54.0° |
| C11 | C09 | C10 | H1 | 61.7° | 175.1° |
| C11 | C09 | C10 | H2 | 178.3° | 64.9° |
| C11 | C09 | C10 | H3 | 58.3° | 55.1° |
| C09 | C11 | H4 | H5 | 120.0° | 120.0° |
| C09 | C11 | H4 | H6 | 120.0° | 120.0° |
| C09 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C09 | C08 | H24 | 151.0° | 54.0° |
| C11 | C09 | C08 | H25 | 31.3° | 174.0° |
| C04 | C05 | C06 | H22 | 180.0° | 179.8° |
| C05 | C04 | C03 | N18 | 179.8° | 180.0° |
| C05 | C04 | C03 | C02 | 4.2° | 0.1° |
| C04 | C05 | C06 | C01 | 1.8° | 0.5° |
| C04 | C05 | C06 | H23 | 178.2° | 180.0° |
| C03 | C04 | C05 | C06 | 4.0° | 0.2° |
| C04 | C03 | N18 | C02 | 176.0° | 179.9° |
| C04 | C03 | N18 | C19 | 150.0° | 152.4° |
| C04 | C03 | C02 | C01 | 2.0° | 0.0° |
| C04 | C03 | C02 | H21 | 178.0° | 180.0° |
| C03 | C04 | C05 | H22 | 176.0° | 180.0° |
| C04 | C03 | N18 | H35 | 30.0° | 27.7° |
| C05 | C06 | C01 | H23 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.3° | 0.6° |
| C05 | C06 | C01 | C29 | 178.7° | 179.7° |
| C03 | N18 | C19 | H35 | 180.0° | 179.9° |
| C03 | N18 | C19 | N20 | 178.4° | 175.2° |
| C03 | N18 | C19 | O28 | 2.3° | 4.9° |
| N18 | C03 | C02 | C01 | 178.0° | 180.0° |
| N18 | C03 | C02 | H21 | 2.0° | 0.0° |
| N18 | C19 | N20 | O28 | 179.3° | 180.0° |
| N18 | C19 | N20 | C21 | 179.0° | 174.9° |
| C19 | N18 | C03 | C02 | 34.0° | 27.7° |
| N18 | C19 | N20 | H36 | 1.0° | 5.1° |
| C19 | N20 | C21 | H36 | 180.0° | 180.0° |
| C19 | N20 | C21 | C26 | 45.4° | 144.5° |
| C19 | N20 | C21 | C22 | 132.7° | 35.8° |
| N20 | C19 | N18 | H35 | 1.6° | 4.7° |
| C21 | N20 | C19 | O28 | 1.7° | 5.1° |
| N20 | C21 | C26 | C22 | 178.0° | 179.7° |
| N20 | C21 | C26 | C25 | 179.2° | 179.7° |
| N20 | C21 | C22 | C23 | 178.8° | 179.7° |
| N20 | C21 | C22 | H18 | 1.1° | 0.3° |
| N20 | C21 | C26 | H27 | 0.8° | 0.3° |
| C03 | C02 | C01 | C06 | 0.2° | 0.3° |
| C03 | C02 | C01 | H21 | 180.0° | 180.0° |
| C03 | C02 | C01 | C29 | 178.5° | 180.0° |
| C02 | C03 | N18 | H35 | 146.0° | 152.2° |
| O28 | C19 | N18 | H35 | 177.7° | 175.2° |
| O28 | C19 | N20 | H36 | 178.3° | 174.9° |
| C21 | C26 | C25 | H27 | 180.0° | 180.0° |
| C26 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | C26 | C25 | C24 | 1.0° | 0.0° |
| C26 | C21 | C22 | H18 | 179.2° | 180.0° |
| C21 | C26 | C25 | H20 | 179.1° | 180.0° |
| C26 | C21 | N20 | H36 | 134.6° | 35.5° |
| C22 | C21 | C26 | C25 | 1.2° | 0.1° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H19 | 179.9° | 180.0° |
| C22 | C21 | C26 | H27 | 178.7° | 180.0° |
| C22 | C21 | N20 | H36 | 47.3° | 144.2° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C26 | C25 | C24 | C27 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| C22 | C23 | C24 | H19 | 180.0° | 180.0° |
| C22 | C23 | C24 | C27 | 179.9° | 180.0° |
| C06 | C01 | C02 | C29 | 178.3° | 179.7° |
| C06 | C01 | C29 | C31 | 96.0° | 59.7° |
| C06 | C01 | C29 | C30 | 176.7° | 8.9° |
| C06 | C01 | C02 | H21 | 179.8° | 179.7° |
| C01 | C06 | C05 | H22 | 178.2° | 179.7° |
| C06 | C01 | C29 | H31 | 38.6° | 154.6° |
| C25 | C24 | C23 | C27 | 179.8° | 180.0° |
| C25 | C24 | C23 | H19 | 179.7° | 179.9° |
| C24 | C25 | C26 | H27 | 179.0° | 180.0° |
| C25 | C24 | C27 | H28 | 89.9° | 90.0° |
| C25 | C24 | C27 | H29 | 150.1° | 30.1° |
| C25 | C24 | C27 | H30 | 30.1° | 150.0° |
| C24 | C23 | C22 | H18 | 180.0° | 180.0° |
| C23 | C24 | C25 | H20 | 179.8° | 180.0° |
| C23 | C24 | C27 | H28 | 89.9° | 90.0° |
| C23 | C24 | C27 | H29 | 30.1° | 150.0° |
| C23 | C24 | C27 | H30 | 150.1° | 30.0° |
| C27 | C24 | C23 | H19 | 0.1° | 0.0° |
| C27 | C24 | C25 | H20 | 0.4° | 0.0° |
| C24 | C27 | H28 | H29 | 120.0° | 120.0° |
| C24 | C27 | H28 | H30 | 120.0° | 120.0° |
| C24 | C27 | H29 | H30 | 120.0° | 120.0° |
| C02 | C01 | C29 | C31 | 82.3° | 120.0° |
| C02 | C01 | C29 | C30 | 1.7° | 171.4° |
| C02 | C01 | C06 | H23 | 179.7° | 179.9° |
| C02 | C01 | C29 | H31 | 143.0° | 25.7° |
| C01 | C29 | C31 | C30 | 123.7° | 107.4° |
| C01 | C29 | C31 | H31 | 134.5° | 145.0° |
| C01 | C29 | C30 | H31 | 144.7° | 145.0° |
| C01 | C29 | C31 | C32 | 16.9° | 0.0° |
| C29 | C01 | C02 | H21 | 1.5° | 0.0° |
| C29 | C01 | C06 | H23 | 1.3° | 0.2° |
| C01 | C29 | C30 | H32 | 136.9° | 145.0° |
| C01 | C29 | C30 | H33 | 4.1° | 0.0° |
| C01 | C29 | C31 | H34 | 129.3° | 145.1° |
| O34 | C32 | C31 | C29 | 101.3° | 0.0° |
| O34 | C32 | O33 | C31 | 179.0° | 180.0° |
| O34 | C32 | C31 | C30 | 170.1° | 68.6° |
| O34 | C32 | C31 | H34 | 45.0° | 145.7° |
| O34 | C32 | O33 | H37 | 0.0° | 0.0° |
| C31 | C29 | C30 | H31 | 101.8° | 107.5° |
| C29 | C31 | C32 | O33 | 79.7° | 180.0° |
| C29 | C31 | C32 | C30 | 68.8° | 68.6° |
| C29 | C31 | C32 | H34 | 146.3° | 145.7° |
| C29 | C31 | C30 | H34 | 106.9° | 107.5° |
| C31 | C29 | C30 | H32 | 109.5° | 107.5° |
| C31 | C29 | C30 | H33 | 109.5° | 107.5° |
| C29 | C30 | H32 | H33 | 144.7° | 145.7° |
| O33 | C32 | C31 | C30 | 10.9° | 111.4° |
| O33 | C32 | C31 | H34 | 134.0° | 34.2° |
| C32 | C31 | C30 | H34 | 144.7° | 145.0° |
| C32 | C31 | C29 | H31 | 151.4° | 145.0° |
| C32 | C31 | C30 | H32 | 142.1° | 145.0° |
| C32 | C31 | C30 | H33 | 1.2° | 0.0° |
| C31 | C32 | O33 | H37 | 179.1° | 180.0° |
| C31 | C30 | H32 | H33 | 144.6° | 145.7° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H1 | C10 | C09 | H26 | 61.0° | 55.1° |
| H2 | C10 | C09 | H26 | 58.9° | 175.1° |
| H3 | C10 | C09 | H26 | 178.9° | 64.9° |
| H4 | C11 | H5 | H6 | 120.0° | 120.1° |
| H4 | C11 | C09 | H26 | 61.2° | 180.0° |
| H5 | C11 | C09 | H26 | 178.8° | 60.0° |
| H6 | C11 | C09 | H26 | 58.9° | 60.0° |
| H7 | C12 | C13 | H8 | 46.5° | 180.0° |
| H7 | C12 | C13 | H9 | 165.5° | 60.0° |
| H7 | C12 | C17 | H16 | 167.8° | 60.0° |
| H7 | C12 | C17 | H17 | 48.3° | 180.0° |
| H8 | C13 | C14 | H10 | 46.3° | 60.0° |
| H8 | C13 | C14 | H11 | 72.6° | 180.0° |
| H9 | C13 | C14 | H10 | 165.3° | 60.0° |
| H9 | C13 | C14 | H11 | 46.4° | 60.0° |
| H10 | C14 | C15 | H12 | 49.0° | 59.9° |
| H10 | C14 | C15 | H13 | 167.6° | 60.1° |
| H11 | C14 | C15 | H12 | 69.9° | 180.0° |
| H11 | C14 | C15 | H13 | 48.7° | 60.0° |
| H12 | C15 | C16 | H14 | 67.5° | 60.0° |
| H12 | C15 | C16 | H15 | 51.6° | 180.0° |
| H13 | C15 | C16 | H14 | 51.2° | 60.1° |
| H13 | C15 | C16 | H15 | 170.2° | 60.0° |
| H14 | C16 | C17 | H16 | 51.1° | 60.0° |
| H14 | C16 | C17 | H17 | 68.3° | 60.0° |
| H15 | C16 | C17 | H16 | 170.2° | 60.1° |
| H15 | C16 | C17 | H17 | 50.7° | 179.9° |
| H18 | C22 | C23 | H19 | 0.0° | 0.0° |
| H20 | C25 | C26 | H27 | 1.0° | 0.0° |
| H22 | C05 | C06 | H23 | 1.8° | 0.2° |
| H24 | C08 | C09 | H26 | 89.8° | 174.0° |
| H25 | C08 | C09 | H26 | 150.4° | 66.0° |
| H28 | C27 | H29 | H30 | 120.0° | 120.0° |
| H31 | C29 | C30 | H32 | 7.7° | 0.0° |
| H31 | C29 | C30 | H33 | 148.7° | 145.0° |
| H31 | C29 | C31 | H34 | 5.2° | 0.1° |
| H32 | C30 | C31 | H34 | 2.6° | 0.0° |
| H33 | C30 | C31 | H34 | 143.6° | 145.0° |
