A1LU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C25 | doub | 1.21Å | 1.26Å | |
| O30 | C25 | sing | 1.34Å | 1.26Å | |
| C25 | C19 | sing | 1.51Å | 1.51Å | |
| O13 | C08 | doub | 1.21Å | 1.18Å | |
| C15 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | N04 | sing | 1.37Å | 1.44Å | |
| C08 | C12 | sing | 1.51Å | 1.55Å | |
| O29 | C24 | doub | 1.21Å | 1.18Å | |
| C20 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C12 | sing | 1.53Å | 1.52Å | |
| N04 | C01 | sing | 1.49Å | 1.44Å | |
| C12 | N18 | sing | 1.48Å | 1.45Å | |
| C05 | C02 | sing | 1.51Å | 1.53Å | |
| C05 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| N38 | C34 | sing | 1.47Å | 1.45Å | |
| C24 | N18 | sing | 1.36Å | 1.46Å | |
| C24 | C28 | sing | 1.51Å | 1.51Å | |
| C14 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| O07 | C03 | doub | 1.21Å | 1.18Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | C03 | sing | 1.51Å | 1.53Å | |
| C34 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | N35 | sing | 1.48Å | 1.46Å | |
| C03 | N06 | sing | 1.36Å | 1.45Å | |
| N21 | C26 | sing | 1.49Å | 1.46Å | |
| N21 | C16 | sing | 1.37Å | 1.48Å | |
| C27 | C23 | sing | 1.53Å | 1.53Å | |
| N06 | C11 | sing | 1.48Å | 1.45Å | |
| C26 | C32 | sing | 1.51Å | 1.55Å | |
| C26 | C33 | sing | 1.53Å | 1.53Å | |
| N35 | C32 | sing | 1.36Å | 1.47Å | |
| C11 | C16 | sing | 1.51Å | 1.54Å | |
| C11 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | O22 | doub | 1.21Å | 1.18Å | |
| C32 | O36 | doub | 1.21Å | 1.19Å | |
| C33 | C37 | sing | 1.53Å | 1.54Å | |
| C23 | C17 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | N40 | sing | 1.46Å | 1.45Å | |
| N42 | C41 | doub | 1.30Å | 1.45Å | |
| N40 | C41 | sing | 1.37Å | 1.45Å | |
| C41 | N43 | sing | 1.37Å | 1.25Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| N04 | H12 | sing | 0.97Å | 1.00Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| O30 | H26 | sing | 0.97Å | 0.95Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| N35 | H31 | sing | 0.97Å | 1.00Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| N38 | H34 | sing | 1.01Å | 1.00Å | |
| N38 | H35 | sing | 1.01Å | 1.00Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| N40 | H39 | sing | 0.97Å | 1.00Å | |
| N42 | H40 | sing | 0.97Å | 1.00Å | |
| N43 | H42 | sing | 0.97Å | 1.00Å | |
| N43 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C25 | O30 | 121.5° | 120.0° |
| O31 | C25 | C19 | 116.5° | 120.0° |
| O30 | C25 | C19 | 122.0° | 120.0° |
| C25 | O30 | H26 | 109.5° | 117.1° |
| C25 | C19 | C12 | 110.7° | 109.4° |
| C25 | C19 | H19 | 109.2° | 109.5° |
| C25 | C19 | H20 | 109.2° | 109.4° |
| O13 | C08 | N04 | 114.6° | 120.7° |
| O13 | C08 | C12 | 122.2° | 120.6° |
| C10 | C15 | C20 | 119.7° | 120.0° |
| C15 | C10 | C05 | 120.7° | 120.0° |
| C15 | C10 | H1 | 119.7° | 120.0° |
| C10 | C15 | H2 | 120.1° | 120.0° |
| C15 | C20 | C14 | 119.8° | 120.0° |
| C20 | C15 | H2 | 120.1° | 120.0° |
| C15 | C20 | H5 | 120.1° | 120.0° |
| C10 | C05 | C02 | 121.0° | 120.0° |
| C10 | C05 | C09 | 119.5° | 120.0° |
| C05 | C10 | H1 | 119.7° | 120.0° |
| N04 | C08 | C12 | 123.2° | 118.7° |
| C08 | N04 | C01 | 124.6° | 114.1° |
| C08 | N04 | H12 | 117.8° | 123.0° |
| C08 | C12 | C19 | 113.3° | 109.7° |
| C08 | C12 | N18 | 108.8° | 108.2° |
| C08 | C12 | H16 | 108.4° | 109.7° |
| O29 | C24 | N18 | 122.7° | 120.5° |
| O29 | C24 | C28 | 115.8° | 120.5° |
| C20 | C14 | C09 | 120.3° | 120.0° |
| C14 | C20 | H5 | 120.1° | 120.0° |
| C20 | C14 | H17 | 119.9° | 120.0° |
| C19 | C12 | N18 | 107.7° | 109.7° |
| C19 | C12 | H16 | 108.8° | 109.8° |
| C12 | C19 | H19 | 109.2° | 109.5° |
| C12 | C19 | H20 | 109.1° | 109.4° |
| N04 | C01 | C02 | 110.8° | 109.7° |
| N04 | C01 | C03 | 103.5° | 108.2° |
| N04 | C01 | H9 | 111.0° | 109.7° |
| C01 | N04 | H12 | 117.7° | 122.9° |
| C12 | N18 | C24 | 123.0° | 115.9° |
| N18 | C12 | H16 | 109.7° | 109.7° |
| C12 | N18 | H18 | 118.5° | 122.0° |
| C02 | C05 | C09 | 119.5° | 120.0° |
| C05 | C02 | C01 | 114.8° | 109.5° |
| C05 | C02 | H10 | 108.1° | 109.4° |
| C05 | C02 | H11 | 108.1° | 109.4° |
| C05 | C09 | C14 | 120.0° | 120.0° |
| C05 | C09 | H14 | 120.0° | 120.0° |
| N38 | C34 | C27 | 110.7° | 109.5° |
| N38 | C34 | H29 | 109.1° | 109.5° |
| N38 | C34 | H30 | 109.2° | 109.5° |
| C34 | N38 | H34 | 109.5° | 111.0° |
| C34 | N38 | H35 | 109.5° | 111.0° |
| N18 | C24 | C28 | 121.5° | 118.9° |
| C24 | N18 | H18 | 118.5° | 122.1° |
| C24 | C28 | N35 | 117.4° | 108.1° |
| C24 | C28 | H7 | 107.4° | 109.8° |
| C24 | C28 | H8 | 107.4° | 109.7° |
| C14 | C09 | H14 | 120.0° | 120.0° |
| C09 | C14 | H17 | 119.8° | 120.0° |
| O07 | C03 | C01 | 118.4° | 120.5° |
| O07 | C03 | N06 | 118.7° | 120.4° |
| C02 | C01 | C03 | 111.9° | 109.7° |
| C02 | C01 | H9 | 109.8° | 109.7° |
| C01 | C02 | H10 | 108.1° | 109.5° |
| C01 | C02 | H11 | 108.1° | 109.5° |
| C01 | C03 | N06 | 122.8° | 119.1° |
| C03 | C01 | H9 | 109.7° | 109.7° |
| C34 | C27 | C23 | 112.0° | 109.5° |
| C34 | C27 | H24 | 108.8° | 109.5° |
| C34 | C27 | H25 | 108.8° | 109.5° |
| C27 | C34 | H29 | 109.2° | 109.4° |
| C27 | C34 | H30 | 109.1° | 109.5° |
| C28 | N35 | C32 | 129.9° | 115.8° |
| N35 | C28 | H7 | 107.5° | 109.8° |
| N35 | C28 | H8 | 107.5° | 109.8° |
| C28 | N35 | H31 | 115.1° | 122.1° |
| C03 | N06 | C11 | 116.9° | 116.0° |
| C03 | N06 | H13 | 121.6° | 122.0° |
| C26 | N21 | C16 | 122.4° | 114.2° |
| N21 | C26 | C32 | 108.9° | 108.1° |
| N21 | C26 | C33 | 110.8° | 109.8° |
| N21 | C26 | H6 | 109.6° | 109.8° |
| C26 | N21 | H21 | 118.8° | 122.9° |
| N21 | C16 | C11 | 121.3° | 118.5° |
| N21 | C16 | O22 | 121.8° | 120.8° |
| C16 | N21 | H21 | 118.8° | 122.9° |
| C27 | C23 | C17 | 111.4° | 109.5° |
| C27 | C23 | H22 | 109.0° | 109.4° |
| C27 | C23 | H23 | 109.0° | 109.5° |
| C23 | C27 | H24 | 108.8° | 109.5° |
| C23 | C27 | H25 | 108.9° | 109.5° |
| N06 | C11 | C16 | 106.9° | 108.7° |
| N06 | C11 | C17 | 110.2° | 109.6° |
| C11 | N06 | H13 | 121.5° | 122.0° |
| N06 | C11 | H15 | 110.4° | 109.6° |
| C32 | C26 | C33 | 110.4° | 109.7° |
| C26 | C32 | N35 | 127.9° | 119.3° |
| C26 | C32 | O36 | 118.3° | 120.3° |
| C32 | C26 | H6 | 108.5° | 109.7° |
| C26 | C33 | C37 | 113.3° | 109.4° |
| C33 | C26 | H6 | 108.7° | 109.8° |
| C26 | C33 | H27 | 108.5° | 109.4° |
| C26 | C33 | H28 | 108.5° | 109.5° |
| N35 | C32 | O36 | 113.8° | 120.4° |
| C32 | N35 | H31 | 115.0° | 122.1° |
| C16 | C11 | C17 | 110.7° | 109.6° |
| C11 | C16 | O22 | 116.9° | 120.7° |
| C16 | C11 | H15 | 109.2° | 109.6° |
| C11 | C17 | C23 | 110.8° | 109.4° |
| C11 | C17 | H3 | 109.1° | 109.5° |
| C11 | C17 | H4 | 109.1° | 109.5° |
| C17 | C11 | H15 | 109.4° | 109.8° |
| C33 | C37 | C39 | 112.4° | 109.4° |
| C37 | C33 | H27 | 108.5° | 109.5° |
| C37 | C33 | H28 | 108.5° | 109.5° |
| C33 | C37 | H32 | 108.7° | 109.5° |
| C33 | C37 | H33 | 108.7° | 109.5° |
| C23 | C17 | H3 | 109.1° | 109.5° |
| C23 | C17 | H4 | 109.1° | 109.4° |
| C17 | C23 | H22 | 109.0° | 109.5° |
| C17 | C23 | H23 | 109.0° | 109.5° |
| C37 | C39 | N40 | 111.2° | 109.5° |
| C39 | C37 | H32 | 108.8° | 109.5° |
| C39 | C37 | H33 | 108.8° | 109.4° |
| C37 | C39 | H37 | 109.1° | 109.5° |
| C37 | C39 | H38 | 109.0° | 109.4° |
| C39 | N40 | C41 | 120.7° | 120.0° |
| N40 | C39 | H37 | 109.0° | 109.5° |
| N40 | C39 | H38 | 109.0° | 109.5° |
| C39 | N40 | H39 | 119.6° | 120.0° |
| N42 | C41 | N40 | 120.3° | 120.0° |
| N42 | C41 | N43 | 119.7° | 120.0° |
| C41 | N42 | H40 | 112.0° | 119.9° |
| N40 | C41 | N43 | 120.1° | 120.0° |
| C41 | N40 | H39 | 119.7° | 120.0° |
| C41 | N43 | H42 | 120.0° | 120.0° |
| C41 | N43 | H43 | 120.0° | 120.0° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.8° |
| H10 | C02 | H11 | 109.4° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.4° | 109.5° |
| H34 | N38 | H35 | 109.5° | 111.0° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H42 | N43 | H43 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C25 | O30 | C19 | 179.2° | 179.9° |
| O31 | C25 | C19 | C12 | 101.4° | 0.1° |
| O31 | C25 | C19 | H19 | 138.4° | 119.9° |
| O31 | C25 | C19 | H20 | 18.7° | 120.0° |
| O31 | C25 | O30 | H26 | 0.0° | 0.0° |
| O30 | C25 | C19 | C12 | 79.4° | 180.0° |
| O30 | C25 | C19 | H19 | 40.8° | 60.0° |
| O30 | C25 | C19 | H20 | 160.5° | 60.1° |
| C25 | C19 | C12 | C08 | 32.8° | 179.2° |
| C25 | C19 | C12 | H19 | 120.2° | 120.1° |
| C25 | C19 | C12 | H20 | 120.2° | 119.9° |
| C25 | C19 | C12 | N18 | 153.3° | 60.4° |
| C25 | C19 | C12 | H16 | 87.9° | 60.3° |
| C25 | C19 | H19 | H20 | 119.5° | 120.0° |
| C19 | C25 | O30 | H26 | 179.2° | 180.0° |
| O13 | C08 | N04 | C12 | 178.1° | 180.0° |
| O13 | C08 | C12 | C19 | 22.6° | 149.6° |
| O13 | C08 | N04 | C01 | 177.3° | 1.2° |
| O13 | C08 | C12 | N18 | 97.2° | 29.9° |
| O13 | C08 | N04 | H12 | 2.7° | 178.7° |
| O13 | C08 | C12 | H16 | 143.4° | 89.8° |
| C10 | C15 | C20 | H2 | 180.0° | 180.0° |
| C15 | C10 | C05 | H1 | 180.0° | 179.7° |
| C10 | C15 | C20 | C14 | 0.0° | 0.0° |
| C15 | C10 | C05 | C02 | 179.6° | 179.8° |
| C15 | C10 | C05 | C09 | 0.0° | 0.3° |
| C10 | C15 | C20 | H5 | 180.0° | 180.0° |
| C20 | C15 | C10 | C05 | 0.0° | 0.0° |
| C15 | C20 | C14 | H5 | 180.0° | 180.0° |
| C15 | C20 | C14 | C09 | 0.1° | 0.3° |
| C20 | C15 | C10 | H1 | 180.0° | 179.7° |
| C15 | C20 | C14 | H17 | 179.9° | 180.0° |
| C10 | C05 | C02 | C09 | 179.6° | 179.9° |
| C10 | C05 | C09 | C14 | 0.1° | 0.7° |
| C10 | C05 | C02 | C01 | 52.7° | 90.0° |
| C05 | C10 | C15 | H2 | 180.0° | 180.0° |
| C10 | C05 | C02 | H10 | 173.5° | 30.0° |
| C10 | C05 | C02 | H11 | 68.1° | 150.0° |
| C10 | C05 | C09 | H14 | 179.9° | 180.0° |
| N04 | C08 | C12 | C19 | 159.4° | 30.3° |
| C08 | N04 | C01 | H12 | 180.0° | 179.9° |
| N04 | C08 | C12 | N18 | 80.8° | 150.0° |
| C08 | N04 | C01 | C02 | 121.8° | 175.6° |
| C08 | N04 | C01 | C03 | 118.2° | 64.7° |
| C08 | N04 | C01 | H9 | 0.5° | 55.0° |
| N04 | C08 | C12 | H16 | 38.5° | 90.3° |
| C08 | C12 | C19 | N18 | 120.5° | 118.8° |
| C08 | C12 | C19 | H16 | 120.7° | 120.6° |
| C12 | C08 | N04 | C01 | 0.8° | 178.8° |
| C08 | C12 | N18 | H16 | 118.5° | 119.7° |
| C08 | C12 | N18 | C24 | 38.5° | 69.8° |
| C12 | C08 | N04 | H12 | 179.2° | 1.3° |
| C08 | C12 | N18 | H18 | 141.5° | 110.2° |
| C08 | C12 | C19 | H19 | 153.0° | 60.8° |
| C08 | C12 | C19 | H20 | 87.4° | 59.2° |
| O29 | C24 | N18 | C12 | 2.3° | 4.6° |
| O29 | C24 | N18 | C28 | 178.1° | 179.7° |
| O29 | C24 | C28 | N35 | 142.8° | 72.0° |
| O29 | C24 | C28 | H7 | 96.1° | 168.3° |
| O29 | C24 | C28 | H8 | 21.6° | 47.6° |
| O29 | C24 | N18 | H18 | 177.7° | 175.4° |
| C20 | C14 | C09 | C05 | 0.1° | 0.7° |
| C20 | C14 | C09 | H17 | 180.0° | 179.6° |
| C14 | C20 | C15 | H2 | 180.0° | 180.0° |
| C20 | C14 | C09 | H14 | 179.9° | 180.0° |
| C19 | C12 | N18 | H16 | 118.3° | 120.7° |
| C19 | C12 | N18 | C24 | 84.7° | 49.9° |
| C19 | C12 | N18 | H18 | 95.3° | 130.1° |
| C12 | C19 | H19 | H20 | 119.4° | 120.0° |
| N04 | C01 | C02 | C05 | 72.1° | 66.2° |
| N04 | C01 | C03 | O07 | 15.3° | 39.8° |
| N04 | C01 | C02 | C03 | 114.9° | 118.8° |
| N04 | C01 | C02 | H9 | 123.0° | 120.6° |
| N04 | C01 | C03 | H9 | 118.5° | 119.7° |
| N04 | C01 | C03 | N06 | 164.0° | 140.2° |
| N04 | C01 | C02 | H10 | 167.0° | 173.8° |
| N04 | C01 | C02 | H11 | 48.7° | 53.7° |
| C12 | N18 | C24 | H18 | 180.0° | 180.0° |
| C12 | N18 | C24 | C28 | 179.6° | 175.1° |
| N18 | C12 | C19 | H19 | 86.6° | 179.5° |
| N18 | C12 | C19 | H20 | 33.1° | 59.5° |
| C02 | C05 | C09 | C14 | 179.7° | 179.4° |
| C05 | C02 | C01 | H10 | 120.8° | 120.0° |
| C05 | C02 | C01 | H11 | 120.8° | 120.0° |
| C05 | C02 | C01 | C03 | 42.7° | 175.0° |
| C02 | C05 | C10 | H1 | 0.4° | 0.0° |
| C05 | C02 | C01 | H9 | 164.9° | 54.4° |
| C05 | C02 | H10 | H11 | 117.6° | 119.9° |
| C02 | C05 | C09 | H14 | 0.4° | 0.1° |
| C05 | C09 | C14 | H14 | 180.0° | 179.3° |
| C09 | C05 | C02 | C01 | 127.7° | 89.9° |
| C09 | C05 | C10 | H1 | 180.0° | 179.9° |
| C09 | C05 | C02 | H10 | 6.9° | 150.1° |
| C09 | C05 | C02 | H11 | 111.4° | 30.1° |
| C05 | C09 | C14 | H17 | 179.9° | 179.7° |
| N38 | C34 | C27 | H29 | 120.2° | 120.0° |
| N38 | C34 | C27 | H30 | 120.2° | 120.0° |
| N38 | C34 | C27 | C23 | 125.9° | 180.0° |
| N38 | C34 | C27 | H24 | 5.6° | 60.0° |
| N38 | C34 | C27 | H25 | 113.7° | 60.0° |
| N38 | C34 | H29 | H30 | 119.4° | 120.0° |
| C34 | N38 | H34 | H35 | 120.0° | 123.9° |
| N18 | C24 | C28 | N35 | 39.0° | 107.7° |
| N18 | C24 | C28 | H7 | 82.2° | 12.0° |
| N18 | C24 | C28 | H8 | 160.1° | 132.7° |
| C24 | N18 | C12 | H16 | 157.1° | 170.6° |
| C24 | C28 | N35 | H7 | 121.1° | 119.7° |
| C24 | C28 | N35 | H8 | 121.1° | 119.6° |
| C24 | C28 | N35 | C32 | 100.3° | 68.8° |
| C24 | C28 | H7 | H8 | 116.4° | 120.6° |
| C28 | C24 | N18 | H18 | 0.4° | 4.8° |
| C24 | C28 | N35 | H31 | 79.7° | 111.3° |
| C09 | C14 | C20 | H5 | 179.9° | 179.6° |
| O07 | C03 | C01 | C02 | 134.6° | 79.9° |
| O07 | C03 | C01 | N06 | 179.4° | 180.0° |
| O07 | C03 | N06 | C11 | 0.8° | 0.0° |
| O07 | C03 | C01 | H9 | 103.2° | 159.5° |
| O07 | C03 | N06 | H13 | 179.2° | 180.0° |
| C02 | C01 | C03 | H9 | 122.2° | 120.6° |
| C02 | C01 | C03 | N06 | 44.8° | 100.1° |
| C01 | C02 | H10 | H11 | 117.6° | 120.0° |
| C02 | C01 | N04 | H12 | 58.2° | 4.3° |
| C01 | C03 | N06 | C11 | 179.8° | 180.0° |
| C03 | C01 | C02 | H10 | 78.1° | 55.0° |
| C03 | C01 | C02 | H11 | 163.5° | 65.0° |
| C03 | C01 | N04 | H12 | 61.8° | 115.4° |
| C01 | C03 | N06 | H13 | 0.2° | 0.1° |
| C34 | C27 | C23 | H24 | 120.4° | 120.0° |
| C34 | C27 | C23 | H25 | 120.4° | 120.0° |
| C34 | C27 | C23 | C17 | 64.8° | 180.0° |
| C34 | C27 | C23 | H22 | 174.9° | 60.0° |
| C34 | C27 | C23 | H23 | 55.5° | 60.0° |
| C34 | C27 | H24 | H25 | 118.8° | 120.0° |
| C27 | C34 | H29 | H30 | 119.4° | 120.0° |
| C27 | C34 | N38 | H34 | 180.0° | 56.1° |
| C27 | C34 | N38 | H35 | 60.0° | 180.0° |
| C28 | N35 | C32 | C26 | 2.2° | 177.0° |
| C28 | N35 | C32 | H31 | 180.0° | 179.9° |
| C28 | N35 | C32 | O36 | 178.8° | 2.9° |
| N35 | C28 | H7 | H8 | 116.4° | 120.7° |
| C03 | N06 | C11 | H13 | 180.0° | 180.0° |
| C03 | N06 | C11 | C16 | 63.8° | 76.7° |
| C03 | N06 | C11 | C17 | 175.8° | 163.6° |
| N06 | C03 | C01 | H9 | 77.4° | 20.5° |
| C03 | N06 | C11 | H15 | 54.8° | 43.0° |
| C26 | N21 | C16 | H21 | 180.0° | 179.9° |
| N21 | C26 | C32 | C33 | 121.9° | 119.7° |
| N21 | C26 | C32 | H6 | 119.2° | 119.7° |
| N21 | C26 | C33 | H6 | 120.4° | 120.7° |
| N21 | C26 | C32 | N35 | 96.1° | 123.1° |
| C26 | N21 | C16 | C11 | 177.0° | 179.3° |
| C26 | N21 | C16 | O22 | 2.4° | 0.6° |
| N21 | C26 | C32 | O36 | 82.9° | 56.8° |
| N21 | C26 | C33 | C37 | 167.9° | 163.4° |
| N21 | C26 | C33 | H27 | 71.5° | 43.5° |
| N21 | C26 | C33 | H28 | 47.4° | 76.5° |
| N21 | C16 | C11 | N06 | 88.8° | 133.7° |
| C16 | N21 | C26 | C32 | 55.3° | 88.5° |
| C16 | N21 | C26 | C33 | 66.3° | 31.1° |
| N21 | C16 | C11 | O22 | 179.4° | 179.9° |
| N21 | C16 | C11 | C17 | 151.2° | 106.6° |
| C16 | N21 | C26 | H6 | 173.8° | 151.8° |
| N21 | C16 | C11 | H15 | 30.7° | 14.0° |
| C27 | C23 | C17 | C11 | 2.5° | 180.0° |
| C27 | C23 | C17 | H22 | 120.3° | 120.0° |
| C27 | C23 | C17 | H23 | 120.3° | 120.0° |
| C27 | C23 | C17 | H3 | 117.7° | 60.0° |
| C27 | C23 | C17 | H4 | 122.7° | 60.0° |
| C27 | C23 | H22 | H23 | 119.1° | 120.0° |
| C23 | C27 | H24 | H25 | 118.9° | 120.0° |
| C23 | C27 | C34 | H29 | 113.9° | 60.0° |
| C23 | C27 | C34 | H30 | 5.8° | 60.0° |
| N06 | C11 | C16 | C17 | 120.0° | 119.7° |
| N06 | C11 | C16 | H15 | 119.5° | 119.7° |
| N06 | C11 | C17 | H15 | 121.6° | 120.4° |
| N06 | C11 | C16 | O22 | 90.6° | 46.2° |
| N06 | C11 | C17 | C23 | 128.0° | 65.0° |
| N06 | C11 | C17 | H3 | 7.8° | 55.0° |
| N06 | C11 | C17 | H4 | 111.8° | 175.0° |
| C32 | C26 | C33 | H6 | 118.8° | 120.6° |
| C26 | C32 | N35 | O36 | 179.0° | 179.9° |
| C32 | C26 | C33 | C37 | 47.2° | 77.9° |
| C32 | C26 | N21 | H21 | 124.7° | 91.6° |
| C32 | C26 | C33 | H27 | 167.7° | 162.1° |
| C32 | C26 | C33 | H28 | 73.4° | 42.1° |
| C26 | C32 | N35 | H31 | 177.8° | 3.0° |
| C33 | C26 | C32 | N35 | 142.0° | 3.5° |
| C33 | C26 | C32 | O36 | 39.0° | 176.5° |
| C26 | C33 | C37 | H27 | 120.6° | 119.9° |
| C26 | C33 | C37 | H28 | 120.6° | 120.0° |
| C26 | C33 | C37 | C39 | 164.8° | 179.2° |
| C33 | C26 | N21 | H21 | 113.7° | 148.8° |
| C26 | C33 | H27 | H28 | 118.3° | 120.0° |
| C26 | C33 | C37 | H32 | 44.4° | 60.8° |
| C26 | C33 | C37 | H33 | 74.7° | 59.3° |
| N35 | C32 | C26 | H6 | 23.1° | 117.2° |
| C32 | N35 | C28 | H7 | 138.6° | 171.5° |
| C32 | N35 | C28 | H8 | 20.8° | 50.8° |
| C16 | C11 | C17 | H15 | 120.4° | 120.4° |
| C16 | C11 | C17 | C23 | 114.0° | 175.8° |
| C16 | C11 | C17 | H3 | 125.8° | 64.2° |
| C16 | C11 | C17 | H4 | 6.2° | 55.9° |
| C16 | C11 | N06 | H13 | 116.2° | 103.3° |
| C11 | C16 | N21 | H21 | 3.0° | 0.8° |
| C17 | C11 | C16 | O22 | 29.4° | 73.5° |
| C11 | C17 | C23 | H3 | 120.2° | 120.0° |
| C11 | C17 | C23 | H4 | 120.2° | 120.0° |
| C11 | C17 | H3 | H4 | 119.4° | 120.1° |
| C17 | C11 | N06 | H13 | 4.2° | 16.4° |
| C11 | C17 | C23 | H22 | 117.8° | 60.0° |
| C11 | C17 | C23 | H23 | 122.8° | 60.0° |
| O22 | C16 | C11 | H15 | 149.9° | 166.0° |
| O22 | C16 | N21 | H21 | 177.6° | 179.3° |
| O36 | C32 | C26 | H6 | 158.0° | 62.9° |
| O36 | C32 | N35 | H31 | 1.2° | 177.0° |
| C33 | C37 | C39 | H32 | 120.4° | 120.0° |
| C33 | C37 | C39 | H33 | 120.4° | 120.0° |
| C33 | C37 | C39 | N40 | 144.3° | 180.0° |
| C37 | C33 | C26 | H6 | 71.6° | 42.7° |
| C37 | C33 | H27 | H28 | 118.2° | 120.1° |
| C33 | C37 | H32 | H33 | 118.6° | 120.0° |
| C33 | C37 | C39 | H37 | 95.5° | 60.0° |
| C33 | C37 | C39 | H38 | 24.0° | 60.0° |
| C23 | C17 | H3 | H4 | 119.4° | 119.9° |
| C23 | C17 | C11 | H15 | 6.4° | 55.4° |
| C17 | C23 | H22 | H23 | 119.1° | 120.0° |
| C17 | C23 | C27 | H24 | 55.6° | 60.0° |
| C17 | C23 | C27 | H25 | 174.8° | 60.0° |
| C37 | C39 | N40 | H37 | 120.3° | 120.1° |
| C37 | C39 | N40 | H38 | 120.3° | 120.0° |
| C37 | C39 | N40 | C41 | 111.3° | 180.0° |
| C39 | C37 | C33 | H27 | 74.6° | 59.3° |
| C39 | C37 | C33 | H28 | 44.3° | 60.7° |
| C39 | C37 | H32 | H33 | 118.7° | 120.0° |
| C37 | C39 | H37 | H38 | 119.2° | 120.0° |
| C37 | C39 | N40 | H39 | 68.7° | 0.0° |
| C39 | N40 | C41 | N42 | 0.2° | 180.0° |
| C39 | N40 | C41 | H39 | 180.0° | 180.0° |
| C39 | N40 | C41 | N43 | 179.9° | 0.0° |
| N40 | C39 | C37 | H32 | 23.9° | 60.0° |
| N40 | C39 | C37 | H33 | 95.3° | 60.0° |
| N40 | C39 | H37 | H38 | 119.2° | 120.0° |
| N42 | C41 | N40 | N43 | 179.9° | 180.0° |
| N42 | C41 | N40 | H39 | 179.8° | 0.0° |
| N42 | C41 | N43 | H42 | 179.9° | 180.0° |
| N42 | C41 | N43 | H43 | 0.1° | 0.0° |
| C41 | N40 | C39 | H37 | 9.0° | 60.0° |
| C41 | N40 | C39 | H38 | 128.5° | 60.0° |
| N40 | C41 | N42 | H40 | 179.9° | 180.0° |
| N40 | C41 | N43 | H42 | 0.0° | 0.0° |
| N40 | C41 | N43 | H43 | 180.0° | 180.0° |
| N43 | C41 | N40 | H39 | 0.1° | 180.0° |
| N43 | C41 | N42 | H40 | 0.0° | 0.0° |
| C41 | N43 | H42 | H43 | 180.0° | 180.0° |
| H1 | C10 | C15 | H2 | 0.0° | 0.3° |
| H2 | C15 | C20 | H5 | 0.0° | 0.1° |
| H3 | C17 | C11 | H15 | 113.8° | 175.4° |
| H3 | C17 | C23 | H22 | 122.0° | 180.0° |
| H3 | C17 | C23 | H23 | 2.6° | 60.0° |
| H4 | C17 | C11 | H15 | 126.6° | 64.6° |
| H4 | C17 | C23 | H22 | 2.4° | 60.0° |
| H4 | C17 | C23 | H23 | 117.0° | 180.0° |
| H5 | C20 | C14 | H17 | 0.1° | 0.0° |
| H6 | C26 | N21 | H21 | 6.2° | 28.1° |
| H6 | C26 | C33 | H27 | 48.9° | 77.3° |
| H6 | C26 | C33 | H28 | 167.8° | 162.7° |
| H7 | C28 | N35 | H31 | 41.4° | 8.5° |
| H8 | C28 | N35 | H31 | 159.2° | 129.2° |
| H9 | C01 | C02 | H10 | 44.1° | 65.6° |
| H9 | C01 | C02 | H11 | 74.3° | 174.3° |
| H9 | C01 | N04 | H12 | 179.5° | 124.9° |
| H13 | N06 | C11 | H15 | 125.2° | 137.0° |
| H14 | C09 | C14 | H17 | 0.1° | 0.4° |
| H16 | C12 | N18 | H18 | 23.0° | 9.5° |
| H16 | C12 | C19 | H19 | 32.3° | 59.8° |
| H16 | C12 | C19 | H20 | 151.9° | 179.8° |
| H22 | C23 | C27 | H24 | 64.7° | 180.0° |
| H22 | C23 | C27 | H25 | 54.5° | 60.0° |
| H23 | C23 | C27 | H24 | 175.9° | 60.0° |
| H23 | C23 | C27 | H25 | 64.9° | 180.0° |
| H24 | C27 | C34 | H29 | 125.7° | 180.0° |
| H24 | C27 | C34 | H30 | 114.6° | 60.0° |
| H25 | C27 | C34 | H29 | 6.5° | 60.0° |
| H25 | C27 | C34 | H30 | 126.2° | 180.0° |
| H27 | C33 | C37 | H32 | 165.0° | 179.3° |
| H27 | C33 | C37 | H33 | 45.9° | 60.7° |
| H28 | C33 | C37 | H32 | 76.2° | 59.2° |
| H28 | C33 | C37 | H33 | 164.7° | 179.3° |
| H29 | C34 | N38 | H34 | 59.8° | 63.9° |
| H29 | C34 | N38 | H35 | 60.2° | 60.0° |
| H30 | C34 | N38 | H34 | 59.8° | 176.1° |
| H30 | C34 | N38 | H35 | 179.8° | 60.0° |
| H32 | C37 | C39 | H37 | 144.1° | 180.0° |
| H32 | C37 | C39 | H38 | 96.4° | 60.0° |
| H33 | C37 | C39 | H37 | 25.0° | 60.0° |
| H33 | C37 | C39 | H38 | 144.5° | 180.0° |
| H37 | C39 | N40 | H39 | 171.0° | 120.0° |
| H38 | C39 | N40 | H39 | 51.5° | 120.0° |
