A1E94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | O25 | sing | 1.43Å | 1.42Å | |
| C27 | O28 | sing | 1.43Å | 1.39Å | |
| O28 | C21 | sing | 1.36Å | 1.42Å | |
| O25 | C22 | sing | 1.36Å | 1.42Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.47Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.44Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.46Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C19 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C18 | C11 | sing | 1.53Å | 1.52Å | |
| C18 | O29 | sing | 1.43Å | 1.37Å | |
| O09 | C08 | doub | 1.21Å | 1.21Å | |
| C05 | C06 | sing | 1.53Å | 1.59Å | |
| C11 | N10 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C08 | N10 | sing | 1.35Å | 1.46Å | |
| C08 | C07 | sing | 1.51Å | 1.59Å | |
| C06 | C07 | sing | 1.53Å | 1.58Å | |
| C17 | N13 | sing | 1.49Å | 1.25Å | |
| C17 | C16 | sing | 1.55Å | 1.58Å | |
| C12 | N13 | sing | 1.47Å | 1.21Å | |
| N13 | C14 | sing | 1.48Å | 1.59Å | |
| C16 | C15 | sing | 1.55Å | 1.45Å | |
| C15 | C14 | sing | 1.54Å | 1.33Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| O29 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | O25 | 112.5° | 108.2° |
| C26 | C27 | O28 | 112.7° | 108.3° |
| C27 | C26 | H7 | 108.7° | 109.7° |
| C27 | C26 | H8 | 108.7° | 109.8° |
| C26 | C27 | H33 | 108.7° | 109.7° |
| C26 | C27 | H34 | 108.6° | 109.7° |
| C26 | O25 | C22 | 113.6° | 116.7° |
| O25 | C26 | H7 | 108.7° | 109.7° |
| O25 | C26 | H8 | 108.7° | 109.7° |
| C27 | O28 | C21 | 114.0° | 116.7° |
| O28 | C27 | H33 | 108.6° | 109.7° |
| O28 | C27 | H34 | 108.7° | 109.7° |
| O28 | C21 | C22 | 121.1° | 120.8° |
| O28 | C21 | C20 | 119.2° | 119.4° |
| O25 | C22 | C21 | 121.7° | 120.8° |
| O25 | C22 | C23 | 118.2° | 119.4° |
| C01 | C02 | C03 | 112.2° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.4° | 109.4° |
| C01 | C02 | H12 | 108.8° | 109.4° |
| C01 | C02 | H13 | 108.8° | 109.4° |
| C22 | C21 | C20 | 119.7° | 119.8° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C20 | C19 | 120.3° | 120.1° |
| C21 | C20 | H5 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C22 | C23 | H32 | 120.1° | 120.0° |
| C02 | C03 | C04 | 112.2° | 109.5° |
| C03 | C02 | H12 | 108.8° | 109.5° |
| C03 | C02 | H13 | 108.8° | 109.5° |
| C02 | C03 | H14 | 108.8° | 109.5° |
| C02 | C03 | H15 | 108.8° | 109.5° |
| C20 | C19 | C24 | 120.0° | 120.1° |
| C20 | C19 | C18 | 119.9° | 119.9° |
| C19 | C20 | H5 | 119.9° | 120.0° |
| C23 | C24 | C19 | 120.0° | 120.2° |
| C23 | C24 | H6 | 120.0° | 119.9° |
| C24 | C23 | H32 | 120.1° | 120.0° |
| C03 | C04 | C05 | 112.9° | 109.5° |
| C04 | C03 | H14 | 108.8° | 109.5° |
| C04 | C03 | H15 | 108.8° | 109.5° |
| C03 | C04 | H16 | 108.6° | 109.4° |
| C03 | C04 | H17 | 108.6° | 109.5° |
| C24 | C19 | C18 | 120.1° | 120.0° |
| C19 | C24 | H6 | 120.0° | 119.9° |
| C19 | C18 | C11 | 110.2° | 109.5° |
| C19 | C18 | O29 | 109.2° | 109.5° |
| C19 | C18 | H31 | 108.4° | 109.5° |
| C04 | C05 | C06 | 112.0° | 109.5° |
| C05 | C04 | H16 | 108.6° | 109.5° |
| C05 | C04 | H17 | 108.6° | 109.5° |
| C04 | C05 | H18 | 108.8° | 109.5° |
| C04 | C05 | H19 | 108.8° | 109.5° |
| C11 | C18 | O29 | 109.4° | 109.4° |
| C18 | C11 | N10 | 109.8° | 109.5° |
| C18 | C11 | C12 | 109.3° | 109.5° |
| C18 | C11 | H24 | 109.3° | 109.4° |
| C11 | C18 | H31 | 108.8° | 109.4° |
| O29 | C18 | H31 | 110.9° | 109.4° |
| C18 | O29 | H37 | 109.5° | 114.0° |
| O09 | C08 | N10 | 119.6° | 120.0° |
| O09 | C08 | C07 | 120.3° | 120.0° |
| C05 | C06 | C07 | 113.4° | 109.5° |
| C06 | C05 | H18 | 108.8° | 109.4° |
| C06 | C05 | H19 | 108.8° | 109.4° |
| C05 | C06 | H20 | 108.5° | 109.4° |
| C05 | C06 | H21 | 108.5° | 109.4° |
| N10 | C11 | C12 | 109.5° | 109.5° |
| C11 | N10 | C08 | 119.5° | 120.0° |
| N10 | C11 | H24 | 110.3° | 109.5° |
| C11 | N10 | H35 | 120.3° | 120.0° |
| C11 | C12 | N13 | 117.4° | 109.5° |
| C12 | C11 | H24 | 108.7° | 109.5° |
| C11 | C12 | H25 | 107.5° | 109.5° |
| C11 | C12 | H26 | 107.5° | 109.5° |
| N10 | C08 | C07 | 120.2° | 120.0° |
| C08 | N10 | H35 | 120.3° | 120.0° |
| C08 | C07 | C06 | 113.2° | 109.5° |
| C08 | C07 | H22 | 108.5° | 109.5° |
| C08 | C07 | H23 | 108.5° | 109.5° |
| C07 | C06 | H20 | 108.5° | 109.5° |
| C07 | C06 | H21 | 108.5° | 109.5° |
| C06 | C07 | H22 | 108.5° | 109.5° |
| C06 | C07 | H23 | 108.6° | 109.5° |
| N13 | C17 | C16 | 106.4° | 103.2° |
| C17 | N13 | C12 | 117.1° | 111.0° |
| C17 | N13 | C14 | 109.4° | 105.9° |
| N13 | C17 | H3 | 110.2° | 110.7° |
| N13 | C17 | H4 | 110.2° | 110.7° |
| C17 | C16 | C15 | 105.7° | 102.9° |
| C16 | C17 | H3 | 110.2° | 110.7° |
| C16 | C17 | H4 | 110.2° | 110.6° |
| C17 | C16 | H29 | 110.4° | 110.7° |
| C17 | C16 | H30 | 110.4° | 110.8° |
| C12 | N13 | C14 | 113.1° | 111.0° |
| N13 | C12 | H25 | 107.4° | 109.5° |
| N13 | C12 | H26 | 107.5° | 109.5° |
| N13 | C14 | C15 | 107.2° | 107.0° |
| N13 | C14 | H27 | 110.1° | 109.9° |
| N13 | C14 | H28 | 110.0° | 110.1° |
| C16 | C15 | C14 | 105.9° | 105.1° |
| C16 | C15 | H1 | 110.4° | 110.3° |
| C16 | C15 | H2 | 110.4° | 110.4° |
| C15 | C16 | H29 | 110.4° | 110.7° |
| C15 | C16 | H30 | 110.4° | 110.7° |
| C14 | C15 | H1 | 110.4° | 110.3° |
| C14 | C15 | H2 | 110.4° | 110.3° |
| C15 | C14 | H27 | 110.0° | 109.9° |
| C15 | C14 | H28 | 110.0° | 109.9° |
| H1 | C15 | H2 | 109.4° | 110.2° |
| H3 | C17 | H4 | 109.5° | 110.7° |
| H7 | C26 | H8 | 109.4° | 109.8° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.4° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.5° |
| H20 | C06 | H21 | 109.5° | 109.5° |
| H22 | C07 | H23 | 109.4° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.9° |
| H29 | C16 | H30 | 109.4° | 110.8° |
| H33 | C27 | H34 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | O25 | H7 | 120.5° | 119.6° |
| C27 | C26 | O25 | H8 | 120.5° | 119.7° |
| C26 | C27 | O28 | H33 | 120.5° | 119.7° |
| C26 | C27 | O28 | H34 | 120.5° | 119.7° |
| C26 | C27 | O28 | C21 | 44.7° | 46.2° |
| C27 | C26 | O25 | C22 | 40.3° | 46.2° |
| C27 | C26 | H7 | H8 | 118.6° | 120.7° |
| C26 | C27 | H33 | H34 | 118.5° | 120.6° |
| O25 | C26 | C27 | O28 | 58.6° | 59.7° |
| C26 | O25 | C22 | C21 | 13.1° | 17.4° |
| C26 | O25 | C22 | C23 | 167.0° | 162.7° |
| O25 | C26 | H7 | H8 | 118.6° | 120.6° |
| O25 | C26 | C27 | H33 | 61.9° | 60.1° |
| O25 | C26 | C27 | H34 | 179.1° | 179.4° |
| C27 | O28 | C21 | C22 | 17.1° | 17.3° |
| C27 | O28 | C21 | C20 | 163.1° | 162.8° |
| O28 | C27 | C26 | H7 | 61.9° | 59.9° |
| O28 | C27 | C26 | H8 | 179.1° | 179.4° |
| O28 | C27 | H33 | H34 | 118.6° | 120.6° |
| O28 | C21 | C22 | O25 | 0.1° | 0.5° |
| O28 | C21 | C22 | C20 | 179.8° | 179.9° |
| O28 | C21 | C22 | C23 | 179.9° | 179.6° |
| O28 | C21 | C20 | C19 | 179.9° | 179.7° |
| O28 | C21 | C20 | H5 | 0.1° | 0.6° |
| C21 | O28 | C27 | H33 | 75.7° | 73.5° |
| C21 | O28 | C27 | H34 | 165.2° | 165.9° |
| O25 | C22 | C21 | C23 | 179.9° | 179.9° |
| O25 | C22 | C21 | C20 | 179.9° | 179.6° |
| O25 | C22 | C23 | C24 | 180.0° | 180.0° |
| C22 | O25 | C26 | H7 | 80.1° | 73.4° |
| C22 | O25 | C26 | H8 | 160.8° | 166.0° |
| O25 | C22 | C23 | H32 | 0.0° | 0.3° |
| C01 | C02 | C03 | H12 | 120.4° | 120.0° |
| C01 | C02 | C03 | H13 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 164.0° | 180.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 119.9° |
| C01 | C02 | H12 | H13 | 118.7° | 119.9° |
| C01 | C02 | C03 | H14 | 43.5° | 60.0° |
| C01 | C02 | C03 | H15 | 75.6° | 60.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.2° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C20 | H5 | 179.7° | 179.5° |
| C21 | C22 | C23 | H32 | 179.9° | 179.8° |
| C20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | C20 | C19 | H5 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.4° | 0.2° |
| C21 | C20 | C19 | C18 | 179.9° | 179.8° |
| C22 | C23 | C24 | H32 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C22 | C23 | C24 | H6 | 179.8° | 180.0° |
| C02 | C03 | C04 | H14 | 120.4° | 120.1° |
| C02 | C03 | C04 | H15 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 146.9° | 180.0° |
| C03 | C02 | C01 | H9 | 180.0° | 180.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C03 | C02 | C01 | H11 | 60.0° | 59.9° |
| C03 | C02 | H12 | H13 | 118.8° | 120.0° |
| C02 | C03 | H14 | H15 | 118.8° | 120.0° |
| C02 | C03 | C04 | H16 | 26.4° | 60.0° |
| C02 | C03 | C04 | H17 | 92.6° | 60.0° |
| C20 | C19 | C24 | C23 | 0.3° | 0.6° |
| C20 | C19 | C24 | C18 | 179.5° | 180.0° |
| C20 | C19 | C18 | C11 | 92.3° | 95.0° |
| C20 | C19 | C18 | O29 | 147.5° | 145.0° |
| C20 | C19 | C24 | H6 | 179.7° | 180.0° |
| C20 | C19 | C18 | H31 | 26.6° | 25.0° |
| C23 | C24 | C19 | H6 | 180.0° | 179.4° |
| C23 | C24 | C19 | C18 | 179.8° | 179.4° |
| C03 | C04 | C05 | H16 | 120.5° | 120.0° |
| C03 | C04 | C05 | H17 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 155.2° | 180.0° |
| C04 | C03 | C02 | H12 | 75.6° | 60.0° |
| C04 | C03 | C02 | H13 | 43.6° | 60.0° |
| C04 | C03 | H14 | H15 | 118.7° | 120.0° |
| C03 | C04 | H16 | H17 | 118.4° | 120.0° |
| C03 | C04 | C05 | H18 | 84.4° | 60.0° |
| C03 | C04 | C05 | H19 | 34.8° | 60.0° |
| C24 | C19 | C18 | C11 | 88.2° | 85.0° |
| C24 | C19 | C18 | O29 | 32.0° | 35.0° |
| C24 | C19 | C20 | H5 | 179.6° | 180.0° |
| C24 | C19 | C18 | H31 | 152.9° | 155.0° |
| C19 | C24 | C23 | H32 | 179.9° | 179.8° |
| C19 | C18 | C11 | O29 | 120.0° | 120.0° |
| C19 | C18 | C11 | H31 | 118.6° | 120.1° |
| C19 | C18 | O29 | H31 | 119.4° | 120.1° |
| C19 | C18 | C11 | N10 | 82.8° | 55.0° |
| C19 | C18 | C11 | C12 | 157.1° | 175.0° |
| C18 | C19 | C20 | H5 | 0.1° | 0.1° |
| C18 | C19 | C24 | H6 | 0.1° | 0.0° |
| C19 | C18 | C11 | H24 | 38.4° | 65.0° |
| C19 | C18 | O29 | H37 | 180.0° | 60.0° |
| C04 | C05 | C06 | H18 | 120.4° | 120.1° |
| C04 | C05 | C06 | H19 | 120.4° | 120.0° |
| C04 | C05 | C06 | C07 | 176.0° | 180.0° |
| C05 | C04 | C03 | H14 | 92.7° | 59.9° |
| C05 | C04 | C03 | H15 | 26.5° | 60.0° |
| C05 | C04 | H16 | H17 | 118.5° | 120.0° |
| C04 | C05 | H18 | H19 | 118.8° | 120.0° |
| C04 | C05 | C06 | H20 | 55.5° | 59.9° |
| C04 | C05 | C06 | H21 | 63.4° | 60.0° |
| C11 | C18 | O29 | H31 | 120.0° | 119.9° |
| C18 | C11 | N10 | C12 | 120.0° | 120.0° |
| C18 | C11 | N10 | H24 | 120.5° | 120.0° |
| C18 | C11 | C12 | H24 | 119.2° | 120.0° |
| C18 | C11 | N10 | C08 | 100.8° | 127.1° |
| C18 | C11 | C12 | N13 | 159.7° | 174.7° |
| C18 | C11 | C12 | H25 | 38.6° | 65.3° |
| C18 | C11 | C12 | H26 | 79.1° | 54.7° |
| C18 | C11 | N10 | H35 | 79.2° | 53.0° |
| C11 | C18 | O29 | H37 | 59.4° | 60.0° |
| O29 | C18 | C11 | N10 | 37.3° | 65.1° |
| O29 | C18 | C11 | C12 | 82.8° | 55.0° |
| O29 | C18 | C11 | H24 | 158.4° | 175.0° |
| O09 | C08 | N10 | C11 | 0.5° | 5.2° |
| O09 | C08 | N10 | C07 | 179.4° | 180.0° |
| O09 | C08 | C07 | C06 | 53.8° | 0.0° |
| O09 | C08 | C07 | H22 | 66.8° | 120.0° |
| O09 | C08 | C07 | H23 | 174.4° | 120.0° |
| O09 | C08 | N10 | H35 | 179.5° | 174.9° |
| C05 | C06 | C07 | C08 | 74.5° | 180.0° |
| C05 | C06 | C07 | H20 | 120.6° | 120.0° |
| C05 | C06 | C07 | H21 | 120.6° | 120.0° |
| C06 | C05 | C04 | H16 | 34.7° | 60.0° |
| C06 | C05 | C04 | H17 | 84.3° | 60.0° |
| C06 | C05 | H18 | H19 | 118.8° | 119.9° |
| C05 | C06 | H20 | H21 | 118.2° | 119.9° |
| C05 | C06 | C07 | H22 | 46.0° | 60.0° |
| C05 | C06 | C07 | H23 | 164.9° | 60.0° |
| N10 | C11 | C12 | H24 | 120.6° | 120.0° |
| C11 | N10 | C08 | H35 | 180.0° | 179.9° |
| C11 | N10 | C08 | C07 | 179.9° | 174.8° |
| N10 | C11 | C12 | N13 | 80.0° | 54.7° |
| N10 | C11 | C12 | H25 | 158.9° | 174.7° |
| N10 | C11 | C12 | H26 | 41.1° | 65.3° |
| N10 | C11 | C18 | H31 | 158.6° | 175.0° |
| C12 | C11 | N10 | C08 | 139.2° | 112.9° |
| C11 | C12 | N13 | C17 | 33.8° | 168.1° |
| C11 | C12 | N13 | H25 | 121.1° | 120.0° |
| C11 | C12 | N13 | H26 | 121.2° | 120.0° |
| C11 | C12 | N13 | C14 | 94.7° | 74.5° |
| C11 | C12 | H25 | H26 | 116.4° | 120.0° |
| C12 | C11 | C18 | H31 | 38.5° | 65.0° |
| C12 | C11 | N10 | H35 | 40.8° | 67.1° |
| N10 | C08 | C07 | C06 | 125.6° | 180.0° |
| N10 | C08 | C07 | H22 | 113.9° | 60.0° |
| N10 | C08 | C07 | H23 | 5.0° | 60.0° |
| C08 | N10 | C11 | H24 | 19.7° | 7.1° |
| C08 | C07 | C06 | H22 | 120.6° | 120.0° |
| C08 | C07 | C06 | H23 | 120.6° | 120.0° |
| C08 | C07 | C06 | H20 | 46.1° | 60.0° |
| C08 | C07 | C06 | H21 | 164.9° | 60.0° |
| C08 | C07 | H22 | H23 | 118.3° | 120.0° |
| C07 | C08 | N10 | H35 | 0.1° | 5.1° |
| C07 | C06 | C05 | H18 | 63.6° | 59.9° |
| C07 | C06 | C05 | H19 | 55.7° | 60.0° |
| C07 | C06 | H20 | H21 | 118.2° | 120.0° |
| C06 | C07 | H22 | H23 | 118.3° | 120.0° |
| N13 | C17 | C16 | H3 | 119.5° | 118.5° |
| N13 | C17 | C16 | H4 | 119.5° | 118.4° |
| C17 | N13 | C12 | C14 | 128.6° | 117.5° |
| N13 | C17 | C16 | C15 | 12.1° | 37.4° |
| C17 | N13 | C14 | C15 | 16.2° | 25.3° |
| N13 | C17 | H3 | H4 | 121.4° | 123.1° |
| C17 | N13 | C12 | H25 | 87.3° | 71.9° |
| C17 | N13 | C12 | H26 | 155.0° | 48.1° |
| C17 | N13 | C14 | H27 | 103.5° | 94.0° |
| C17 | N13 | C14 | H28 | 135.8° | 144.8° |
| N13 | C17 | C16 | H29 | 131.6° | 81.0° |
| N13 | C17 | C16 | H30 | 107.3° | 155.7° |
| C16 | C17 | N13 | C12 | 128.8° | 159.7° |
| C16 | C17 | N13 | C14 | 1.5° | 39.2° |
| C17 | C16 | C15 | H29 | 119.4° | 118.3° |
| C17 | C16 | C15 | H30 | 119.4° | 118.4° |
| C17 | C16 | C15 | C14 | 22.3° | 21.9° |
| C17 | C16 | C15 | H1 | 97.2° | 140.8° |
| C17 | C16 | C15 | H2 | 141.8° | 97.1° |
| C16 | C17 | H3 | H4 | 121.4° | 123.1° |
| C17 | C16 | H29 | H30 | 121.7° | 123.3° |
| C12 | N13 | C14 | C15 | 116.3° | 145.8° |
| C12 | N13 | C17 | H3 | 9.3° | 81.8° |
| C12 | N13 | C17 | H4 | 111.7° | 41.3° |
| N13 | C12 | C11 | H24 | 40.6° | 65.3° |
| N13 | C12 | H25 | H26 | 116.4° | 120.0° |
| C12 | N13 | C14 | H27 | 124.1° | 26.5° |
| C12 | N13 | C14 | H28 | 3.3° | 94.7° |
| N13 | C14 | C15 | C16 | 23.0° | 1.2° |
| N13 | C14 | C15 | H27 | 119.7° | 119.3° |
| N13 | C14 | C15 | H28 | 119.6° | 119.6° |
| N13 | C14 | C15 | H1 | 96.4° | 117.7° |
| N13 | C14 | C15 | H2 | 142.5° | 120.3° |
| C14 | N13 | C17 | H3 | 121.0° | 157.7° |
| C14 | N13 | C17 | H4 | 118.0° | 79.2° |
| C14 | N13 | C12 | H25 | 144.1° | 45.5° |
| C14 | N13 | C12 | H26 | 26.4° | 165.5° |
| N13 | C14 | H27 | H28 | 121.1° | 121.4° |
| C16 | C15 | C14 | H1 | 119.4° | 118.9° |
| C16 | C15 | C14 | H2 | 119.4° | 119.0° |
| C16 | C15 | H1 | H2 | 121.6° | 122.2° |
| C15 | C16 | C17 | H3 | 107.4° | 155.9° |
| C15 | C16 | C17 | H4 | 131.6° | 81.0° |
| C16 | C15 | C14 | H27 | 96.6° | 118.1° |
| C16 | C15 | C14 | H28 | 142.7° | 120.8° |
| C15 | C16 | H29 | H30 | 121.7° | 123.2° |
| C14 | C15 | H1 | H2 | 121.7° | 122.1° |
| C15 | C14 | H27 | H28 | 121.0° | 121.1° |
| C14 | C15 | C16 | H29 | 141.7° | 96.4° |
| C14 | C15 | C16 | H30 | 97.1° | 140.4° |
| H1 | C15 | C14 | H27 | 143.9° | 122.9° |
| H1 | C15 | C14 | H28 | 23.2° | 1.9° |
| H1 | C15 | C16 | H29 | 22.2° | 22.5° |
| H1 | C15 | C16 | H30 | 143.4° | 100.7° |
| H2 | C15 | C14 | H27 | 22.8° | 0.9° |
| H2 | C15 | C14 | H28 | 97.9° | 120.1° |
| H2 | C15 | C16 | H29 | 98.8° | 144.6° |
| H2 | C15 | C16 | H30 | 22.3° | 21.4° |
| H3 | C17 | C16 | H29 | 12.0° | 37.5° |
| H3 | C17 | C16 | H30 | 133.2° | 85.8° |
| H4 | C17 | C16 | H29 | 108.9° | 160.6° |
| H4 | C17 | C16 | H30 | 12.2° | 37.3° |
| H6 | C24 | C23 | H32 | 0.2° | 0.3° |
| H7 | C26 | C27 | H33 | 177.7° | 179.7° |
| H7 | C26 | C27 | H34 | 58.6° | 59.7° |
| H8 | C26 | C27 | H33 | 58.6° | 59.7° |
| H8 | C26 | C27 | H34 | 60.4° | 60.9° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 59.6° | 60.0° |
| H9 | C01 | C02 | H13 | 59.6° | 60.0° |
| H10 | C01 | C02 | H12 | 60.4° | 60.1° |
| H10 | C01 | C02 | H13 | 179.6° | NaN° |
| H11 | C01 | C02 | H12 | 179.6° | 180.0° |
| H11 | C01 | C02 | H13 | 60.4° | 60.1° |
| H12 | C02 | C03 | H14 | 164.0° | 180.0° |
| H12 | C02 | C03 | H15 | 44.8° | 60.0° |
| H13 | C02 | C03 | H14 | 76.9° | 60.0° |
| H13 | C02 | C03 | H15 | 164.0° | 180.0° |
| H14 | C03 | C04 | H16 | 146.8° | 180.0° |
| H14 | C03 | C04 | H17 | 27.8° | 60.0° |
| H15 | C03 | C04 | H16 | 94.0° | 60.0° |
| H15 | C03 | C04 | H17 | 147.0° | 180.0° |
| H16 | C04 | C05 | H18 | 155.1° | 180.0° |
| H16 | C04 | C05 | H19 | 85.7° | 59.9° |
| H17 | C04 | C05 | H18 | 36.1° | 60.0° |
| H17 | C04 | C05 | H19 | 155.3° | 180.0° |
| H18 | C05 | C06 | H20 | 175.8° | 180.0° |
| H18 | C05 | C06 | H21 | 57.0° | 60.1° |
| H19 | C05 | C06 | H20 | 64.9° | 60.1° |
| H19 | C05 | C06 | H21 | 176.3° | 180.0° |
| H20 | C06 | C07 | H22 | 166.6° | 180.0° |
| H20 | C06 | C07 | H23 | 74.5° | 60.0° |
| H21 | C06 | C07 | H22 | 74.6° | 60.0° |
| H21 | C06 | C07 | H23 | 44.3° | 180.0° |
| H24 | C11 | C12 | H25 | 80.5° | 54.7° |
| H24 | C11 | C12 | H26 | 161.7° | 174.7° |
| H24 | C11 | C18 | H31 | 80.3° | 55.0° |
| H24 | C11 | N10 | H35 | 160.3° | 172.9° |
| H31 | C18 | O29 | H37 | 60.6° | 179.9° |
