U76
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C15 | sing | 1.47Å | 1.56Å | |
| N16 | C17 | sing | 1.34Å | 1.57Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.54Å | 1.30Å | |
| O26 | C21 | doub | 1.21Å | 1.19Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | N22 | sing | 1.46Å | 1.48Å | |
| C14 | C13 | sing | 1.55Å | 1.67Å | |
| C17 | O18 | doub | 1.21Å | 1.17Å | |
| C17 | C13 | sing | 1.51Å | 1.30Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C21 | N22 | sing | 1.35Å | 1.47Å | |
| C21 | C19 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C11 | N10 | sing | 1.46Å | 1.48Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| N10 | C09 | sing | 1.35Å | 1.46Å | |
| O27 | C09 | doub | 1.21Å | 1.19Å | |
| C09 | C08 | sing | 1.51Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.45Å | |
| C03 | C02 | sing | 1.50Å | 1.58Å | |
| F42 | C41 | sing | 1.35Å | 1.38Å | |
| C04 | C05 | sing | 1.53Å | 1.47Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N07 | sing | 1.33Å | 1.54Å | |
| C40 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.47Å | 1.46Å | |
| N07 | C06 | sing | 1.46Å | 1.56Å | |
| F39 | C38 | sing | 1.35Å | 1.38Å | |
| C05 | C06 | sing | 1.53Å | 1.49Å | |
| C05 | N32 | sing | 1.46Å | 1.50Å | |
| C08 | C28 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| O44 | C33 | doub | 1.22Å | 1.20Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| N32 | C33 | sing | 1.35Å | 1.50Å | |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.56Å | |
| C33 | O34 | sing | 1.35Å | 1.44Å | |
| O34 | C35 | sing | 1.45Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| N10 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N16 | H22 | sing | 0.97Å | 1.00Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O20 | H24 | sing | 0.97Å | 0.95Å | |
| N22 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| N32 | H36 | sing | 0.97Å | 1.00Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C43 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N16 | C17 | 105.6° | 111.2° |
| N16 | C15 | C14 | 106.6° | 105.4° |
| N16 | C15 | H2 | 110.2° | 110.3° |
| N16 | C15 | H3 | 110.2° | 110.4° |
| C15 | N16 | H22 | 127.2° | 124.4° |
| N16 | C17 | O18 | 125.2° | 124.9° |
| N16 | C17 | C13 | 107.6° | 110.1° |
| C17 | N16 | H22 | 127.2° | 124.4° |
| C23 | C24 | C25 | 59.9° | 60.0° |
| C24 | C23 | C25 | 59.5° | 60.0° |
| C24 | C23 | N22 | 113.4° | 117.5° |
| C23 | C24 | H4 | 120.0° | 117.5° |
| C23 | C24 | H5 | 120.0° | 117.5° |
| C24 | C23 | H26 | 117.3° | 117.4° |
| C24 | C25 | C23 | 60.6° | 60.0° |
| C25 | C24 | H4 | 120.0° | 117.5° |
| C25 | C24 | H5 | 120.0° | 117.5° |
| C24 | C25 | H27 | 119.9° | 117.5° |
| C24 | C25 | H28 | 119.9° | 117.4° |
| C15 | C14 | C13 | 107.4° | 101.8° |
| C14 | C15 | H2 | 110.2° | 110.2° |
| C14 | C15 | H3 | 110.2° | 110.2° |
| C15 | C14 | H20 | 110.0° | 110.9° |
| C15 | C14 | H21 | 110.0° | 111.0° |
| O26 | C21 | N22 | 123.7° | 120.0° |
| O26 | C21 | C19 | 119.5° | 120.0° |
| C25 | C23 | N22 | 116.9° | 117.5° |
| C25 | C23 | H26 | 117.5° | 117.5° |
| C23 | C25 | H27 | 119.9° | 117.5° |
| C23 | C25 | H28 | 119.9° | 117.5° |
| C23 | N22 | C21 | 123.0° | 120.0° |
| C23 | N22 | H25 | 118.5° | 120.0° |
| N22 | C23 | H26 | 118.6° | 115.6° |
| C14 | C13 | C17 | 107.5° | 104.3° |
| C14 | C13 | C12 | 107.7° | 110.5° |
| C14 | C13 | H1 | 108.3° | 110.5° |
| C13 | C14 | H20 | 110.0° | 111.0° |
| C13 | C14 | H21 | 110.0° | 110.9° |
| O18 | C17 | C13 | 127.2° | 125.0° |
| C17 | C13 | C12 | 109.6° | 110.4° |
| C17 | C13 | H1 | 113.7° | 110.5° |
| C13 | C12 | C11 | 112.5° | 109.5° |
| C12 | C13 | H1 | 109.7° | 110.4° |
| C13 | C12 | H18 | 108.7° | 109.4° |
| C13 | C12 | H19 | 108.7° | 109.4° |
| N22 | C21 | C19 | 116.7° | 120.0° |
| C21 | N22 | H25 | 118.5° | 120.0° |
| C21 | C19 | C11 | 110.1° | 109.5° |
| C21 | C19 | O20 | 109.5° | 109.5° |
| C21 | C19 | H23 | 108.4° | 109.5° |
| C12 | C11 | C19 | 116.5° | 109.5° |
| C12 | C11 | N10 | 105.9° | 109.5° |
| C12 | C11 | H17 | 108.9° | 109.4° |
| C11 | C12 | H18 | 108.7° | 109.5° |
| C11 | C12 | H19 | 108.7° | 109.5° |
| C19 | C11 | N10 | 106.5° | 109.5° |
| C11 | C19 | O20 | 110.3° | 109.4° |
| C19 | C11 | H17 | 109.0° | 109.5° |
| C11 | C19 | H23 | 108.2° | 109.5° |
| C11 | N10 | C09 | 121.8° | 120.0° |
| C11 | N10 | H16 | 119.1° | 119.9° |
| N10 | C11 | H17 | 110.0° | 109.5° |
| O20 | C19 | H23 | 110.2° | 109.5° |
| C19 | O20 | H24 | 109.5° | 114.0° |
| N10 | C09 | O27 | 121.7° | 120.0° |
| N10 | C09 | C08 | 117.6° | 120.0° |
| C09 | N10 | H16 | 119.1° | 120.0° |
| O27 | C09 | C08 | 120.6° | 120.0° |
| C09 | C08 | N07 | 102.6° | 109.5° |
| C09 | C08 | C28 | 108.7° | 109.5° |
| C09 | C08 | H15 | 109.7° | 109.5° |
| C04 | C03 | C02 | 113.7° | 109.9° |
| C03 | C04 | C05 | 113.8° | 108.4° |
| C04 | C03 | H8 | 108.4° | 109.4° |
| C04 | C03 | H9 | 108.4° | 109.5° |
| C03 | C04 | H10 | 108.4° | 109.7° |
| C03 | C04 | H11 | 108.4° | 109.6° |
| C03 | C02 | O01 | 121.8° | 118.2° |
| C03 | C02 | N07 | 117.4° | 123.5° |
| C02 | C03 | H8 | 108.4° | 109.4° |
| C02 | C03 | H9 | 108.4° | 109.4° |
| F42 | C41 | C40 | 122.3° | 120.0° |
| F42 | C41 | C43 | 118.6° | 120.0° |
| C04 | C05 | C06 | 112.0° | 108.7° |
| C04 | C05 | N32 | 110.0° | 109.6° |
| C05 | C04 | H10 | 108.4° | 109.7° |
| C05 | C04 | H11 | 108.4° | 109.7° |
| C04 | C05 | H12 | 108.5° | 109.6° |
| O01 | C02 | N07 | 120.8° | 118.2° |
| C02 | N07 | C08 | 117.3° | 118.0° |
| C02 | N07 | C06 | 118.0° | 124.1° |
| C41 | C40 | C38 | 120.9° | 119.9° |
| C40 | C41 | C43 | 119.0° | 120.0° |
| C41 | C40 | H40 | 119.6° | 120.0° |
| C40 | C38 | F39 | 119.8° | 120.0° |
| C40 | C38 | C37 | 119.0° | 120.0° |
| C38 | C40 | H40 | 119.6° | 120.0° |
| C41 | C43 | C36 | 120.4° | 120.0° |
| C41 | C43 | H41 | 119.8° | 120.0° |
| C08 | N07 | C06 | 124.5° | 118.0° |
| N07 | C08 | C28 | 114.8° | 109.4° |
| N07 | C08 | H15 | 111.0° | 109.4° |
| N07 | C06 | C05 | 115.2° | 110.5° |
| N07 | C06 | H13 | 108.0° | 109.5° |
| N07 | C06 | H14 | 108.0° | 109.0° |
| F39 | C38 | C37 | 121.2° | 120.0° |
| C06 | C05 | N32 | 109.9° | 109.6° |
| C06 | C05 | H12 | 108.3° | 109.6° |
| C05 | C06 | H13 | 108.0° | 109.3° |
| C05 | C06 | H14 | 108.0° | 109.3° |
| C05 | N32 | C33 | 122.1° | 120.1° |
| N32 | C05 | H12 | 108.1° | 109.7° |
| C05 | N32 | H36 | 119.0° | 119.9° |
| C08 | C28 | C29 | 112.3° | 109.5° |
| C08 | C28 | H6 | 108.8° | 109.5° |
| C08 | C28 | H7 | 108.8° | 109.4° |
| C28 | C08 | H15 | 109.7° | 109.5° |
| C38 | C37 | C36 | 120.4° | 120.0° |
| C38 | C37 | H39 | 119.8° | 120.0° |
| C43 | C36 | C37 | 120.2° | 120.0° |
| C43 | C36 | C35 | 119.9° | 120.0° |
| C36 | C43 | H41 | 119.8° | 120.0° |
| O44 | C33 | N32 | 120.3° | 120.0° |
| O44 | C33 | O34 | 120.1° | 120.0° |
| C28 | C29 | C30 | 109.2° | 109.5° |
| C28 | C29 | C31 | 110.2° | 109.5° |
| C29 | C28 | H6 | 108.8° | 109.5° |
| C29 | C28 | H7 | 108.7° | 109.5° |
| C28 | C29 | H29 | 108.4° | 109.4° |
| N32 | C33 | O34 | 119.6° | 120.0° |
| C33 | N32 | H36 | 118.9° | 120.0° |
| C37 | C36 | C35 | 119.9° | 120.0° |
| C36 | C37 | H39 | 119.8° | 120.0° |
| C36 | C35 | O34 | 112.3° | 109.4° |
| C36 | C35 | H37 | 108.7° | 109.5° |
| C36 | C35 | H38 | 108.8° | 109.4° |
| C33 | O34 | C35 | 117.6° | 117.0° |
| O34 | C35 | H37 | 108.8° | 109.5° |
| O34 | C35 | H38 | 108.7° | 109.5° |
| C30 | C29 | C31 | 111.9° | 109.5° |
| C30 | C29 | H29 | 108.7° | 109.4° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| C29 | C30 | H32 | 109.4° | 109.5° |
| C31 | C29 | H29 | 108.3° | 109.5° |
| C29 | C31 | H33 | 109.5° | 109.5° |
| C29 | C31 | H34 | 109.5° | 109.5° |
| C29 | C31 | H35 | 109.5° | 109.4° |
| H2 | C15 | H3 | 109.5° | 110.2° |
| H4 | C24 | H5 | 109.5° | 115.6° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.3° |
| H10 | C04 | H11 | 109.4° | 109.7° |
| H13 | C06 | H14 | 109.5° | 109.3° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 110.9° |
| H27 | C25 | H28 | 109.5° | 115.6° |
| H30 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H32 | 109.5° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H35 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.4° |
| H37 | C35 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N16 | C17 | H22 | 180.0° | 180.0° |
| N16 | C15 | C14 | H2 | 119.5° | 119.1° |
| N16 | C15 | C14 | H3 | 119.5° | 119.1° |
| N16 | C15 | C14 | C13 | 22.5° | 25.4° |
| C15 | N16 | C17 | O18 | 178.6° | 179.7° |
| C15 | N16 | C17 | C13 | 2.5° | 0.4° |
| N16 | C15 | H2 | H3 | 121.3° | 122.1° |
| N16 | C15 | C14 | H20 | 142.2° | 143.6° |
| N16 | C15 | C14 | H21 | 97.1° | 92.7° |
| C17 | N16 | C15 | C14 | 17.3° | 17.0° |
| N16 | C17 | C13 | C14 | 10.0° | 16.3° |
| N16 | C17 | O18 | C13 | 178.7° | 179.9° |
| N16 | C17 | C13 | C12 | 126.7° | 102.5° |
| N16 | C17 | C13 | H1 | 110.0° | 135.0° |
| C17 | N16 | C15 | H2 | 102.3° | 102.0° |
| C17 | N16 | C15 | H3 | 136.8° | 136.0° |
| C23 | C24 | C25 | H4 | 109.5° | 107.5° |
| C23 | C24 | C25 | H5 | 109.4° | 107.5° |
| C24 | C23 | C25 | N22 | 102.6° | 107.5° |
| C24 | C23 | C25 | H26 | 107.1° | 107.4° |
| C24 | C23 | N22 | H26 | 143.6° | 145.7° |
| C24 | C23 | N22 | C21 | 85.3° | 155.0° |
| C23 | C24 | H4 | H5 | 144.8° | 145.7° |
| C24 | C23 | N22 | H25 | 94.7° | 24.9° |
| C23 | C24 | C25 | H27 | 109.6° | 107.5° |
| C23 | C24 | C25 | H28 | 109.7° | 107.5° |
| C25 | C24 | H4 | H5 | 144.8° | 145.7° |
| C24 | C25 | H27 | H28 | 144.4° | 145.7° |
| C15 | C14 | C13 | H20 | 119.7° | 118.1° |
| C15 | C14 | C13 | H21 | 119.6° | 118.1° |
| C15 | C14 | C13 | C17 | 22.3° | 24.8° |
| C15 | C14 | C13 | C12 | 140.3° | 93.9° |
| C15 | C14 | C13 | H1 | 101.0° | 143.6° |
| C14 | C15 | H2 | H3 | 121.4° | 121.8° |
| C15 | C14 | H20 | H21 | 121.0° | 123.8° |
| C14 | C15 | N16 | H22 | 162.7° | 163.0° |
| O26 | C21 | N22 | C23 | 0.2° | 0.0° |
| O26 | C21 | N22 | C19 | 176.9° | 180.0° |
| O26 | C21 | C19 | C11 | 69.4° | 115.0° |
| O26 | C21 | C19 | O20 | 169.1° | 5.0° |
| O26 | C21 | C19 | H23 | 48.8° | 125.0° |
| O26 | C21 | N22 | H25 | 179.8° | 180.0° |
| C25 | C23 | N22 | H26 | 149.9° | 145.7° |
| C25 | C23 | N22 | C21 | 151.7° | 136.4° |
| C25 | C23 | N22 | H25 | 28.3° | 43.7° |
| C23 | C25 | H27 | H28 | 144.4° | 145.7° |
| C23 | N22 | C21 | H25 | 180.0° | 179.9° |
| C23 | N22 | C21 | C19 | 176.8° | 180.0° |
| N22 | C23 | C24 | H4 | 1.0° | 0.0° |
| N22 | C23 | C24 | H5 | 142.1° | 145.0° |
| N22 | C23 | C25 | H27 | 7.0° | 0.0° |
| N22 | C23 | C25 | H28 | 147.7° | 145.1° |
| C14 | C13 | C17 | O18 | 168.9° | 163.6° |
| C14 | C13 | C17 | C12 | 116.8° | 118.7° |
| C14 | C13 | C17 | H1 | 120.0° | 118.8° |
| C14 | C13 | C12 | H1 | 117.7° | 122.6° |
| C14 | C13 | C12 | C11 | 62.9° | 179.4° |
| C13 | C14 | C15 | H2 | 97.0° | 93.6° |
| C13 | C14 | C15 | H3 | 142.1° | 144.5° |
| C14 | C13 | C12 | H18 | 57.6° | 59.5° |
| C14 | C13 | C12 | H19 | 176.7° | 60.5° |
| C13 | C14 | H20 | H21 | 121.0° | 123.8° |
| O18 | C17 | C13 | C12 | 52.2° | 77.6° |
| O18 | C17 | C13 | H1 | 71.1° | 44.8° |
| O18 | C17 | N16 | H22 | 1.4° | 0.2° |
| C17 | C13 | C12 | H1 | 125.6° | 122.5° |
| C17 | C13 | C12 | C11 | 179.6° | 65.7° |
| C17 | C13 | C12 | H18 | 59.1° | 174.4° |
| C17 | C13 | C12 | H19 | 60.0° | 54.4° |
| C17 | C13 | C14 | H20 | 142.0° | 142.9° |
| C17 | C13 | C14 | H21 | 97.3° | 93.3° |
| C13 | C17 | N16 | H22 | 177.6° | 179.6° |
| C13 | C12 | C11 | H18 | 120.4° | 119.9° |
| C13 | C12 | C11 | H19 | 120.5° | 120.0° |
| C13 | C12 | C11 | C19 | 179.9° | 63.4° |
| C13 | C12 | C11 | N10 | 61.8° | 176.6° |
| C13 | C12 | C11 | H17 | 56.4° | 56.6° |
| C13 | C12 | H18 | H19 | 118.7° | 120.0° |
| C12 | C13 | C14 | H20 | 100.0° | 24.3° |
| C12 | C13 | C14 | H21 | 20.7° | 148.0° |
| N22 | C21 | C19 | C11 | 107.7° | 65.0° |
| N22 | C21 | C19 | O20 | 13.8° | 175.0° |
| N22 | C21 | C19 | H23 | 134.1° | 55.0° |
| C21 | N22 | C23 | H26 | 58.4° | 9.3° |
| C21 | C19 | C11 | C12 | 81.3° | 180.0° |
| C21 | C19 | C11 | O20 | 121.0° | 120.0° |
| C21 | C19 | C11 | H23 | 118.4° | 120.0° |
| C21 | C19 | C11 | N10 | 160.8° | 60.0° |
| C21 | C19 | O20 | H23 | 119.2° | 120.0° |
| C21 | C19 | C11 | H17 | 42.3° | 60.0° |
| C21 | C19 | O20 | H24 | 180.0° | 60.0° |
| C19 | C21 | N22 | H25 | 3.2° | 0.0° |
| C12 | C11 | C19 | N10 | 117.9° | 120.0° |
| C12 | C11 | C19 | H17 | 123.6° | 120.0° |
| C12 | C11 | N10 | H17 | 117.5° | 120.0° |
| C12 | C11 | C19 | O20 | 157.7° | 60.0° |
| C12 | C11 | N10 | C09 | 138.2° | 88.7° |
| C11 | C12 | C13 | H1 | 54.9° | 56.8° |
| C12 | C11 | N10 | H16 | 41.8° | 91.4° |
| C11 | C12 | H18 | H19 | 118.6° | 120.1° |
| C12 | C11 | C19 | H23 | 37.1° | 60.0° |
| C19 | C11 | N10 | H17 | 117.9° | 120.0° |
| C11 | C19 | O20 | H23 | 119.4° | 120.0° |
| C19 | C11 | N10 | C09 | 97.2° | 151.3° |
| C19 | C11 | N10 | H16 | 82.8° | 28.7° |
| C19 | C11 | C12 | H18 | 59.6° | 56.6° |
| C19 | C11 | C12 | H19 | 59.5° | 176.6° |
| C11 | C19 | O20 | H24 | 58.6° | 60.0° |
| N10 | C11 | C19 | O20 | 39.8° | 60.0° |
| C11 | N10 | C09 | H16 | 180.0° | 180.0° |
| C11 | N10 | C09 | O27 | 0.5° | 4.9° |
| C11 | N10 | C09 | C08 | 179.3° | 175.0° |
| N10 | C11 | C12 | H18 | 177.8° | 63.5° |
| N10 | C11 | C12 | H19 | 58.7° | 56.6° |
| N10 | C11 | C19 | H23 | 80.8° | 180.0° |
| O20 | C19 | C11 | H17 | 78.7° | 180.0° |
| N10 | C09 | O27 | C08 | 179.7° | 179.9° |
| N10 | C09 | C08 | N07 | 114.2° | 180.0° |
| N10 | C09 | C08 | C28 | 123.8° | 60.1° |
| N10 | C09 | C08 | H15 | 3.8° | 60.0° |
| C09 | N10 | C11 | H17 | 20.7° | 31.3° |
| O27 | C09 | C08 | N07 | 65.5° | 0.0° |
| O27 | C09 | C08 | C28 | 56.5° | 120.0° |
| O27 | C09 | C08 | H15 | 176.4° | 120.0° |
| O27 | C09 | N10 | H16 | 179.6° | 175.0° |
| C09 | C08 | N07 | C02 | 79.3° | 62.0° |
| C09 | C08 | N07 | C28 | 117.7° | 120.0° |
| C09 | C08 | N07 | H15 | 117.1° | 120.0° |
| C09 | C08 | N07 | C06 | 95.6° | 117.7° |
| C09 | C08 | C28 | H15 | 119.9° | 120.1° |
| C09 | C08 | C28 | C29 | 176.7° | 176.8° |
| C09 | C08 | C28 | H6 | 62.8° | 63.1° |
| C09 | C08 | C28 | H7 | 56.3° | 56.8° |
| C08 | C09 | N10 | H16 | 0.7° | 5.1° |
| C04 | C03 | C02 | H8 | 120.6° | 120.2° |
| C04 | C03 | C02 | H9 | 120.6° | 120.2° |
| C03 | C04 | C05 | H10 | 120.7° | 119.8° |
| C03 | C04 | C05 | H11 | 120.7° | 119.7° |
| C04 | C03 | C02 | O01 | 161.4° | 162.5° |
| C04 | C03 | C02 | N07 | 19.7° | 17.8° |
| C03 | C04 | C05 | C06 | 65.1° | 67.5° |
| C03 | C04 | C05 | N32 | 57.3° | 172.7° |
| C04 | C03 | H8 | H9 | 118.0° | 119.9° |
| C03 | C04 | H10 | H11 | 118.0° | 120.5° |
| C03 | C04 | C05 | H12 | 175.4° | 52.2° |
| C02 | C03 | C04 | C05 | 50.8° | 48.9° |
| C03 | C02 | O01 | N07 | 178.8° | 179.7° |
| C03 | C02 | N07 | C08 | 178.0° | 177.5° |
| C03 | C02 | N07 | C06 | 2.8° | 2.7° |
| C02 | C03 | H8 | H9 | 118.1° | 119.7° |
| C02 | C03 | C04 | H10 | 171.5° | 70.9° |
| C02 | C03 | C04 | H11 | 69.8° | 168.6° |
| F42 | C41 | C40 | C43 | 179.1° | 179.7° |
| F42 | C41 | C40 | C38 | 179.9° | 180.0° |
| F42 | C41 | C43 | C36 | 179.2° | 179.8° |
| F42 | C41 | C40 | H40 | 0.1° | 0.3° |
| F42 | C41 | C43 | H41 | 0.8° | 0.2° |
| C04 | C05 | C06 | N07 | 45.0° | 50.9° |
| C04 | C05 | C06 | N32 | 122.5° | 119.8° |
| C04 | C05 | C06 | H12 | 119.6° | 119.7° |
| C04 | C05 | N32 | H12 | 118.4° | 120.4° |
| C04 | C05 | N32 | C33 | 68.7° | 85.0° |
| C05 | C04 | C03 | H8 | 171.5° | 169.1° |
| C05 | C04 | C03 | H9 | 69.8° | 71.2° |
| C05 | C04 | H10 | H11 | 118.0° | 120.5° |
| C04 | C05 | C06 | H13 | 75.8° | 69.6° |
| C04 | C05 | C06 | H14 | 165.8° | 170.8° |
| C04 | C05 | N32 | H36 | 111.3° | 95.0° |
| O01 | C02 | N07 | C08 | 3.1° | 2.2° |
| O01 | C02 | N07 | C06 | 178.4° | 177.6° |
| O01 | C02 | C03 | H8 | 40.8° | 42.3° |
| O01 | C02 | C03 | H9 | 78.0° | 77.4° |
| C02 | N07 | C08 | C06 | 174.9° | 179.8° |
| C02 | N07 | C06 | C05 | 15.5° | 19.5° |
| C02 | N07 | C08 | C28 | 163.0° | 58.0° |
| N07 | C02 | C03 | H8 | 140.3° | 138.0° |
| N07 | C02 | C03 | H9 | 100.9° | 102.3° |
| C02 | N07 | C06 | H13 | 105.3° | 100.9° |
| C02 | N07 | C06 | H14 | 136.3° | 139.6° |
| C02 | N07 | C08 | H15 | 37.8° | 177.9° |
| C41 | C40 | C38 | H40 | 180.0° | 179.7° |
| C41 | C40 | C38 | F39 | 178.9° | 180.0° |
| C41 | C40 | C38 | C37 | 0.8° | 0.0° |
| C40 | C41 | C43 | C36 | 0.0° | 0.5° |
| C40 | C41 | C43 | H41 | 179.9° | 180.0° |
| C38 | C40 | C41 | C43 | 0.8° | 0.3° |
| C40 | C38 | F39 | C37 | 179.7° | 180.0° |
| C40 | C38 | C37 | C36 | 0.0° | 0.1° |
| C40 | C38 | C37 | H39 | 180.0° | 180.0° |
| C41 | C43 | C36 | H41 | 180.0° | 179.5° |
| C41 | C43 | C36 | C37 | 0.7° | 0.5° |
| C41 | C43 | C36 | C35 | 179.4° | 179.8° |
| C43 | C41 | C40 | H40 | 179.2° | 180.0° |
| C08 | N07 | C06 | C05 | 169.7° | 160.8° |
| N07 | C08 | C28 | H15 | 125.8° | 119.9° |
| N07 | C08 | C28 | C29 | 69.0° | 63.2° |
| N07 | C08 | C28 | H6 | 51.4° | 56.8° |
| N07 | C08 | C28 | H7 | 170.6° | 176.8° |
| C08 | N07 | C06 | H13 | 69.5° | 78.9° |
| C08 | N07 | C06 | H14 | 48.8° | 40.6° |
| N07 | C06 | C05 | H13 | 120.8° | 120.5° |
| N07 | C06 | C05 | H14 | 120.8° | 119.9° |
| N07 | C06 | C05 | N32 | 77.5° | 170.7° |
| C06 | N07 | C08 | C28 | 22.2° | 122.3° |
| N07 | C06 | C05 | H12 | 164.6° | 68.8° |
| N07 | C06 | H13 | H14 | 117.4° | 119.3° |
| C06 | N07 | C08 | H15 | 147.3° | 2.3° |
| F39 | C38 | C37 | C36 | 179.6° | 180.0° |
| F39 | C38 | C37 | H39 | 0.4° | 0.0° |
| F39 | C38 | C40 | H40 | 1.1° | 0.3° |
| C06 | C05 | N32 | H12 | 118.0° | 120.4° |
| C06 | C05 | N32 | C33 | 167.7° | 155.8° |
| C06 | C05 | C04 | H10 | 174.2° | 52.2° |
| C06 | C05 | C04 | H11 | 55.5° | 172.8° |
| C05 | C06 | H13 | H14 | 117.4° | 119.6° |
| C06 | C05 | N32 | H36 | 12.3° | 24.2° |
| C05 | N32 | C33 | O44 | 16.7° | 0.0° |
| C05 | N32 | C33 | H36 | 180.0° | 180.0° |
| C05 | N32 | C33 | O34 | 163.1° | 180.0° |
| N32 | C05 | C04 | H10 | 63.4° | 67.6° |
| N32 | C05 | C04 | H11 | 177.9° | 53.0° |
| N32 | C05 | C06 | H13 | 161.7° | 50.2° |
| N32 | C05 | C06 | H14 | 43.3° | 69.4° |
| C08 | C28 | C29 | H6 | 120.4° | 120.0° |
| C08 | C28 | C29 | H7 | 120.4° | 119.9° |
| C08 | C28 | C29 | C30 | 53.7° | 173.6° |
| C08 | C28 | C29 | C31 | 177.1° | 66.3° |
| C08 | C28 | H6 | H7 | 118.7° | 119.9° |
| C08 | C28 | C29 | H29 | 64.5° | 53.7° |
| C38 | C37 | C36 | C43 | 0.7° | 0.2° |
| C38 | C37 | C36 | H39 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 179.4° | 179.9° |
| C37 | C38 | C40 | H40 | 179.2° | 179.7° |
| C43 | C36 | C37 | C35 | 179.8° | 179.7° |
| C43 | C36 | C35 | O34 | 20.4° | 90.3° |
| C43 | C36 | C35 | H37 | 100.0° | 149.7° |
| C43 | C36 | C35 | H38 | 140.8° | 29.7° |
| C43 | C36 | C37 | H39 | 179.3° | 179.8° |
| O44 | C33 | N32 | O34 | 179.8° | 180.0° |
| O44 | C33 | O34 | C35 | 4.8° | 0.0° |
| O44 | C33 | N32 | H36 | 163.3° | 180.0° |
| C28 | C29 | C30 | C31 | 122.3° | 120.1° |
| C28 | C29 | C30 | H29 | 118.0° | 119.9° |
| C28 | C29 | C31 | H29 | 118.4° | 120.0° |
| C29 | C28 | H6 | H7 | 118.7° | 120.0° |
| C29 | C28 | C08 | H15 | 56.8° | 56.7° |
| C28 | C29 | C30 | H30 | 180.0° | 175.0° |
| C28 | C29 | C30 | H31 | 60.0° | 55.1° |
| C28 | C29 | C30 | H32 | 60.0° | 65.0° |
| C28 | C29 | C31 | H33 | 180.0° | 59.9° |
| C28 | C29 | C31 | H34 | 60.0° | 180.0° |
| C28 | C29 | C31 | H35 | 60.0° | 60.0° |
| N32 | C33 | O34 | C35 | 175.0° | 180.0° |
| C33 | N32 | C05 | H12 | 49.7° | 35.4° |
| C37 | C36 | C35 | O34 | 159.7° | 90.0° |
| C37 | C36 | C35 | H37 | 79.8° | 30.0° |
| C37 | C36 | C35 | H38 | 39.3° | 150.1° |
| C37 | C36 | C43 | H41 | 179.3° | 180.0° |
| C36 | C35 | O34 | C33 | 75.8° | 180.0° |
| C36 | C35 | O34 | H37 | 120.4° | 120.0° |
| C36 | C35 | O34 | H38 | 120.4° | 119.9° |
| C36 | C35 | H37 | H38 | 118.7° | 120.0° |
| C35 | C36 | C37 | H39 | 0.6° | 0.0° |
| C35 | C36 | C43 | H41 | 0.5° | 0.3° |
| O34 | C33 | N32 | H36 | 17.0° | 0.0° |
| C33 | O34 | C35 | H37 | 163.8° | 60.0° |
| C33 | O34 | C35 | H38 | 44.6° | 60.1° |
| O34 | C35 | H37 | H38 | 118.7° | 120.0° |
| C30 | C29 | C31 | H29 | 119.8° | 120.0° |
| C30 | C29 | C28 | H6 | 174.2° | 53.6° |
| C30 | C29 | C28 | H7 | 66.7° | 66.4° |
| C29 | C30 | H30 | H31 | 120.0° | 120.0° |
| C29 | C30 | H30 | H32 | 120.0° | 120.0° |
| C29 | C30 | H31 | H32 | 120.0° | 120.0° |
| C30 | C29 | C31 | H33 | 58.2° | 180.0° |
| C30 | C29 | C31 | H34 | 178.2° | 59.9° |
| C30 | C29 | C31 | H35 | 61.8° | 60.0° |
| C31 | C29 | C28 | H6 | 62.5° | 173.7° |
| C31 | C29 | C28 | H7 | 56.6° | 53.6° |
| C31 | C29 | C30 | H30 | 57.6° | 64.9° |
| C31 | C29 | C30 | H31 | 62.3° | 175.1° |
| C31 | C29 | C30 | H32 | 177.7° | 55.1° |
| C29 | C31 | H33 | H34 | 120.0° | 120.1° |
| C29 | C31 | H33 | H35 | 120.0° | 120.0° |
| C29 | C31 | H34 | H35 | 120.0° | 120.0° |
| H1 | C13 | C12 | H18 | 175.3° | 63.1° |
| H1 | C13 | C12 | H19 | 65.6° | 176.9° |
| H1 | C13 | C14 | H20 | 18.7° | 98.3° |
| H1 | C13 | C14 | H21 | 139.3° | 25.5° |
| H2 | C15 | C14 | H20 | 22.6° | 24.5° |
| H2 | C15 | C14 | H21 | 143.3° | 148.3° |
| H2 | C15 | N16 | H22 | 77.7° | 78.0° |
| H3 | C15 | C14 | H20 | 98.3° | 97.3° |
| H3 | C15 | C14 | H21 | 22.4° | 26.4° |
| H3 | C15 | N16 | H22 | 43.2° | 44.0° |
| H4 | C24 | C23 | H26 | 143.2° | 145.1° |
| H4 | C24 | C25 | H27 | 0.2° | 0.0° |
| H4 | C24 | C25 | H28 | 140.9° | 145.1° |
| H5 | C24 | C23 | H26 | 2.0° | 0.0° |
| H5 | C24 | C25 | H27 | 140.9° | 145.0° |
| H5 | C24 | C25 | H28 | 0.2° | 0.0° |
| H6 | C28 | C08 | H15 | 177.3° | 176.8° |
| H6 | C28 | C29 | H29 | 55.9° | 66.3° |
| H7 | C28 | C08 | H15 | 63.6° | 63.3° |
| H7 | C28 | C29 | H29 | 175.0° | 173.6° |
| H8 | C03 | C04 | H10 | 67.9° | 49.3° |
| H8 | C03 | C04 | H11 | 50.8° | 71.2° |
| H9 | C03 | C04 | H10 | 50.9° | 169.0° |
| H9 | C03 | C04 | H11 | 169.5° | 48.5° |
| H10 | C04 | C05 | H12 | 54.7° | 172.0° |
| H11 | C04 | C05 | H12 | 64.0° | 67.5° |
| H12 | C05 | C06 | H13 | 43.8° | 170.7° |
| H12 | C05 | C06 | H14 | 74.6° | 51.1° |
| H12 | C05 | N32 | H36 | 130.3° | 144.6° |
| H16 | N10 | C11 | H17 | 159.3° | 148.7° |
| H17 | C11 | C12 | H18 | 64.0° | 176.6° |
| H17 | C11 | C12 | H19 | 176.9° | 63.4° |
| H17 | C11 | C19 | H23 | 160.6° | 60.0° |
| H23 | C19 | O20 | H24 | 60.8° | 180.0° |
| H25 | N22 | C23 | H26 | 121.7° | 170.6° |
| H26 | C23 | C25 | H27 | 143.3° | 145.0° |
| H26 | C23 | C25 | H28 | 2.5° | 0.0° |
| H29 | C29 | C30 | H30 | 62.0° | 55.1° |
| H29 | C29 | C30 | H31 | 178.0° | 64.9° |
| H29 | C29 | C30 | H32 | 58.1° | 175.1° |
| H29 | C29 | C31 | H33 | 61.6° | 60.0° |
| H29 | C29 | C31 | H34 | 58.4° | 60.0° |
| H29 | C29 | C31 | H35 | 178.4° | 180.0° |
| H30 | C30 | H31 | H32 | 120.0° | 119.9° |
| H33 | C31 | H34 | H35 | 120.0° | 120.0° |
