L6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.59Å | |
| C13 | C14 | sing | 1.51Å | 1.58Å | |
| C17 | C16 | sing | 1.53Å | 1.42Å | |
| C17 | C19 | sing | 1.55Å | 1.54Å | |
| C17 | O18 | sing | 1.44Å | 1.55Å | |
| C21 | C22 | sing | 1.54Å | 1.62Å | |
| C21 | C19 | sing | 1.55Å | 1.32Å | |
| C22 | N23 | sing | 1.47Å | 1.44Å | |
| C22 | O18 | sing | 1.44Å | 1.31Å | |
| C24 | C25 | doub | 1.35Å | 1.49Å | |
| C24 | N23 | sing | 1.36Å | 1.47Å | |
| C26 | N23 | sing | 1.35Å | 1.48Å | |
| C26 | N27 | sing | 1.33Å | 1.49Å | |
| C26 | O30 | doub | 1.22Å | 1.17Å | |
| C28 | C25 | sing | 1.41Å | 1.49Å | |
| C28 | N27 | doub | 1.33Å | 1.45Å | |
| C28 | N29 | sing | 1.38Å | 1.43Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C02 | C36 | sing | 1.47Å | 1.54Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C03 | C35 | sing | 1.54Å | 1.33Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C33 | sing | 1.55Å | 1.31Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | N07 | sing | 1.35Å | 1.50Å | |
| C06 | O32 | doub | 1.21Å | 1.19Å | |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| C08 | C12 | sing | 1.53Å | 1.55Å | |
| C08 | N07 | sing | 1.46Å | 1.43Å | |
| C09 | O10 | doub | 1.21Å | 1.27Å | |
| C09 | O11 | sing | 1.34Å | 1.26Å | |
| C14 | N15 | sing | 1.35Å | 1.47Å | |
| C14 | O31 | doub | 1.21Å | 1.20Å | |
| C16 | N15 | sing | 1.47Å | 1.48Å | |
| C19 | O20 | sing | 1.43Å | 1.49Å | |
| C33 | C34 | sing | 1.54Å | 1.62Å | |
| C34 | C35 | sing | 1.54Å | 1.59Å | |
| C36 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C45 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.56Å | |
| C39 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C41 | O42 | doub | 1.21Å | 1.25Å | |
| C41 | O43 | sing | 1.34Å | 1.25Å | |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.08Å | 1.08Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| N07 | H33 | sing | 0.97Å | 1.00Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å | |
| N29 | H35 | sing | 0.97Å | 1.00Å | |
| N29 | H36 | sing | 0.97Å | 1.00Å | |
| O11 | H37 | sing | 0.97Å | 0.95Å | |
| O20 | H38 | sing | 0.97Å | 0.95Å | |
| O43 | H39 | sing | 0.97Å | 0.95Å | |
| C03 | C04 | sing | 1.55Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 112.2° | 109.5° |
| C13 | C12 | C08 | 108.3° | 109.5° |
| C12 | C13 | H1 | 108.7° | 109.5° |
| C12 | C13 | H2 | 108.8° | 109.5° |
| C13 | C12 | H15 | 109.8° | 109.5° |
| C13 | C12 | H16 | 109.8° | 109.5° |
| C13 | C14 | N15 | 118.1° | 120.0° |
| C13 | C14 | O31 | 120.3° | 120.0° |
| C14 | C13 | H1 | 108.8° | 109.5° |
| C14 | C13 | H2 | 108.8° | 109.5° |
| C16 | C17 | C19 | 111.1° | 110.4° |
| C16 | C17 | O18 | 110.8° | 110.4° |
| C17 | C16 | N15 | 107.0° | 109.5° |
| C16 | C17 | H3 | 111.4° | 110.3° |
| C17 | C16 | H17 | 110.1° | 109.5° |
| C17 | C16 | H18 | 110.1° | 109.5° |
| C19 | C17 | O18 | 103.9° | 104.8° |
| C17 | C19 | C21 | 104.2° | 104.1° |
| C17 | C19 | O20 | 108.7° | 110.5° |
| C19 | C17 | H3 | 109.7° | 110.3° |
| C17 | C19 | H19 | 109.6° | 110.4° |
| C17 | O18 | C22 | 106.7° | 105.3° |
| O18 | C17 | H3 | 109.6° | 110.4° |
| C22 | C21 | C19 | 103.5° | 104.1° |
| C21 | C22 | N23 | 114.0° | 110.3° |
| C21 | C22 | O18 | 106.8° | 104.8° |
| C22 | C21 | H4 | 110.9° | 110.5° |
| C22 | C21 | H5 | 111.0° | 110.5° |
| C21 | C22 | H6 | 107.5° | 110.4° |
| C21 | C19 | O20 | 111.0° | 110.5° |
| C19 | C21 | H4 | 111.0° | 110.5° |
| C19 | C21 | H5 | 110.9° | 110.5° |
| C21 | C19 | H19 | 113.0° | 110.5° |
| N23 | C22 | O18 | 107.1° | 110.4° |
| C22 | N23 | C24 | 120.0° | 119.8° |
| C22 | N23 | C26 | 120.3° | 119.8° |
| N23 | C22 | H6 | 109.8° | 110.4° |
| O18 | C22 | H6 | 111.7° | 110.4° |
| C25 | C24 | N23 | 119.9° | 119.2° |
| C24 | C25 | C28 | 120.2° | 119.0° |
| C25 | C24 | H7 | 120.1° | 120.3° |
| C24 | C25 | H20 | 119.9° | 120.5° |
| C24 | N23 | C26 | 119.6° | 120.4° |
| N23 | C24 | H7 | 120.1° | 120.4° |
| N23 | C26 | N27 | 120.3° | 121.1° |
| N23 | C26 | O30 | 119.9° | 119.5° |
| N27 | C26 | O30 | 119.7° | 119.5° |
| C26 | N27 | C28 | 120.2° | 120.7° |
| C25 | C28 | N27 | 119.8° | 119.6° |
| C25 | C28 | N29 | 120.4° | 120.2° |
| C28 | C25 | H20 | 119.9° | 120.6° |
| N27 | C28 | N29 | 119.8° | 120.2° |
| C28 | N29 | H35 | 120.0° | 119.9° |
| C28 | N29 | H36 | 120.0° | 120.0° |
| C03 | C02 | C36 | 119.3° | 120.0° |
| C03 | C02 | O01 | 121.2° | 120.0° |
| C02 | C03 | C35 | 113.4° | 110.4° |
| C02 | C03 | H8 | 110.1° | 110.5° |
| C02 | C03 | C04 | 107.4° | 110.5° |
| C36 | C02 | O01 | 119.4° | 120.0° |
| C02 | C36 | C37 | 120.8° | 120.2° |
| C02 | C36 | C45 | 118.6° | 120.2° |
| C03 | C35 | C34 | 101.8° | 106.6° |
| C35 | C03 | H8 | 113.1° | 110.5° |
| C03 | C35 | H25 | 111.3° | 110.1° |
| C03 | C35 | H26 | 111.3° | 110.0° |
| C35 | C03 | C04 | 104.7° | 104.2° |
| C05 | C04 | C33 | 113.3° | 110.7° |
| C04 | C05 | C06 | 117.3° | 109.5° |
| C05 | C04 | H10 | 110.9° | 110.7° |
| C04 | C05 | H12 | 107.5° | 109.5° |
| C04 | C05 | H13 | 107.5° | 109.4° |
| C05 | C04 | C03 | 102.6° | 110.8° |
| C04 | C33 | C34 | 104.2° | 104.2° |
| C33 | C04 | H10 | 114.5° | 110.9° |
| C04 | C33 | H21 | 110.8° | 110.5° |
| C04 | C33 | H22 | 110.8° | 110.5° |
| C33 | C04 | C03 | 105.8° | 102.7° |
| C05 | C06 | N07 | 120.6° | 120.0° |
| C05 | C06 | O32 | 121.4° | 120.0° |
| C06 | C05 | H12 | 107.5° | 109.5° |
| C06 | C05 | H13 | 107.5° | 109.5° |
| N07 | C06 | O32 | 118.0° | 120.0° |
| C06 | N07 | C08 | 114.3° | 120.0° |
| C06 | N07 | H33 | 122.8° | 120.0° |
| C09 | C08 | C12 | 114.0° | 109.5° |
| C09 | C08 | N07 | 106.7° | 109.5° |
| C08 | C09 | O10 | 119.1° | 120.0° |
| C08 | C09 | O11 | 118.9° | 120.1° |
| C09 | C08 | H14 | 108.7° | 109.4° |
| C12 | C08 | N07 | 109.0° | 109.5° |
| C12 | C08 | H14 | 108.3° | 109.4° |
| C08 | C12 | H15 | 109.8° | 109.5° |
| C08 | C12 | H16 | 109.8° | 109.4° |
| N07 | C08 | H14 | 110.0° | 109.5° |
| C08 | N07 | H33 | 122.9° | 120.0° |
| O10 | C09 | O11 | 121.9° | 120.0° |
| C09 | O11 | H37 | 109.5° | 117.1° |
| N15 | C14 | O31 | 121.6° | 120.0° |
| C14 | N15 | C16 | 119.5° | 120.0° |
| C14 | N15 | H34 | 120.3° | 120.0° |
| N15 | C16 | H17 | 110.1° | 109.5° |
| N15 | C16 | H18 | 110.1° | 109.5° |
| C16 | N15 | H34 | 120.2° | 120.0° |
| O20 | C19 | H19 | 110.2° | 110.6° |
| C19 | O20 | H38 | 109.5° | 113.9° |
| C33 | C34 | C35 | 106.4° | 106.6° |
| C34 | C33 | H21 | 110.8° | 110.5° |
| C34 | C33 | H22 | 110.8° | 110.5° |
| C33 | C34 | H23 | 110.2° | 110.0° |
| C33 | C34 | H24 | 110.2° | 110.0° |
| C35 | C34 | H23 | 110.2° | 110.1° |
| C35 | C34 | H24 | 110.2° | 110.0° |
| C34 | C35 | H25 | 111.3° | 110.0° |
| C34 | C35 | H26 | 111.3° | 110.0° |
| C37 | C36 | C45 | 120.6° | 119.7° |
| C36 | C37 | C38 | 120.5° | 119.8° |
| C36 | C37 | H27 | 119.7° | 120.1° |
| C36 | C45 | C44 | 118.8° | 119.8° |
| C36 | C45 | H32 | 120.6° | 120.1° |
| C37 | C38 | C39 | 118.8° | 120.2° |
| C38 | C37 | H27 | 119.7° | 120.1° |
| C37 | C38 | H28 | 120.6° | 119.9° |
| C38 | C39 | C40 | 121.5° | 119.8° |
| C38 | C39 | C44 | 120.1° | 120.4° |
| C39 | C38 | H28 | 120.6° | 119.9° |
| C40 | C39 | C44 | 118.4° | 119.8° |
| C39 | C40 | C41 | 114.9° | 109.5° |
| C39 | C40 | H29 | 108.1° | 109.4° |
| C39 | C40 | H30 | 108.1° | 109.4° |
| C39 | C44 | C45 | 121.1° | 120.1° |
| C39 | C44 | H31 | 119.4° | 119.9° |
| C40 | C41 | O42 | 117.2° | 120.0° |
| C40 | C41 | O43 | 120.4° | 120.0° |
| C41 | C40 | H29 | 108.1° | 109.5° |
| C41 | C40 | H30 | 108.1° | 109.5° |
| O42 | C41 | O43 | 122.4° | 119.9° |
| C41 | O43 | H39 | 109.5° | 117.1° |
| C45 | C44 | H31 | 119.4° | 119.9° |
| C44 | C45 | H32 | 120.6° | 120.1° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 110.6° |
| H8 | C03 | C04 | 107.8° | 110.6° |
| H10 | C04 | C03 | 108.7° | 110.8° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.5° | 110.6° |
| H23 | C34 | H24 | 109.5° | 110.0° |
| H25 | C35 | H26 | 109.5° | 110.0° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H35 | N29 | H36 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H1 | 120.4° | 120.0° |
| C12 | C13 | C14 | H2 | 120.4° | 120.0° |
| C13 | C12 | C08 | C09 | 167.0° | 175.0° |
| C13 | C12 | C08 | H15 | 119.8° | 120.0° |
| C13 | C12 | C08 | H16 | 119.8° | 120.0° |
| C13 | C12 | C08 | N07 | 47.9° | 65.0° |
| C12 | C13 | C14 | N15 | 158.3° | 180.0° |
| C12 | C13 | C14 | O31 | 22.0° | 0.0° |
| C12 | C13 | H1 | H2 | 118.7° | 120.0° |
| C13 | C12 | C08 | H14 | 71.8° | 55.0° |
| C13 | C12 | H15 | H16 | 120.6° | 120.0° |
| C14 | C13 | C12 | C08 | 122.5° | 180.0° |
| C13 | C14 | N15 | O31 | 179.7° | 180.0° |
| C13 | C14 | N15 | C16 | 179.3° | 180.0° |
| C14 | C13 | H1 | H2 | 118.8° | 120.0° |
| C14 | C13 | C12 | H15 | 2.7° | 60.0° |
| C14 | C13 | C12 | H16 | 117.6° | 60.0° |
| C13 | C14 | N15 | H34 | 0.7° | 0.0° |
| C16 | C17 | C19 | O18 | 119.2° | 118.9° |
| C16 | C17 | C19 | H3 | 123.7° | 122.2° |
| C16 | C17 | O18 | H3 | 123.4° | 122.3° |
| C16 | C17 | C19 | C21 | 88.7° | 142.8° |
| C16 | C17 | O18 | C22 | 112.1° | 159.3° |
| C17 | C16 | N15 | C14 | 82.2° | 180.0° |
| C17 | C16 | N15 | H17 | 119.6° | 120.0° |
| C17 | C16 | N15 | H18 | 119.6° | 120.0° |
| C16 | C17 | C19 | O20 | 152.9° | 98.5° |
| C17 | C16 | H17 | H18 | 121.1° | 120.0° |
| C16 | C17 | C19 | H19 | 32.5° | 24.2° |
| C17 | C16 | N15 | H34 | 97.8° | 0.0° |
| C19 | C17 | O18 | H3 | 117.2° | 118.8° |
| C17 | C19 | C21 | C22 | 37.8° | 0.0° |
| C17 | C19 | C21 | O20 | 116.8° | 118.7° |
| C17 | C19 | C21 | H19 | 118.9° | 118.6° |
| C19 | C17 | O18 | C22 | 7.3° | 40.5° |
| C19 | C17 | C16 | N15 | 58.3° | 175.0° |
| C17 | C19 | O20 | H19 | 120.1° | 122.6° |
| C17 | C19 | C21 | H4 | 156.9° | 118.7° |
| C17 | C19 | C21 | H5 | 81.2° | 118.6° |
| C19 | C17 | C16 | H17 | 61.4° | 55.0° |
| C19 | C17 | C16 | H18 | 177.8° | 65.0° |
| C17 | C19 | O20 | H38 | 180.0° | 180.0° |
| C17 | O18 | C22 | C21 | 14.3° | 40.5° |
| O18 | C17 | C19 | C21 | 30.5° | 23.9° |
| C17 | O18 | C22 | N23 | 136.8° | 159.3° |
| O18 | C17 | C16 | N15 | 173.2° | 69.6° |
| O18 | C17 | C19 | O20 | 87.8° | 142.6° |
| C17 | O18 | C22 | H6 | 103.0° | 78.4° |
| O18 | C17 | C16 | H17 | 53.6° | 170.4° |
| O18 | C17 | C16 | H18 | 67.2° | 50.4° |
| O18 | C17 | C19 | H19 | 151.7° | 94.7° |
| C22 | C21 | C19 | H4 | 119.0° | 118.6° |
| C22 | C21 | C19 | H5 | 119.0° | 118.6° |
| C21 | C22 | N23 | O18 | 118.0° | 115.4° |
| C21 | C22 | N23 | H6 | 120.6° | 122.3° |
| C21 | C22 | O18 | H6 | 117.2° | 118.9° |
| C21 | C22 | N23 | C24 | 79.8° | 115.0° |
| C21 | C22 | N23 | C26 | 102.7° | 65.0° |
| C22 | C21 | C19 | O20 | 79.0° | 118.6° |
| C22 | C21 | H4 | H5 | 122.8° | 122.7° |
| C22 | C21 | C19 | H19 | 156.7° | 118.6° |
| C19 | C21 | C22 | N23 | 153.4° | 142.8° |
| C19 | C21 | C22 | O18 | 35.3° | 24.0° |
| C21 | C19 | O20 | H19 | 125.9° | 122.8° |
| C21 | C19 | C17 | H3 | 147.6° | 95.0° |
| C19 | C21 | H4 | H5 | 122.8° | 122.7° |
| C19 | C21 | C22 | H6 | 84.7° | 94.9° |
| C21 | C19 | O20 | H38 | 65.9° | 65.3° |
| N23 | C22 | O18 | H6 | 120.2° | 122.3° |
| C22 | N23 | C24 | C25 | 178.6° | 180.0° |
| C22 | N23 | C24 | C26 | 177.6° | 179.9° |
| C22 | N23 | C26 | N27 | 178.7° | 179.9° |
| C22 | N23 | C26 | O30 | 1.6° | 0.0° |
| N23 | C22 | C21 | H4 | 87.5° | 98.6° |
| N23 | C22 | C21 | H5 | 34.4° | 24.2° |
| C22 | N23 | C24 | H7 | 1.4° | 0.2° |
| O18 | C22 | N23 | C24 | 38.2° | 129.6° |
| O18 | C22 | N23 | C26 | 139.4° | 50.3° |
| C22 | O18 | C17 | H3 | 124.5° | 78.4° |
| O18 | C22 | C21 | H4 | 154.3° | 142.6° |
| O18 | C22 | C21 | H5 | 83.7° | 94.6° |
| C25 | C24 | N23 | H7 | 180.0° | 179.8° |
| C25 | C24 | N23 | C26 | 1.0° | 0.1° |
| C24 | C25 | C28 | H20 | 180.0° | 180.0° |
| C24 | C25 | C28 | N27 | 0.0° | 0.0° |
| C24 | C25 | C28 | N29 | 180.0° | 180.0° |
| C24 | N23 | C26 | N27 | 1.1° | 0.0° |
| C24 | N23 | C26 | O30 | 179.2° | 179.9° |
| N23 | C24 | C25 | C28 | 0.5° | 0.1° |
| C24 | N23 | C22 | H6 | 159.6° | 7.2° |
| N23 | C24 | C25 | H20 | 179.5° | 179.9° |
| N23 | C26 | N27 | O30 | 179.7° | 179.9° |
| N23 | C26 | N27 | C28 | 0.7° | 0.0° |
| C26 | N23 | C22 | H6 | 17.9° | 172.7° |
| C26 | N23 | C24 | H7 | 179.0° | 179.8° |
| C26 | N27 | C28 | C25 | 0.1° | 0.0° |
| C26 | N27 | C28 | N29 | 179.9° | 180.0° |
| O30 | C26 | N27 | C28 | 179.6° | 180.0° |
| C25 | C28 | N27 | N29 | 180.0° | 180.0° |
| C28 | C25 | C24 | H7 | 179.6° | 179.8° |
| C25 | C28 | N29 | H35 | 180.0° | 0.0° |
| C25 | C28 | N29 | H36 | 0.0° | 180.0° |
| N27 | C28 | C25 | H20 | 180.0° | 180.0° |
| N27 | C28 | N29 | H35 | 0.0° | 180.0° |
| N27 | C28 | N29 | H36 | 180.0° | 0.0° |
| N29 | C28 | C25 | H20 | 0.0° | 0.0° |
| C28 | N29 | H35 | H36 | 180.0° | 180.0° |
| C03 | C02 | C36 | O01 | 178.7° | 180.0° |
| C02 | C03 | C35 | H8 | 126.2° | 122.5° |
| C02 | C03 | C35 | C04 | 116.7° | 118.6° |
| C02 | C03 | C04 | C05 | 76.7° | 85.1° |
| C02 | C03 | C04 | C33 | 164.3° | 156.6° |
| C02 | C03 | C35 | C34 | 153.7° | 142.3° |
| C03 | C02 | C36 | C37 | 0.6° | 180.0° |
| C03 | C02 | C36 | C45 | 179.3° | 0.3° |
| C02 | C03 | H8 | C04 | 116.9° | 122.6° |
| C02 | C03 | C04 | H10 | 40.8° | 38.1° |
| C02 | C03 | C35 | H25 | 35.0° | 23.0° |
| C02 | C03 | C35 | H26 | 87.5° | 98.5° |
| C36 | C02 | C03 | C35 | 85.9° | 86.5° |
| C02 | C36 | C37 | C45 | 178.7° | 179.7° |
| C02 | C36 | C37 | C38 | 179.1° | 180.0° |
| C02 | C36 | C45 | C44 | 178.7° | 179.7° |
| C36 | C02 | C03 | H8 | 41.8° | 36.0° |
| C02 | C36 | C37 | H27 | 0.9° | 0.0° |
| C02 | C36 | C45 | H32 | 1.3° | 0.0° |
| C36 | C02 | C03 | C04 | 159.0° | 158.8° |
| O01 | C02 | C03 | C35 | 92.7° | 93.5° |
| O01 | C02 | C36 | C37 | 178.1° | 0.0° |
| O01 | C02 | C36 | C45 | 0.7° | 179.7° |
| O01 | C02 | C03 | H8 | 139.5° | 144.0° |
| O01 | C02 | C03 | C04 | 22.4° | 21.2° |
| C35 | C03 | C04 | C05 | 162.6° | 156.2° |
| C35 | C03 | C04 | C33 | 43.5° | 38.0° |
| C03 | C35 | C34 | C33 | 24.5° | 0.0° |
| C03 | C35 | C34 | H25 | 118.7° | 119.3° |
| C03 | C35 | C34 | H26 | 118.7° | 119.3° |
| C35 | C03 | H8 | C04 | 115.2° | 114.9° |
| C35 | C03 | C04 | H10 | 79.9° | 80.5° |
| C03 | C35 | C34 | H23 | 95.0° | 119.3° |
| C03 | C35 | C34 | H24 | 144.0° | 119.3° |
| C03 | C35 | H25 | H26 | 123.5° | 121.5° |
| C05 | C04 | C33 | H10 | 128.7° | 123.3° |
| C05 | C04 | C33 | C03 | 111.6° | 118.3° |
| C04 | C05 | C06 | H12 | 121.1° | 120.1° |
| C04 | C05 | C06 | H13 | 121.1° | 119.9° |
| C04 | C05 | C06 | N07 | 77.2° | 180.0° |
| C04 | C05 | C06 | O32 | 103.7° | 0.1° |
| C05 | C04 | C33 | C34 | 135.7° | 156.2° |
| C05 | C04 | C03 | H8 | 41.9° | 37.5° |
| C05 | C04 | H10 | C03 | 112.0° | 123.3° |
| C04 | C05 | H12 | H13 | 116.5° | 120.0° |
| C05 | C04 | C33 | H21 | 16.5° | 37.6° |
| C05 | C04 | C33 | H22 | 105.2° | 85.1° |
| C33 | C04 | C05 | C06 | 12.6° | 71.7° |
| C04 | C33 | C34 | H21 | 119.1° | 118.6° |
| C04 | C33 | C34 | H22 | 119.2° | 118.7° |
| C04 | C33 | C34 | C35 | 3.5° | 23.6° |
| C33 | C04 | C03 | H8 | 77.1° | 80.8° |
| C33 | C04 | H10 | C03 | 118.1° | 113.4° |
| C33 | C04 | C05 | H12 | 133.7° | 48.3° |
| C33 | C04 | C05 | H13 | 108.5° | 168.3° |
| C04 | C33 | H21 | H22 | 122.5° | 122.6° |
| C04 | C33 | C34 | H23 | 123.0° | 142.9° |
| C04 | C33 | C34 | H24 | 116.1° | 95.7° |
| C05 | C06 | N07 | O32 | 179.1° | 180.0° |
| C05 | C06 | N07 | C08 | 179.7° | 180.0° |
| C06 | C05 | C04 | H10 | 143.1° | 51.7° |
| C06 | C05 | H12 | H13 | 116.4° | 120.0° |
| C05 | C06 | N07 | H33 | 0.2° | 0.0° |
| C06 | C05 | C04 | C03 | 101.0° | 175.0° |
| C06 | N07 | C08 | C09 | 77.3° | 85.0° |
| C06 | N07 | C08 | C12 | 159.2° | 155.0° |
| C06 | N07 | C08 | H33 | 180.0° | 180.0° |
| N07 | C06 | C05 | H12 | 161.7° | 60.0° |
| N07 | C06 | C05 | H13 | 44.0° | 60.0° |
| C06 | N07 | C08 | H14 | 40.5° | 35.0° |
| O32 | C06 | N07 | C08 | 0.6° | 0.0° |
| O32 | C06 | C05 | H12 | 17.4° | 120.0° |
| O32 | C06 | C05 | H13 | 135.1° | 120.0° |
| O32 | C06 | N07 | H33 | 179.4° | 180.0° |
| C09 | C08 | C12 | N07 | 119.1° | 120.1° |
| C09 | C08 | C12 | H14 | 121.2° | 119.9° |
| C09 | C08 | N07 | H14 | 117.8° | 120.0° |
| C08 | C09 | O10 | O11 | 177.7° | 179.9° |
| C09 | C08 | C12 | H15 | 73.2° | 54.9° |
| C09 | C08 | C12 | H16 | 47.2° | 65.1° |
| C09 | C08 | N07 | H33 | 102.8° | 95.0° |
| C08 | C09 | O11 | H37 | 177.7° | 180.0° |
| C12 | C08 | N07 | H14 | 118.6° | 120.0° |
| C12 | C08 | C09 | O10 | 104.8° | 120.0° |
| C12 | C08 | C09 | O11 | 77.5° | 59.9° |
| C08 | C12 | C13 | H1 | 2.1° | 60.0° |
| C08 | C12 | C13 | H2 | 117.1° | 60.0° |
| C08 | C12 | H15 | H16 | 120.6° | 120.0° |
| C12 | C08 | N07 | H33 | 20.8° | 25.0° |
| N07 | C08 | C09 | O10 | 134.8° | 0.1° |
| N07 | C08 | C09 | O11 | 42.9° | 180.0° |
| N07 | C08 | C12 | H15 | 167.7° | 175.0° |
| N07 | C08 | C12 | H16 | 71.9° | 55.0° |
| O10 | C09 | C08 | H14 | 16.2° | 120.1° |
| O10 | C09 | O11 | H37 | 0.0° | 0.1° |
| O11 | C09 | C08 | H14 | 161.6° | 60.0° |
| C14 | N15 | C16 | H34 | 180.0° | 180.0° |
| N15 | C14 | C13 | H1 | 81.3° | 60.0° |
| N15 | C14 | C13 | H2 | 37.8° | 60.0° |
| C14 | N15 | C16 | H17 | 158.2° | 60.0° |
| C14 | N15 | C16 | H18 | 37.4° | 60.0° |
| O31 | C14 | N15 | C16 | 1.0° | 0.0° |
| O31 | C14 | C13 | H1 | 98.4° | 120.0° |
| O31 | C14 | C13 | H2 | 142.5° | 120.0° |
| O31 | C14 | N15 | H34 | 179.0° | 180.0° |
| N15 | C16 | C17 | H3 | 64.5° | 52.7° |
| N15 | C16 | H17 | H18 | 121.1° | 120.0° |
| O20 | C19 | C17 | H3 | 29.3° | 23.7° |
| O20 | C19 | C21 | H4 | 40.0° | 0.0° |
| O20 | C19 | C21 | H5 | 162.0° | 122.8° |
| C33 | C34 | C35 | H23 | 119.5° | 119.3° |
| C33 | C34 | C35 | H24 | 119.5° | 119.3° |
| C34 | C33 | C04 | H10 | 95.7° | 80.5° |
| C34 | C33 | H21 | H22 | 122.4° | 122.7° |
| C33 | C34 | H23 | H24 | 121.4° | 121.4° |
| C33 | C34 | C35 | H25 | 94.3° | 119.3° |
| C33 | C34 | C35 | H26 | 143.2° | 119.3° |
| C34 | C33 | C04 | C03 | 24.0° | 37.9° |
| C34 | C35 | C03 | H8 | 80.1° | 95.2° |
| C35 | C34 | C33 | H21 | 115.7° | 95.0° |
| C35 | C34 | C33 | H22 | 122.6° | 142.2° |
| C35 | C34 | H23 | H24 | 121.4° | 121.4° |
| C34 | C35 | H25 | H26 | 123.6° | 121.4° |
| C34 | C35 | C03 | C04 | 37.0° | 23.7° |
| C36 | C37 | C38 | H27 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.1° |
| C37 | C36 | C45 | C44 | 0.0° | 0.6° |
| C36 | C37 | C38 | H28 | 179.9° | 180.0° |
| C37 | C36 | C45 | H32 | 180.0° | 179.7° |
| C45 | C36 | C37 | C38 | 0.4° | 0.3° |
| C36 | C45 | C44 | C39 | 0.7° | 0.6° |
| C36 | C45 | C44 | H32 | 180.0° | 179.7° |
| C45 | C36 | C37 | H27 | 179.6° | 179.7° |
| C36 | C45 | C44 | H31 | 179.3° | 179.7° |
| C37 | C38 | C39 | H28 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 178.7° | 180.0° |
| C37 | C38 | C39 | C44 | 0.5° | 0.1° |
| C38 | C39 | C40 | C44 | 178.2° | 179.9° |
| C38 | C39 | C40 | C41 | 56.5° | 90.0° |
| C38 | C39 | C44 | C45 | 0.9° | 0.2° |
| C39 | C38 | C37 | H27 | 179.9° | 179.9° |
| C38 | C39 | C40 | H29 | 64.3° | 150.1° |
| C38 | C39 | C40 | H30 | 177.3° | 30.1° |
| C38 | C39 | C44 | H31 | 179.0° | 180.0° |
| C39 | C40 | C41 | H29 | 120.8° | 120.0° |
| C39 | C40 | C41 | H30 | 120.8° | 120.0° |
| C39 | C40 | C41 | O42 | 91.2° | 0.0° |
| C39 | C40 | C41 | O43 | 89.4° | 180.0° |
| C40 | C39 | C44 | C45 | 179.1° | 179.7° |
| C40 | C39 | C38 | H28 | 1.3° | 0.1° |
| C39 | C40 | H29 | H30 | 117.5° | 120.0° |
| C40 | C39 | C44 | H31 | 0.8° | 0.1° |
| C44 | C39 | C40 | C41 | 125.3° | 89.9° |
| C39 | C44 | C45 | H31 | 180.0° | 179.7° |
| C44 | C39 | C38 | H28 | 179.5° | 180.0° |
| C44 | C39 | C40 | H29 | 113.9° | 30.1° |
| C44 | C39 | C40 | H30 | 4.5° | 150.1° |
| C39 | C44 | C45 | H32 | 179.3° | 179.7° |
| C40 | C41 | O42 | O43 | 179.4° | 180.0° |
| C41 | C40 | H29 | H30 | 117.5° | 120.0° |
| C40 | C41 | O43 | H39 | 179.4° | 180.0° |
| O42 | C41 | C40 | H29 | 148.0° | 120.0° |
| O42 | C41 | C40 | H30 | 29.6° | 120.0° |
| O42 | C41 | O43 | H39 | 0.0° | 0.0° |
| O43 | C41 | C40 | H29 | 31.4° | 60.0° |
| O43 | C41 | C40 | H30 | 149.8° | 60.0° |
| H1 | C13 | C12 | H15 | 117.7° | 60.1° |
| H1 | C13 | C12 | H16 | 121.9° | 179.9° |
| H2 | C13 | C12 | H15 | 123.2° | 180.0° |
| H2 | C13 | C12 | H16 | 2.8° | 60.0° |
| H3 | C17 | C16 | H17 | 175.9° | 67.2° |
| H3 | C17 | C16 | H18 | 55.1° | 172.7° |
| H3 | C17 | C19 | H19 | 91.2° | 146.4° |
| H4 | C21 | C22 | H6 | 34.3° | 23.7° |
| H4 | C21 | C19 | H19 | 84.3° | 122.8° |
| H5 | C21 | C22 | H6 | 156.3° | 146.5° |
| H5 | C21 | C19 | H19 | 37.7° | 0.0° |
| H7 | C24 | C25 | H20 | 0.5° | 0.2° |
| H8 | C03 | C04 | H10 | 159.4° | 160.8° |
| H8 | C03 | C35 | H25 | 161.2° | 145.5° |
| H8 | C03 | C35 | H26 | 38.6° | 24.0° |
| H10 | C04 | C05 | H12 | 95.8° | 171.7° |
| H10 | C04 | C05 | H13 | 22.0° | 68.3° |
| H10 | C04 | C33 | H21 | 145.2° | 160.9° |
| H10 | C04 | C33 | H22 | 23.5° | 38.2° |
| H12 | C05 | C04 | C03 | 20.1° | 65.0° |
| H13 | C05 | C04 | C03 | 137.9° | 55.1° |
| H14 | C08 | C12 | H15 | 48.0° | 65.0° |
| H14 | C08 | C12 | H16 | 168.4° | 175.0° |
| H14 | C08 | N07 | H33 | 139.4° | 145.0° |
| H17 | C16 | N15 | H34 | 21.8° | 120.0° |
| H18 | C16 | N15 | H34 | 142.6° | 120.0° |
| H19 | C19 | O20 | H38 | 60.0° | 57.4° |
| H21 | C33 | C34 | H23 | 3.8° | 24.3° |
| H21 | C33 | C34 | H24 | 124.8° | 145.6° |
| H21 | C33 | C04 | C03 | 95.1° | 80.7° |
| H22 | C33 | C34 | H23 | 117.8° | 98.4° |
| H22 | C33 | C34 | H24 | 3.1° | 22.9° |
| H22 | C33 | C04 | C03 | 143.2° | 156.6° |
| H23 | C34 | C35 | H25 | 146.2° | 121.4° |
| H23 | C34 | C35 | H26 | 23.7° | 0.0° |
| H24 | C34 | C35 | H25 | 25.3° | 0.0° |
| H24 | C34 | C35 | H26 | 97.3° | 121.4° |
| H25 | C35 | C03 | C04 | 81.8° | 95.6° |
| H26 | C35 | C03 | C04 | 155.7° | 142.9° |
| H27 | C37 | C38 | H28 | 0.1° | 0.0° |
| H31 | C44 | C45 | H32 | 0.7° | 0.0° |
