A0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C07 | sing | 1.51Å | 1.55Å | |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C07 | N06 | sing | 1.33Å | 1.45Å | |
| C07 | C08 | doub | 1.36Å | 1.48Å | |
| N06 | C05 | doub | 1.31Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | sing | 1.51Å | 1.55Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | N13 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.34Å | 1.36Å | Aromatic |
| N13 | O14 | sing | 1.21Å | 1.34Å | Aromatic |
| N11 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| O14 | C10 | sing | 1.34Å | 1.31Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C19 | sing | 1.41Å | 1.49Å | |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| C05 | N21 | sing | 1.35Å | 1.49Å | |
| C19 | N21 | sing | 1.35Å | 1.46Å | |
| C19 | O20 | doub | 1.22Å | 1.20Å | |
| N21 | C22 | sing | 1.46Å | 1.49Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N36 | O37 | sing | 1.21Å | 1.43Å | |
| N36 | C35 | doub | 1.30Å | 1.43Å | |
| C22 | C23 | sing | 1.51Å | 1.58Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O37 | C38 | sing | 1.34Å | 1.43Å | |
| C26 | C29 | sing | 1.48Å | 1.56Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C30 | sing | 1.48Å | 1.53Å | |
| C35 | N40 | sing | 1.39Å | 1.42Å | |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | N40 | sing | 1.35Å | 1.44Å | |
| C38 | O39 | doub | 1.22Å | 1.19Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| N40 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C07 | N06 | 119.8° | 120.1° |
| C41 | C07 | C08 | 121.5° | 120.0° |
| C07 | C41 | H33 | 109.5° | 109.5° |
| C07 | C41 | H34 | 109.5° | 109.5° |
| C07 | C41 | H35 | 109.5° | 109.5° |
| C17 | C15 | C16 | 108.2° | 109.5° |
| C17 | C15 | C12 | 111.5° | 109.5° |
| C17 | C15 | C18 | 111.9° | 109.4° |
| C15 | C17 | H1 | 109.5° | 109.4° |
| C15 | C17 | H2 | 109.5° | 109.4° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C01 | C02 | C03 | 109.9° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C01 | C02 | H11 | 109.4° | 109.5° |
| C01 | C02 | H12 | 109.3° | 109.5° |
| N06 | C07 | C08 | 118.7° | 119.9° |
| C07 | N06 | C05 | 121.2° | 121.5° |
| C07 | C08 | C09 | 120.6° | 120.7° |
| C07 | C08 | C19 | 121.1° | 118.6° |
| N06 | C05 | C04 | 118.3° | 119.2° |
| N06 | C05 | N21 | 120.1° | 121.5° |
| C02 | C03 | C04 | 110.8° | 109.4° |
| C03 | C02 | H11 | 109.4° | 109.5° |
| C03 | C02 | H12 | 109.4° | 109.4° |
| C02 | C03 | H13 | 109.1° | 109.5° |
| C02 | C03 | H14 | 109.1° | 109.5° |
| C03 | C04 | C05 | 111.8° | 109.5° |
| C04 | C03 | H13 | 109.1° | 109.4° |
| C04 | C03 | H14 | 109.1° | 109.4° |
| C03 | C04 | H15 | 108.9° | 109.5° |
| C03 | C04 | H16 | 108.9° | 109.5° |
| C16 | C15 | C12 | 107.9° | 109.5° |
| C16 | C15 | C18 | 110.6° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.4° |
| C15 | C16 | H23 | 109.5° | 109.4° |
| C12 | C15 | C18 | 106.7° | 109.4° |
| C15 | C12 | N13 | 124.0° | 126.3° |
| C15 | C12 | N11 | 128.2° | 126.3° |
| C15 | C18 | H24 | 109.5° | 109.5° |
| C15 | C18 | H25 | 109.5° | 109.5° |
| C15 | C18 | H26 | 109.5° | 109.5° |
| N13 | C12 | N11 | 107.8° | 107.4° |
| C12 | N13 | O14 | 108.1° | 110.3° |
| C12 | N11 | C10 | 106.9° | 105.6° |
| N13 | O14 | C10 | 108.7° | 109.8° |
| N11 | C10 | O14 | 108.6° | 106.9° |
| N11 | C10 | C09 | 128.1° | 126.6° |
| O14 | C10 | C09 | 123.4° | 126.6° |
| C10 | C09 | C08 | 111.5° | 109.5° |
| C10 | C09 | H19 | 109.0° | 109.5° |
| C10 | C09 | H20 | 108.9° | 109.4° |
| C09 | C08 | C19 | 118.3° | 120.7° |
| C08 | C09 | H19 | 109.0° | 109.5° |
| C08 | C09 | H20 | 109.0° | 109.5° |
| C08 | C19 | N21 | 119.5° | 118.5° |
| C08 | C19 | O20 | 121.0° | 120.7° |
| C04 | C05 | N21 | 121.6° | 119.3° |
| C05 | C04 | H15 | 108.9° | 109.5° |
| C05 | C04 | H16 | 108.9° | 109.5° |
| C05 | N21 | C19 | 119.5° | 120.0° |
| C05 | N21 | C22 | 122.3° | 120.0° |
| N21 | C19 | O20 | 119.5° | 120.7° |
| C19 | N21 | C22 | 118.2° | 120.0° |
| N21 | C22 | C23 | 107.4° | 109.5° |
| N21 | C22 | H4 | 110.0° | 109.5° |
| N21 | C22 | H5 | 110.0° | 109.5° |
| C27 | C28 | C23 | 119.8° | 120.1° |
| C28 | C27 | C26 | 121.2° | 119.9° |
| C27 | C28 | H7 | 120.1° | 119.9° |
| C28 | C27 | H28 | 119.4° | 120.0° |
| C28 | C23 | C22 | 122.5° | 119.8° |
| C28 | C23 | C24 | 118.6° | 120.3° |
| C23 | C28 | H7 | 120.1° | 120.0° |
| C27 | C26 | C29 | 122.5° | 120.1° |
| C27 | C26 | C25 | 118.9° | 119.7° |
| C26 | C27 | H28 | 119.4° | 120.1° |
| O37 | N36 | C35 | 107.3° | 111.6° |
| N36 | O37 | C38 | 108.3° | 110.9° |
| N36 | C35 | C30 | 127.4° | 126.6° |
| N36 | C35 | N40 | 108.9° | 106.9° |
| C22 | C23 | C24 | 118.9° | 119.9° |
| C23 | C22 | H4 | 110.0° | 109.5° |
| C23 | C22 | H5 | 110.0° | 109.5° |
| C23 | C24 | C25 | 121.5° | 120.2° |
| C23 | C24 | H6 | 119.2° | 119.9° |
| O37 | C38 | N40 | 108.0° | 106.3° |
| O37 | C38 | O39 | 126.4° | 126.9° |
| C29 | C26 | C25 | 118.6° | 120.2° |
| C26 | C29 | C30 | 124.9° | 120.2° |
| C26 | C29 | C34 | 117.6° | 120.2° |
| C26 | C25 | C24 | 120.0° | 119.9° |
| C26 | C25 | H27 | 120.0° | 120.0° |
| C30 | C29 | C34 | 117.5° | 119.6° |
| C29 | C30 | C35 | 122.7° | 120.2° |
| C29 | C30 | C31 | 121.0° | 119.6° |
| C29 | C34 | C33 | 121.9° | 120.0° |
| C29 | C34 | H32 | 119.1° | 120.0° |
| C30 | C35 | N40 | 123.6° | 126.5° |
| C35 | C30 | C31 | 116.2° | 120.2° |
| C35 | N40 | C38 | 107.4° | 104.4° |
| C35 | N40 | H17 | 126.3° | 127.8° |
| C30 | C31 | C32 | 120.8° | 120.0° |
| C30 | C31 | H29 | 119.6° | 120.0° |
| C34 | C33 | C32 | 119.9° | 120.4° |
| C34 | C33 | H31 | 120.1° | 119.8° |
| C33 | C34 | H32 | 119.1° | 120.0° |
| C31 | C32 | C33 | 119.0° | 120.4° |
| C32 | C31 | H29 | 119.6° | 120.0° |
| C31 | C32 | H30 | 120.5° | 119.8° |
| C33 | C32 | H30 | 120.5° | 119.8° |
| C32 | C33 | H31 | 120.1° | 119.7° |
| C25 | C24 | H6 | 119.2° | 119.9° |
| C24 | C25 | H27 | 120.0° | 120.1° |
| N40 | C38 | O39 | 125.5° | 126.9° |
| C38 | N40 | H17 | 126.3° | 127.8° |
| H1 | C17 | H2 | 109.5° | 109.4° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.6° |
| H11 | C02 | H12 | 109.5° | 109.5° |
| H13 | C03 | H14 | 109.5° | 109.6° |
| H15 | C04 | H16 | 109.5° | 109.4° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.4° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H33 | C41 | H35 | 109.4° | 109.5° |
| H34 | C41 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C07 | N06 | C08 | 179.8° | 180.0° |
| C41 | C07 | N06 | C05 | 179.7° | 180.0° |
| C41 | C07 | C08 | C09 | 0.6° | 0.0° |
| C41 | C07 | C08 | C19 | 179.9° | 179.8° |
| C07 | C41 | H33 | H34 | 120.0° | 120.0° |
| C07 | C41 | H33 | H35 | 120.0° | 120.0° |
| C07 | C41 | H34 | H35 | 120.0° | 120.0° |
| C17 | C15 | C16 | C12 | 120.8° | 120.0° |
| C17 | C15 | C16 | C18 | 122.9° | 120.0° |
| C17 | C15 | C12 | C18 | 122.4° | 120.0° |
| C17 | C15 | C12 | N13 | 109.6° | 120.0° |
| C17 | C15 | C12 | N11 | 70.6° | 60.0° |
| C15 | C17 | H1 | H2 | 120.0° | 119.9° |
| C15 | C17 | H1 | H3 | 120.0° | 120.0° |
| C15 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C15 | C16 | H21 | 180.0° | 60.0° |
| C17 | C15 | C16 | H22 | 60.0° | 60.0° |
| C17 | C15 | C16 | H23 | 60.0° | 180.0° |
| C17 | C15 | C18 | H24 | 180.0° | 60.0° |
| C17 | C15 | C18 | H25 | 60.0° | 60.0° |
| C17 | C15 | C18 | H26 | 60.0° | 180.0° |
| C01 | C02 | C03 | H11 | 120.1° | 120.0° |
| C01 | C02 | C03 | H12 | 120.0° | 120.0° |
| C01 | C02 | C03 | C04 | 139.5° | 180.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 119.9° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | H11 | H12 | 119.8° | 120.1° |
| C01 | C02 | C03 | H13 | 19.3° | 60.1° |
| C01 | C02 | C03 | H14 | 100.3° | 60.1° |
| N06 | C07 | C08 | C09 | 179.6° | 180.0° |
| N06 | C07 | C08 | C19 | 0.3° | 0.2° |
| C07 | N06 | C05 | C04 | 179.8° | 180.0° |
| C07 | N06 | C05 | N21 | 0.2° | 0.3° |
| N06 | C07 | C41 | H33 | 0.0° | 0.1° |
| N06 | C07 | C41 | H34 | 120.0° | 120.0° |
| N06 | C07 | C41 | H35 | 120.0° | 120.0° |
| C08 | C07 | N06 | C05 | 0.5° | 0.1° |
| C07 | C08 | C09 | C10 | 69.1° | 95.0° |
| C07 | C08 | C09 | C19 | 179.3° | 179.8° |
| C07 | C08 | C19 | N21 | 0.2° | 0.2° |
| C07 | C08 | C19 | O20 | 179.9° | 180.0° |
| C07 | C08 | C09 | H19 | 51.2° | 25.0° |
| C07 | C08 | C09 | H20 | 170.6° | 145.0° |
| C08 | C07 | C41 | H33 | 179.9° | 180.0° |
| C08 | C07 | C41 | H34 | 59.8° | 60.0° |
| C08 | C07 | C41 | H35 | 60.2° | 60.0° |
| N06 | C05 | C04 | C03 | 37.9° | 2.1° |
| N06 | C05 | C04 | N21 | 179.9° | 179.7° |
| N06 | C05 | N21 | C19 | 0.4° | 0.2° |
| N06 | C05 | N21 | C22 | 178.9° | 179.7° |
| N06 | C05 | C04 | H15 | 82.4° | 122.1° |
| N06 | C05 | C04 | H16 | 158.3° | 117.9° |
| C02 | C03 | C04 | H13 | 120.2° | 120.0° |
| C02 | C03 | C04 | H14 | 120.2° | 120.0° |
| C02 | C03 | C04 | C05 | 130.1° | 180.0° |
| C03 | C02 | C01 | H8 | 180.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 180.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C03 | C02 | H11 | H12 | 119.8° | 120.0° |
| C02 | C03 | H13 | H14 | 119.4° | 120.1° |
| C02 | C03 | C04 | H15 | 109.6° | 60.0° |
| C02 | C03 | C04 | H16 | 9.7° | 60.0° |
| C03 | C04 | C05 | H15 | 120.3° | 120.0° |
| C03 | C04 | C05 | H16 | 120.4° | 120.0° |
| C03 | C04 | C05 | N21 | 142.0° | 177.7° |
| C04 | C03 | C02 | H11 | 100.4° | 60.0° |
| C04 | C03 | C02 | H12 | 19.4° | 60.0° |
| C04 | C03 | H13 | H14 | 119.4° | 120.0° |
| C03 | C04 | H15 | H16 | 118.9° | 120.0° |
| C16 | C15 | C12 | C18 | 118.9° | 120.0° |
| C16 | C15 | C12 | N13 | 9.1° | 0.0° |
| C16 | C15 | C12 | N11 | 170.7° | 180.0° |
| C16 | C15 | C17 | H1 | 180.0° | 60.0° |
| C16 | C15 | C17 | H2 | 60.0° | 180.0° |
| C16 | C15 | C17 | H3 | 60.0° | 60.0° |
| C15 | C16 | H21 | H22 | 120.0° | 120.0° |
| C15 | C16 | H21 | H23 | 120.0° | 119.9° |
| C15 | C16 | H22 | H23 | 120.0° | 120.0° |
| C16 | C15 | C18 | H24 | 59.3° | 59.9° |
| C16 | C15 | C18 | H25 | 60.7° | 180.0° |
| C16 | C15 | C18 | H26 | 179.3° | 60.0° |
| C15 | C12 | N13 | N11 | 179.8° | 180.0° |
| C15 | C12 | N13 | O14 | 179.8° | 180.0° |
| C15 | C12 | N11 | C10 | 179.9° | 179.8° |
| C12 | C15 | C17 | H1 | 61.5° | 60.0° |
| C12 | C15 | C17 | H2 | 178.5° | 59.9° |
| C12 | C15 | C17 | H3 | 58.5° | 180.0° |
| C12 | C15 | C16 | H21 | 59.2° | 60.0° |
| C12 | C15 | C16 | H22 | 60.8° | 180.0° |
| C12 | C15 | C16 | H23 | 179.2° | 60.0° |
| C12 | C15 | C18 | H24 | 57.8° | 180.0° |
| C12 | C15 | C18 | H25 | 177.8° | 60.0° |
| C12 | C15 | C18 | H26 | 62.2° | 60.0° |
| C18 | C15 | C12 | N13 | 128.0° | 120.1° |
| C18 | C15 | C12 | N11 | 51.8° | 60.0° |
| C18 | C15 | C17 | H1 | 57.9° | 180.0° |
| C18 | C15 | C17 | H2 | 62.1° | 60.0° |
| C18 | C15 | C17 | H3 | 177.9° | 60.0° |
| C18 | C15 | C16 | H21 | 57.1° | 180.0° |
| C18 | C15 | C16 | H22 | 177.1° | 60.0° |
| C18 | C15 | C16 | H23 | 62.9° | 60.0° |
| C15 | C18 | H24 | H25 | 120.0° | 120.1° |
| C15 | C18 | H24 | H26 | 120.0° | 120.0° |
| C15 | C18 | H25 | H26 | 120.0° | 120.0° |
| N13 | C12 | N11 | C10 | 0.0° | 0.1° |
| C12 | N13 | O14 | C10 | 0.5° | 0.1° |
| N11 | C12 | N13 | O14 | 0.3° | 0.0° |
| C12 | N11 | C10 | O14 | 0.3° | 0.2° |
| C12 | N11 | C10 | C09 | 179.4° | 180.0° |
| N13 | O14 | C10 | N11 | 0.5° | 0.2° |
| N13 | O14 | C10 | C09 | 179.6° | 180.0° |
| N11 | C10 | O14 | C09 | 179.1° | 179.8° |
| N11 | C10 | C09 | C08 | 3.9° | 90.0° |
| N11 | C10 | C09 | H19 | 116.4° | 150.0° |
| N11 | C10 | C09 | H20 | 124.2° | 30.0° |
| O14 | C10 | C09 | C08 | 177.1° | 90.3° |
| O14 | C10 | C09 | H19 | 62.6° | 29.8° |
| O14 | C10 | C09 | H20 | 56.8° | 149.7° |
| C10 | C09 | C08 | H19 | 120.3° | 120.0° |
| C10 | C09 | C08 | H20 | 120.3° | 120.0° |
| C10 | C09 | C08 | C19 | 111.6° | 84.8° |
| C10 | C09 | H19 | H20 | 119.1° | 119.9° |
| C09 | C08 | C19 | N21 | 179.1° | 180.0° |
| C09 | C08 | C19 | O20 | 0.5° | 0.2° |
| C08 | C09 | H19 | H20 | 119.1° | 120.0° |
| C08 | C19 | N21 | C05 | 0.6° | 0.0° |
| C08 | C19 | N21 | O20 | 179.6° | 179.8° |
| C08 | C19 | N21 | C22 | 178.7° | 179.9° |
| C19 | C08 | C09 | H19 | 128.1° | 155.2° |
| C19 | C08 | C09 | H20 | 8.7° | 35.2° |
| C04 | C05 | N21 | C19 | 179.7° | 180.0° |
| C04 | C05 | N21 | C22 | 1.1° | 0.1° |
| C05 | C04 | C03 | H13 | 9.9° | 60.0° |
| C05 | C04 | C03 | H14 | 109.7° | 60.0° |
| C05 | C04 | H15 | H16 | 119.0° | 120.0° |
| C05 | N21 | C19 | C22 | 179.3° | 179.9° |
| C05 | N21 | C19 | O20 | 179.8° | 179.8° |
| C05 | N21 | C22 | C23 | 99.7° | 95.4° |
| C05 | N21 | C22 | H4 | 140.7° | 144.5° |
| C05 | N21 | C22 | H5 | 20.0° | 24.6° |
| N21 | C05 | C04 | H15 | 97.7° | 57.7° |
| N21 | C05 | C04 | H16 | 21.7° | 62.3° |
| C19 | N21 | C22 | C23 | 79.5° | 84.5° |
| C19 | N21 | C22 | H4 | 40.1° | 35.6° |
| C19 | N21 | C22 | H5 | 160.8° | 155.5° |
| O20 | C19 | N21 | C22 | 0.9° | 0.3° |
| N21 | C22 | C23 | C28 | 10.5° | 95.4° |
| N21 | C22 | C23 | H4 | 119.7° | 120.1° |
| N21 | C22 | C23 | H5 | 119.7° | 120.0° |
| N21 | C22 | C23 | C24 | 169.4° | 84.6° |
| N21 | C22 | H4 | H5 | 121.0° | 119.9° |
| C27 | C28 | C23 | H7 | 180.0° | 179.1° |
| C28 | C27 | C26 | H28 | 180.0° | 179.1° |
| C27 | C28 | C23 | C22 | 179.6° | 179.4° |
| C27 | C28 | C23 | C24 | 0.4° | 0.6° |
| C28 | C27 | C26 | C29 | 178.4° | 179.4° |
| C28 | C27 | C26 | C25 | 1.3° | 0.5° |
| C23 | C28 | C27 | C26 | 0.3° | 0.8° |
| C28 | C23 | C22 | C24 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.2° | 0.0° |
| C28 | C23 | C22 | H4 | 109.1° | 144.6° |
| C28 | C23 | C22 | H5 | 130.2° | 24.7° |
| C28 | C23 | C24 | H6 | 179.9° | 179.7° |
| C23 | C28 | C27 | H28 | 179.7° | 180.0° |
| C27 | C26 | C29 | C25 | 177.1° | 180.0° |
| C27 | C26 | C29 | C30 | 52.5° | 50.1° |
| C27 | C26 | C29 | C34 | 126.3° | 129.7° |
| C27 | C26 | C25 | C24 | 1.5° | 0.0° |
| C26 | C27 | C28 | H7 | 179.7° | 180.0° |
| C27 | C26 | C25 | H27 | 178.5° | 180.0° |
| O37 | N36 | C35 | C30 | 178.3° | 180.0° |
| O37 | N36 | C35 | N40 | 1.5° | 0.2° |
| N36 | O37 | C38 | N40 | 0.4° | 0.0° |
| N36 | O37 | C38 | O39 | 179.5° | 179.9° |
| C35 | N36 | O37 | C38 | 1.1° | 0.1° |
| N36 | C35 | C30 | C29 | 120.6° | 0.2° |
| N36 | C35 | C30 | N40 | 176.4° | 179.8° |
| N36 | C35 | C30 | C31 | 62.4° | 179.8° |
| N36 | C35 | N40 | C38 | 1.2° | 0.2° |
| N36 | C35 | N40 | H17 | 178.8° | 179.8° |
| C22 | C23 | C24 | C25 | 179.9° | 179.9° |
| C23 | C22 | H4 | H5 | 121.0° | 120.0° |
| C22 | C23 | C24 | H6 | 0.1° | 0.3° |
| C22 | C23 | C28 | H7 | 0.4° | 0.3° |
| C23 | C24 | C25 | C26 | 0.8° | 0.3° |
| C23 | C24 | C25 | H6 | 180.0° | 179.8° |
| C24 | C23 | C22 | H4 | 70.9° | 35.4° |
| C24 | C23 | C22 | H5 | 49.8° | 155.3° |
| C24 | C23 | C28 | H7 | 179.6° | 179.7° |
| C23 | C24 | C25 | H27 | 179.2° | 179.7° |
| O37 | C38 | N40 | C35 | 0.5° | 0.1° |
| O37 | C38 | N40 | O39 | 180.0° | 179.8° |
| O37 | C38 | N40 | H17 | 179.5° | 179.8° |
| C26 | C29 | C30 | C34 | 178.8° | 179.8° |
| C26 | C29 | C30 | C35 | 3.2° | 0.0° |
| C26 | C29 | C30 | C31 | 179.9° | 180.0° |
| C26 | C29 | C34 | C33 | 178.9° | 179.7° |
| C29 | C26 | C25 | C24 | 178.7° | 180.0° |
| C29 | C26 | C25 | H27 | 1.2° | 0.0° |
| C29 | C26 | C27 | H28 | 1.6° | 0.3° |
| C26 | C29 | C34 | H32 | 1.1° | 0.1° |
| C25 | C26 | C29 | C30 | 130.4° | 130.0° |
| C25 | C26 | C29 | C34 | 50.8° | 50.2° |
| C26 | C25 | C24 | H27 | 180.0° | 180.0° |
| C26 | C25 | C24 | H6 | 179.2° | 180.0° |
| C25 | C26 | C27 | H28 | 178.7° | 179.7° |
| C29 | C30 | C35 | C31 | 177.1° | 180.0° |
| C29 | C30 | C35 | N40 | 63.0° | 180.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.5° |
| C29 | C30 | C31 | C32 | 1.2° | 0.0° |
| C29 | C30 | C31 | H29 | 178.7° | 180.0° |
| C30 | C29 | C34 | H32 | 180.0° | 179.7° |
| C34 | C29 | C30 | C35 | 178.0° | 179.8° |
| C34 | C29 | C30 | C31 | 1.0° | 0.2° |
| C29 | C34 | C33 | H32 | 180.0° | 179.8° |
| C29 | C34 | C33 | C32 | 1.0° | 0.6° |
| C29 | C34 | C33 | H31 | 179.0° | 179.7° |
| C35 | C30 | C31 | C32 | 178.4° | 180.0° |
| C30 | C35 | N40 | C38 | 178.2° | 180.0° |
| C35 | C30 | C31 | H29 | 1.6° | 0.0° |
| C30 | C35 | N40 | H17 | 1.8° | 0.0° |
| N40 | C35 | C30 | C31 | 114.1° | 0.0° |
| C35 | N40 | C38 | H17 | 180.0° | 180.0° |
| C35 | N40 | C38 | O39 | 179.6° | 180.0° |
| C30 | C31 | C32 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C30 | C31 | C32 | H30 | 179.7° | 179.9° |
| C34 | C33 | C32 | C31 | 0.8° | 0.3° |
| C34 | C33 | C32 | H31 | 180.0° | 179.7° |
| C34 | C33 | C32 | H30 | 179.2° | 179.7° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | H31 | 179.2° | 180.0° |
| C33 | C32 | C31 | H29 | 179.7° | 179.9° |
| C32 | C33 | C34 | H32 | 179.0° | 179.6° |
| O39 | C38 | N40 | H17 | 0.4° | 0.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H6 | C24 | C25 | H27 | 0.8° | 0.0° |
| H7 | C28 | C27 | H28 | 0.3° | 0.9° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 59.9° | 179.9° |
| H8 | C01 | C02 | H12 | 59.9° | 60.0° |
| H9 | C01 | C02 | H11 | 60.1° | 60.1° |
| H9 | C01 | C02 | H12 | 179.9° | 60.0° |
| H10 | C01 | C02 | H11 | 179.9° | 60.0° |
| H10 | C01 | C02 | H12 | 60.0° | 179.9° |
| H11 | C02 | C03 | H13 | 139.4° | 179.9° |
| H11 | C02 | C03 | H14 | 19.8° | 59.9° |
| H12 | C02 | C03 | H13 | 100.8° | 59.9° |
| H12 | C02 | C03 | H14 | 139.6° | 179.9° |
| H13 | C03 | C04 | H15 | 130.2° | 180.0° |
| H13 | C03 | C04 | H16 | 110.5° | 60.0° |
| H14 | C03 | C04 | H15 | 10.6° | 60.0° |
| H14 | C03 | C04 | H16 | 129.9° | 179.9° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
| H24 | C18 | H25 | H26 | 120.0° | 119.9° |
| H29 | C31 | C32 | H30 | 0.3° | 0.1° |
| H30 | C32 | C33 | H31 | 0.8° | 0.0° |
| H31 | C33 | C34 | H32 | 1.0° | 0.0° |
| H33 | C41 | H34 | H35 | 120.0° | 120.0° |
