A1A6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | C30 | sing | 1.51Å | 1.52Å | |
| C35 | N36 | sing | 1.47Å | 1.49Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| N36 | C29 | sing | 1.39Å | 1.47Å | |
| C31 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | N28 | doub | 1.33Å | 1.33Å | Aromatic |
| C32 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| N28 | C27 | sing | 1.32Å | 1.31Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | sing | 1.43Å | 1.37Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | O22 | sing | 1.43Å | 1.37Å | |
| O17 | C12 | sing | 1.43Å | 1.36Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| O22 | C21 | sing | 1.43Å | 1.37Å | |
| C21 | C37 | sing | 1.54Å | 1.52Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C37 | N18 | sing | 1.48Å | 1.49Å | |
| C20 | C19 | sing | 1.55Å | 1.53Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N18 | sing | 1.48Å | 1.48Å | |
| N18 | C04 | sing | 1.47Å | 1.50Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.40Å | |
| C02 | O01 | doub | 1.21Å | 1.17Å | |
| C02 | O03 | sing | 1.34Å | 1.16Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.08Å | 1.08Å | |
| C09 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| N36 | H38 | sing | 0.97Å | 1.00Å | |
| O03 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 114.5° | 108.8° |
| C34 | C33 | C30 | 111.6° | 110.5° |
| C34 | C33 | H30 | 109.0° | 109.3° |
| C34 | C33 | H31 | 108.9° | 109.2° |
| C33 | C34 | H32 | 108.2° | 109.6° |
| C33 | C34 | H33 | 108.2° | 109.6° |
| C34 | C35 | N36 | 116.9° | 107.6° |
| C35 | C34 | H32 | 108.2° | 109.6° |
| C35 | C34 | H33 | 108.2° | 109.6° |
| C34 | C35 | H34 | 107.6° | 109.8° |
| C34 | C35 | H35 | 107.6° | 109.8° |
| C33 | C30 | C31 | 120.9° | 119.1° |
| C33 | C30 | C29 | 119.1° | 121.8° |
| C30 | C33 | H30 | 108.9° | 109.3° |
| C30 | C33 | H31 | 108.9° | 109.3° |
| C35 | N36 | C29 | 112.7° | 118.9° |
| N36 | C35 | H34 | 107.6° | 110.2° |
| N36 | C35 | H35 | 107.6° | 109.6° |
| C35 | N36 | H38 | 108.7° | 120.5° |
| C31 | C30 | C29 | 120.0° | 119.1° |
| C30 | C31 | C32 | 116.9° | 118.7° |
| C30 | C31 | H28 | 121.5° | 120.7° |
| C30 | C29 | N36 | 119.4° | 120.6° |
| C30 | C29 | N28 | 121.9° | 120.4° |
| N36 | C29 | N28 | 118.6° | 118.9° |
| C29 | N36 | H38 | 108.6° | 120.6° |
| C31 | C32 | C27 | 120.0° | 119.2° |
| C32 | C31 | H28 | 121.5° | 120.6° |
| C31 | C32 | H29 | 120.0° | 120.4° |
| C29 | N28 | C27 | 119.2° | 121.8° |
| C32 | C27 | N28 | 122.0° | 120.8° |
| C32 | C27 | C26 | 116.6° | 119.6° |
| C27 | C32 | H29 | 120.0° | 120.4° |
| N28 | C27 | C26 | 121.4° | 119.6° |
| C27 | C26 | C25 | 103.1° | 109.5° |
| C27 | C26 | H26 | 111.1° | 109.4° |
| C27 | C26 | H27 | 111.0° | 109.5° |
| C26 | C25 | C24 | 115.2° | 109.5° |
| C26 | C25 | H15 | 108.0° | 109.5° |
| C26 | C25 | H16 | 108.0° | 109.5° |
| C25 | C26 | H26 | 111.1° | 109.5° |
| C25 | C26 | H27 | 111.1° | 109.5° |
| C25 | C24 | C23 | 109.5° | 109.5° |
| C25 | C24 | H11 | 109.4° | 109.5° |
| C25 | C24 | H12 | 109.5° | 109.4° |
| C24 | C25 | H15 | 108.0° | 109.5° |
| C24 | C25 | H16 | 108.0° | 109.4° |
| C16 | C15 | C14 | 111.1° | 109.2° |
| C15 | C16 | O17 | 110.9° | 109.4° |
| C15 | C16 | H5 | 109.1° | 109.5° |
| C15 | C16 | H6 | 109.1° | 109.5° |
| C16 | C15 | H7 | 109.0° | 109.5° |
| C16 | C15 | H8 | 109.1° | 109.5° |
| C15 | C14 | C13 | 111.4° | 109.0° |
| C14 | C15 | H7 | 109.1° | 109.5° |
| C14 | C15 | H8 | 109.1° | 109.6° |
| C15 | C14 | H9 | 109.0° | 109.6° |
| C15 | C14 | H10 | 109.0° | 109.6° |
| C16 | O17 | C12 | 109.6° | 114.1° |
| O17 | C16 | H5 | 109.1° | 109.5° |
| O17 | C16 | H6 | 109.1° | 109.4° |
| C24 | C23 | O22 | 107.9° | 109.5° |
| C23 | C24 | H11 | 109.5° | 109.5° |
| C23 | C24 | H12 | 109.4° | 109.5° |
| C24 | C23 | H13 | 109.8° | 109.5° |
| C24 | C23 | H14 | 109.8° | 109.5° |
| C23 | O22 | C21 | 111.1° | 114.1° |
| O22 | C23 | H13 | 109.9° | 109.5° |
| O22 | C23 | H14 | 109.9° | 109.5° |
| O17 | C12 | C13 | 109.4° | 109.3° |
| O17 | C12 | C11 | 108.8° | 109.5° |
| O17 | C12 | H4 | 112.3° | 109.5° |
| C14 | C13 | C12 | 109.9° | 109.2° |
| C14 | C13 | H2 | 109.3° | 109.6° |
| C14 | C13 | H3 | 109.4° | 109.6° |
| C13 | C14 | H9 | 109.0° | 109.5° |
| C13 | C14 | H10 | 109.0° | 109.5° |
| O22 | C21 | C37 | 110.5° | 110.7° |
| O22 | C21 | C20 | 109.0° | 110.7° |
| O22 | C21 | H25 | 112.2° | 110.7° |
| C37 | C21 | C20 | 105.1° | 103.0° |
| C21 | C37 | N18 | 107.4° | 107.2° |
| C37 | C21 | H25 | 109.9° | 110.7° |
| C21 | C37 | H36 | 110.0° | 109.9° |
| C21 | C37 | H37 | 110.0° | 109.9° |
| C21 | C20 | C19 | 104.3° | 101.7° |
| C21 | C20 | H17 | 110.8° | 111.0° |
| C21 | C20 | H18 | 110.8° | 111.0° |
| C20 | C21 | H25 | 110.0° | 110.7° |
| C13 | C12 | C11 | 106.3° | 109.5° |
| C12 | C13 | H2 | 109.4° | 109.5° |
| C12 | C13 | H3 | 109.4° | 109.5° |
| C13 | C12 | H4 | 109.9° | 109.5° |
| C12 | C11 | C10 | 118.7° | 120.0° |
| C12 | C11 | C05 | 121.0° | 120.0° |
| C11 | C12 | H4 | 109.9° | 109.5° |
| C37 | N18 | C19 | 105.2° | 108.5° |
| C37 | N18 | C04 | 111.7° | 111.0° |
| N18 | C37 | H36 | 109.9° | 109.8° |
| N18 | C37 | H37 | 110.0° | 109.9° |
| C20 | C19 | N18 | 103.6° | 104.8° |
| C19 | C20 | H17 | 110.7° | 111.0° |
| C19 | C20 | H18 | 110.8° | 111.0° |
| C20 | C19 | H19 | 110.9° | 110.3° |
| C20 | C19 | H20 | 110.9° | 110.4° |
| C10 | C11 | C05 | 120.3° | 120.1° |
| C11 | C10 | C09 | 120.5° | 120.0° |
| C11 | C10 | H1 | 119.7° | 120.0° |
| C11 | C05 | C04 | 120.9° | 120.0° |
| C11 | C05 | C06 | 119.4° | 120.0° |
| C10 | C09 | C07 | 118.7° | 119.9° |
| C09 | C10 | H1 | 119.7° | 120.0° |
| C10 | C09 | H24 | 120.6° | 120.0° |
| C19 | N18 | C04 | 110.8° | 111.0° |
| N18 | C19 | H19 | 110.9° | 110.3° |
| N18 | C19 | H20 | 110.9° | 110.4° |
| N18 | C04 | C05 | 107.9° | 109.5° |
| N18 | C04 | C02 | 109.4° | 109.5° |
| N18 | C04 | H22 | 110.2° | 109.4° |
| C05 | C04 | C02 | 109.4° | 109.5° |
| C04 | C05 | C06 | 119.7° | 120.0° |
| C05 | C04 | H22 | 109.9° | 109.4° |
| C04 | C02 | O01 | 122.1° | 120.0° |
| C04 | C02 | O03 | 119.8° | 120.0° |
| C02 | C04 | H22 | 109.9° | 109.5° |
| C05 | C06 | C07 | 119.7° | 120.0° |
| C05 | C06 | H23 | 120.2° | 120.0° |
| C09 | C07 | C06 | 121.2° | 120.0° |
| C09 | C07 | F08 | 119.0° | 120.0° |
| C07 | C09 | H24 | 120.6° | 120.1° |
| C06 | C07 | F08 | 119.7° | 120.0° |
| C07 | C06 | H23 | 120.1° | 120.0° |
| O01 | C02 | O03 | 118.1° | 120.0° |
| C02 | O03 | H39 | 109.5° | 117.0° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.6° |
| H9 | C14 | H10 | 109.4° | 109.6° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 110.9° |
| H19 | C19 | H20 | 109.5° | 110.5° |
| H26 | C26 | H27 | 109.4° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.3° |
| H32 | C34 | H33 | 109.5° | 109.6° |
| H34 | C35 | H35 | 109.5° | 109.8° |
| H36 | C37 | H37 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H32 | 120.8° | 119.9° |
| C33 | C34 | C35 | H33 | 120.7° | 119.8° |
| C34 | C33 | C30 | H30 | 120.3° | 120.3° |
| C34 | C33 | C30 | H31 | 120.3° | 120.1° |
| C33 | C34 | C35 | N36 | 0.1° | 63.4° |
| C34 | C33 | C30 | C31 | 140.6° | 159.8° |
| C34 | C33 | C30 | C29 | 39.8° | 20.1° |
| C34 | C33 | H30 | H31 | 119.1° | 119.4° |
| C33 | C34 | H32 | H33 | 117.7° | 120.3° |
| C33 | C34 | C35 | H34 | 121.1° | 56.5° |
| C33 | C34 | C35 | H35 | 121.0° | 177.3° |
| C35 | C34 | C33 | C30 | 38.0° | 50.8° |
| C34 | C35 | N36 | H34 | 121.0° | 119.7° |
| C34 | C35 | N36 | H35 | 121.0° | 119.4° |
| C34 | C35 | N36 | C29 | 39.3° | 45.7° |
| C35 | C34 | C33 | H30 | 158.3° | 69.4° |
| C35 | C34 | C33 | H31 | 82.3° | 171.1° |
| C35 | C34 | H32 | H33 | 117.7° | 120.3° |
| C34 | C35 | H34 | H35 | 116.6° | 120.8° |
| C34 | C35 | N36 | H38 | 81.2° | 134.9° |
| C33 | C30 | C31 | C29 | 179.6° | 179.9° |
| C33 | C30 | C29 | N36 | 0.2° | 0.7° |
| C33 | C30 | C31 | C32 | 179.5° | 179.6° |
| C33 | C30 | C29 | N28 | 179.6° | 179.5° |
| C33 | C30 | C31 | H28 | 0.6° | 0.2° |
| C30 | C33 | H30 | H31 | 119.0° | 119.6° |
| C30 | C33 | C34 | H32 | 158.8° | 170.7° |
| C30 | C33 | C34 | H33 | 82.7° | 68.9° |
| C35 | N36 | C29 | C30 | 40.6° | 14.5° |
| C35 | N36 | C29 | H38 | 120.5° | 179.4° |
| C35 | N36 | C29 | N28 | 140.1° | 165.7° |
| N36 | C35 | C34 | H32 | 120.7° | 176.7° |
| N36 | C35 | C34 | H33 | 120.8° | 56.4° |
| N36 | C35 | H34 | H35 | 116.7° | 120.8° |
| C31 | C30 | C29 | N36 | 179.4° | 179.2° |
| C30 | C31 | C32 | H28 | 180.0° | 179.8° |
| C31 | C30 | C29 | N28 | 0.0° | 0.6° |
| C30 | C31 | C32 | C27 | 0.4° | 0.0° |
| C30 | C31 | C32 | H29 | 179.6° | 180.0° |
| C31 | C30 | C33 | H30 | 20.3° | 79.9° |
| C31 | C30 | C33 | H31 | 99.1° | 39.7° |
| C30 | C29 | N36 | N28 | 179.3° | 179.8° |
| C29 | C30 | C31 | C32 | 0.1° | 0.5° |
| C30 | C29 | N28 | C27 | 0.6° | 0.2° |
| C29 | C30 | C31 | H28 | 179.8° | 179.8° |
| C29 | C30 | C33 | H30 | 160.1° | 100.1° |
| C29 | C30 | C33 | H31 | 80.5° | 140.2° |
| C30 | C29 | N36 | H38 | 79.9° | 166.0° |
| N36 | C29 | N28 | C27 | 178.7° | 179.6° |
| C29 | N36 | C35 | H34 | 160.3° | 74.0° |
| C29 | N36 | C35 | H35 | 81.7° | 165.1° |
| C31 | C32 | C27 | H29 | 180.0° | 180.0° |
| C31 | C32 | C27 | N28 | 1.1° | 0.4° |
| C31 | C32 | C27 | C26 | 178.2° | 179.9° |
| C29 | N28 | C27 | C32 | 1.2° | 0.3° |
| C29 | N28 | C27 | C26 | 178.2° | 180.0° |
| N28 | C29 | N36 | H38 | 99.4° | 13.8° |
| C32 | C27 | N28 | C26 | 177.0° | 179.7° |
| C32 | C27 | C26 | C25 | 65.1° | 125.0° |
| C32 | C27 | C26 | H26 | 53.9° | 5.0° |
| C32 | C27 | C26 | H27 | 175.9° | 114.9° |
| C27 | C32 | C31 | H28 | 179.6° | 179.8° |
| N28 | C27 | C26 | C25 | 112.0° | 55.3° |
| N28 | C27 | C26 | H26 | 129.0° | 175.3° |
| N28 | C27 | C26 | H27 | 7.0° | 64.7° |
| N28 | C27 | C32 | H29 | 178.8° | 179.7° |
| C27 | C26 | C25 | H26 | 119.0° | 120.0° |
| C27 | C26 | C25 | H27 | 119.0° | 120.1° |
| C27 | C26 | C25 | C24 | 162.7° | 180.0° |
| C27 | C26 | C25 | H15 | 41.8° | 60.0° |
| C27 | C26 | C25 | H16 | 76.5° | 60.0° |
| C27 | C26 | H26 | H27 | 122.9° | 120.0° |
| C26 | C27 | C32 | H29 | 1.8° | 0.0° |
| C26 | C25 | C24 | H15 | 120.8° | 120.0° |
| C26 | C25 | C24 | H16 | 120.8° | 120.0° |
| C26 | C25 | C24 | C23 | 177.2° | 180.0° |
| C26 | C25 | C24 | H11 | 62.8° | 60.0° |
| C26 | C25 | C24 | H12 | 57.2° | 60.0° |
| C26 | C25 | H15 | H16 | 117.4° | 120.0° |
| C25 | C26 | H26 | H27 | 123.0° | 120.0° |
| C25 | C24 | C23 | H11 | 120.0° | 120.0° |
| C25 | C24 | C23 | H12 | 120.0° | 120.0° |
| C25 | C24 | C23 | O22 | 151.6° | 180.0° |
| C25 | C24 | H11 | H12 | 120.0° | 120.0° |
| C25 | C24 | C23 | H13 | 88.6° | 60.0° |
| C25 | C24 | C23 | H14 | 31.9° | 60.0° |
| C24 | C25 | H15 | H16 | 117.4° | 120.0° |
| C24 | C25 | C26 | H26 | 78.3° | 60.0° |
| C24 | C25 | C26 | H27 | 43.7° | 59.9° |
| C16 | C15 | C14 | H7 | 120.2° | 119.9° |
| C16 | C15 | C14 | H8 | 120.2° | 119.9° |
| C15 | C16 | O17 | H5 | 120.2° | 120.0° |
| C15 | C16 | O17 | H6 | 120.2° | 120.0° |
| C15 | C16 | O17 | C12 | 67.6° | 61.2° |
| C16 | C15 | C14 | C13 | 41.9° | 57.0° |
| C15 | C16 | H5 | H6 | 119.3° | 120.1° |
| C16 | C15 | H7 | H8 | 119.2° | 120.1° |
| C16 | C15 | C14 | H9 | 78.4° | 176.9° |
| C16 | C15 | C14 | H10 | 162.2° | 62.9° |
| C14 | C15 | C16 | O17 | 52.2° | 57.6° |
| C15 | C14 | C13 | H9 | 120.3° | 119.9° |
| C15 | C14 | C13 | H10 | 120.3° | 119.9° |
| C15 | C14 | C13 | C12 | 45.2° | 57.0° |
| C15 | C14 | C13 | H2 | 165.2° | 62.9° |
| C15 | C14 | C13 | H3 | 74.9° | 176.9° |
| C14 | C15 | C16 | H5 | 172.4° | 62.4° |
| C14 | C15 | C16 | H6 | 68.1° | 177.6° |
| C14 | C15 | H7 | H8 | 119.3° | 120.2° |
| C15 | C14 | H9 | H10 | 119.1° | 120.3° |
| C16 | O17 | C12 | C13 | 71.2° | 61.2° |
| C16 | O17 | C12 | C11 | 173.0° | 178.9° |
| C16 | O17 | C12 | H4 | 51.1° | 58.8° |
| O17 | C16 | H5 | H6 | 119.3° | 120.0° |
| O17 | C16 | C15 | H7 | 172.4° | 177.5° |
| O17 | C16 | C15 | H8 | 68.1° | 62.3° |
| C24 | C23 | O22 | H13 | 119.7° | 120.0° |
| C24 | C23 | O22 | H14 | 119.7° | 120.0° |
| C24 | C23 | O22 | C21 | 164.7° | 180.0° |
| C23 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C23 | H13 | H14 | 120.7° | 120.0° |
| C23 | C24 | C25 | H15 | 56.3° | 60.0° |
| C23 | C24 | C25 | H16 | 62.0° | 60.0° |
| C23 | O22 | C21 | C37 | 145.0° | 150.0° |
| C23 | O22 | C21 | C20 | 100.1° | 96.4° |
| O22 | C23 | C24 | H11 | 31.6° | 60.0° |
| O22 | C23 | C24 | H12 | 88.4° | 60.0° |
| O22 | C23 | H13 | H14 | 120.7° | 120.0° |
| C23 | O22 | C21 | H25 | 21.9° | 26.7° |
| O17 | C12 | C13 | C14 | 59.3° | 57.6° |
| O17 | C12 | C13 | C11 | 117.3° | 120.0° |
| O17 | C12 | C13 | H4 | 123.7° | 120.0° |
| O17 | C12 | C11 | H4 | 123.3° | 120.1° |
| O17 | C12 | C11 | C10 | 82.2° | 25.3° |
| O17 | C12 | C11 | C05 | 99.1° | 154.7° |
| O17 | C12 | C13 | H2 | 179.4° | 62.4° |
| O17 | C12 | C13 | H3 | 60.8° | 177.6° |
| C12 | O17 | C16 | H5 | 172.2° | 58.8° |
| C12 | O17 | C16 | H6 | 52.6° | 178.8° |
| C14 | C13 | C12 | H2 | 120.1° | 120.0° |
| C14 | C13 | C12 | H3 | 120.1° | 120.0° |
| C14 | C13 | C12 | C11 | 176.6° | 177.6° |
| C14 | C13 | H2 | H3 | 119.8° | 120.2° |
| C14 | C13 | C12 | H4 | 64.4° | 62.3° |
| C13 | C14 | C15 | H7 | 162.1° | 176.9° |
| C13 | C14 | C15 | H8 | 78.3° | 62.9° |
| C13 | C14 | H9 | H10 | 119.1° | 120.2° |
| O22 | C21 | C37 | C20 | 117.4° | 118.4° |
| O22 | C21 | C37 | H25 | 124.4° | 123.2° |
| O22 | C21 | C20 | H25 | 123.4° | 123.2° |
| O22 | C21 | C37 | N18 | 118.9° | 140.7° |
| O22 | C21 | C20 | C19 | 141.8° | 154.1° |
| C21 | O22 | C23 | H13 | 45.0° | 60.0° |
| C21 | O22 | C23 | H14 | 75.6° | 59.9° |
| O22 | C21 | C20 | H17 | 22.6° | 87.8° |
| O22 | C21 | C20 | H18 | 99.0° | 35.9° |
| O22 | C21 | C37 | H36 | 121.5° | 21.3° |
| O22 | C21 | C37 | H37 | 0.8° | 99.9° |
| C37 | C21 | C20 | H25 | 118.2° | 118.4° |
| C21 | C37 | N18 | H36 | 119.7° | 119.4° |
| C21 | C37 | N18 | H37 | 119.7° | 119.4° |
| C37 | C21 | C20 | C19 | 23.4° | 35.7° |
| C21 | C37 | N18 | C19 | 21.7° | 1.0° |
| C21 | C37 | N18 | C04 | 142.0° | 123.3° |
| C37 | C21 | C20 | H17 | 95.8° | 153.7° |
| C37 | C21 | C20 | H18 | 142.6° | 82.5° |
| C21 | C37 | H36 | H37 | 121.0° | 121.1° |
| C20 | C21 | C37 | N18 | 1.5° | 22.3° |
| C21 | C20 | C19 | H17 | 119.2° | 118.1° |
| C21 | C20 | C19 | H18 | 119.2° | 118.1° |
| C21 | C20 | C19 | N18 | 37.0° | 37.1° |
| C21 | C20 | H17 | H18 | 122.4° | 123.9° |
| C21 | C20 | C19 | H19 | 156.1° | 155.9° |
| C21 | C20 | C19 | H20 | 82.0° | 81.8° |
| C20 | C21 | C37 | H36 | 121.1° | 97.1° |
| C20 | C21 | C37 | H37 | 118.2° | 141.6° |
| C13 | C12 | C11 | H4 | 118.9° | 120.0° |
| C13 | C12 | C11 | C10 | 35.5° | 94.6° |
| C13 | C12 | C11 | C05 | 143.2° | 85.5° |
| C12 | C13 | H2 | H3 | 119.8° | 120.0° |
| C12 | C13 | C14 | H9 | 75.1° | 176.9° |
| C12 | C13 | C14 | H10 | 165.5° | 62.9° |
| C12 | C11 | C10 | C05 | 178.7° | 179.9° |
| C12 | C11 | C10 | C09 | 179.7° | 180.0° |
| C12 | C11 | C05 | C04 | 1.9° | 0.0° |
| C12 | C11 | C05 | C06 | 179.7° | 180.0° |
| C12 | C11 | C10 | H1 | 0.3° | 0.3° |
| C11 | C12 | C13 | H2 | 63.3° | 57.6° |
| C11 | C12 | C13 | H3 | 56.6° | 62.4° |
| C37 | N18 | C19 | C20 | 36.2° | 24.1° |
| C37 | N18 | C19 | C04 | 120.9° | 122.2° |
| C37 | N18 | C04 | C05 | 52.0° | 176.7° |
| C37 | N18 | C04 | C02 | 170.9° | 56.6° |
| C37 | N18 | C19 | H19 | 155.2° | 142.9° |
| C37 | N18 | C19 | H20 | 82.9° | 94.7° |
| C37 | N18 | C04 | H22 | 68.1° | 63.4° |
| N18 | C37 | C21 | H25 | 116.8° | 96.1° |
| N18 | C37 | H36 | H37 | 120.9° | 121.1° |
| C20 | C19 | N18 | H19 | 119.0° | 118.8° |
| C20 | C19 | N18 | H20 | 119.1° | 118.8° |
| C20 | C19 | N18 | C04 | 157.1° | 146.4° |
| C19 | C20 | H17 | H18 | 122.4° | 123.9° |
| C20 | C19 | H19 | H20 | 122.7° | 122.3° |
| C19 | C20 | C21 | H25 | 94.8° | 82.7° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C05 | C04 | 179.4° | 180.0° |
| C10 | C11 | C05 | C06 | 1.0° | 0.0° |
| C11 | C10 | C09 | C07 | 0.6° | 0.1° |
| C10 | C11 | C12 | H4 | 154.5° | 145.4° |
| C11 | C10 | C09 | H24 | 179.4° | 179.8° |
| C05 | C11 | C10 | C09 | 1.0° | 0.1° |
| C11 | C05 | C04 | N18 | 119.8° | 76.6° |
| C11 | C05 | C04 | C06 | 178.4° | 180.0° |
| C11 | C05 | C04 | C02 | 121.2° | 163.4° |
| C11 | C05 | C06 | C07 | 0.6° | 0.0° |
| C05 | C11 | C10 | H1 | 179.0° | 179.8° |
| C05 | C11 | C12 | H4 | 24.2° | 34.6° |
| C11 | C05 | C04 | H22 | 0.5° | 43.3° |
| C11 | C05 | C06 | H23 | 179.4° | 180.0° |
| C10 | C09 | C07 | H24 | 180.0° | 179.8° |
| C10 | C09 | C07 | C06 | 0.2° | 0.0° |
| C10 | C09 | C07 | F08 | 179.4° | 180.0° |
| C19 | N18 | C04 | C05 | 168.9° | 55.9° |
| C19 | N18 | C04 | C02 | 72.2° | 64.2° |
| N18 | C19 | C20 | H17 | 82.1° | 155.2° |
| N18 | C19 | C20 | H18 | 156.2° | 81.0° |
| N18 | C19 | H19 | H20 | 122.7° | 122.4° |
| C19 | N18 | C04 | H22 | 48.8° | 175.8° |
| C19 | N18 | C37 | H36 | 97.9° | 120.4° |
| C19 | N18 | C37 | H37 | 141.4° | 118.4° |
| N18 | C04 | C05 | C02 | 118.9° | 120.0° |
| N18 | C04 | C05 | H22 | 120.3° | 119.9° |
| N18 | C04 | C02 | H22 | 121.2° | 120.0° |
| N18 | C04 | C05 | C06 | 58.6° | 103.4° |
| N18 | C04 | C02 | O01 | 173.4° | 16.1° |
| N18 | C04 | C02 | O03 | 6.2° | 163.9° |
| C04 | N18 | C19 | H19 | 83.9° | 94.9° |
| C04 | N18 | C19 | H20 | 38.0° | 27.5° |
| C04 | N18 | C37 | H36 | 22.3° | 117.3° |
| C04 | N18 | C37 | H37 | 98.3° | 3.9° |
| C05 | C04 | C02 | H22 | 120.8° | 120.0° |
| C04 | C05 | C06 | C07 | 179.1° | 180.0° |
| C05 | C04 | C02 | O01 | 68.5° | 103.9° |
| C05 | C04 | C02 | O03 | 111.8° | 76.1° |
| C04 | C05 | C06 | H23 | 1.0° | 0.0° |
| C02 | C04 | C05 | C06 | 60.3° | 16.6° |
| C04 | C02 | O01 | O03 | 179.7° | 180.0° |
| C04 | C02 | O03 | H39 | 179.7° | 180.0° |
| C05 | C06 | C07 | C09 | 0.2° | 0.0° |
| C05 | C06 | C07 | H23 | 180.0° | 180.0° |
| C05 | C06 | C07 | F08 | 179.4° | 180.0° |
| C06 | C05 | C04 | H22 | 178.9° | 136.7° |
| C09 | C07 | C06 | F08 | 179.6° | 180.0° |
| C07 | C09 | C10 | H1 | 179.4° | 179.8° |
| C09 | C07 | C06 | H23 | 179.8° | 180.0° |
| C06 | C07 | C09 | H24 | 179.8° | 179.8° |
| F08 | C07 | C06 | H23 | 0.6° | 0.0° |
| F08 | C07 | C09 | H24 | 0.6° | 0.2° |
| O01 | C02 | C04 | H22 | 52.2° | 136.1° |
| O01 | C02 | O03 | H39 | 0.0° | 0.0° |
| O03 | C02 | C04 | H22 | 127.4° | 43.9° |
| H1 | C10 | C09 | H24 | 0.6° | 0.1° |
| H2 | C13 | C12 | H4 | 55.6° | 177.7° |
| H2 | C13 | C14 | H9 | 44.9° | 56.9° |
| H2 | C13 | C14 | H10 | 74.5° | 177.2° |
| H3 | C13 | C12 | H4 | 175.5° | 57.6° |
| H3 | C13 | C14 | H9 | 164.8° | 63.2° |
| H3 | C13 | C14 | H10 | 45.4° | 57.0° |
| H5 | C16 | C15 | H7 | 67.3° | 57.6° |
| H5 | C16 | C15 | H8 | 52.2° | 177.7° |
| H6 | C16 | C15 | H7 | 52.2° | 62.5° |
| H6 | C16 | C15 | H8 | 171.7° | 57.6° |
| H7 | C15 | C14 | H9 | 41.8° | 63.2° |
| H7 | C15 | C14 | H10 | 77.6° | 57.0° |
| H8 | C15 | C14 | H9 | 161.4° | 57.0° |
| H8 | C15 | C14 | H10 | 41.9° | 177.2° |
| H11 | C24 | C23 | H13 | 151.4° | 60.0° |
| H11 | C24 | C23 | H14 | 88.1° | 180.0° |
| H11 | C24 | C25 | H15 | 176.4° | 180.0° |
| H11 | C24 | C25 | H16 | 58.0° | 60.0° |
| H12 | C24 | C23 | H13 | 31.4° | 179.9° |
| H12 | C24 | C23 | H14 | 151.9° | 60.0° |
| H12 | C24 | C25 | H15 | 63.6° | 60.0° |
| H12 | C24 | C25 | H16 | 178.0° | 180.0° |
| H15 | C25 | C26 | H26 | 160.8° | 180.0° |
| H15 | C25 | C26 | H27 | 77.1° | 60.1° |
| H16 | C25 | C26 | H26 | 42.5° | 60.0° |
| H16 | C25 | C26 | H27 | 164.6° | 179.9° |
| H17 | C20 | C19 | H19 | 36.9° | 86.1° |
| H17 | C20 | C19 | H20 | 158.8° | 36.3° |
| H17 | C20 | C21 | H25 | 146.0° | 35.3° |
| H18 | C20 | C19 | H19 | 84.7° | 37.7° |
| H18 | C20 | C19 | H20 | 37.2° | 160.1° |
| H18 | C20 | C21 | H25 | 24.4° | 159.1° |
| H25 | C21 | C37 | H36 | 2.9° | 144.5° |
| H25 | C21 | C37 | H37 | 123.6° | 23.3° |
| H28 | C31 | C32 | H29 | 0.4° | 0.2° |
| H30 | C33 | C34 | H32 | 80.9° | 50.4° |
| H30 | C33 | C34 | H33 | 37.6° | 170.8° |
| H31 | C33 | C34 | H32 | 38.5° | 69.1° |
| H31 | C33 | C34 | H33 | 157.0° | 51.3° |
| H32 | C34 | C35 | H34 | 0.4° | 63.3° |
| H32 | C34 | C35 | H35 | 118.2° | 57.5° |
| H33 | C34 | C35 | H34 | 118.1° | 176.3° |
| H33 | C34 | C35 | H35 | 0.3° | 62.9° |
| H34 | C35 | N36 | H38 | 39.9° | 105.4° |
| H35 | C35 | N36 | H38 | 157.8° | 15.5° |
