VAT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | N11 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | N11 | sing | 1.48Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.51Å | |
| C17 | C16 | sing | 1.55Å | 1.56Å | |
| C17 | C18 | sing | 1.55Å | 1.51Å | |
| C20 | C06 | doub | 1.40Å | 1.45Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C22 | C02 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.59Å | |
| C24 | N26 | sing | 1.47Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | C25 | sing | 1.53Å | 1.59Å | |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| C03 | N04 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.48Å | 1.62Å | |
| C05 | N04 | sing | 1.35Å | 1.41Å | |
| C05 | O21 | doub | 1.22Å | 1.24Å | |
| C06 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.44Å | Aromatic |
| C09 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | N11 | sing | 1.48Å | 1.54Å | |
| C14 | C18 | sing | 1.53Å | 1.53Å | |
| C25 | N26 | sing | 1.47Å | 1.52Å | |
| C27 | C40 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | N26 | sing | 1.39Å | 1.57Å | |
| C27 | N28 | sing | 1.33Å | 1.39Å | Aromatic |
| C29 | N28 | doub | 1.32Å | 1.36Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.39Å | Aromatic |
| C31 | C40 | sing | 1.39Å | 1.49Å | Aromatic |
| C31 | N30 | doub | 1.33Å | 1.41Å | Aromatic |
| C31 | N32 | sing | 1.39Å | 1.50Å | |
| C33 | N32 | sing | 1.47Å | 1.53Å | |
| C34 | C35 | doub | 1.38Å | 1.45Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.45Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.44Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.44Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.45Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.45Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.70Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| N04 | H38 | sing | 0.97Å | 1.00Å | |
| N32 | H40 | sing | 0.97Å | 1.00Å | |
| O01 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | N11 | 106.5° | 109.5° |
| C10 | C09 | C08 | 117.0° | 119.9° |
| C10 | C09 | C19 | 121.9° | 119.8° |
| C09 | C10 | H1 | 110.2° | 109.5° |
| C09 | C10 | H2 | 110.2° | 109.5° |
| C10 | N11 | C13 | 110.5° | 111.0° |
| C10 | N11 | C12 | 108.2° | 111.0° |
| N11 | C10 | H1 | 110.2° | 109.5° |
| N11 | C10 | H2 | 110.2° | 109.4° |
| C14 | C13 | N11 | 86.3° | 85.9° |
| C13 | C14 | C15 | 114.8° | 115.5° |
| C13 | C14 | C12 | 88.4° | 87.2° |
| C13 | C14 | C18 | 112.0° | 115.3° |
| C14 | C13 | H3 | 114.9° | 113.8° |
| C14 | C13 | H4 | 114.9° | 113.8° |
| C13 | N11 | C12 | 87.2° | 90.9° |
| N11 | C13 | H3 | 114.9° | 113.8° |
| N11 | C13 | H4 | 114.9° | 113.8° |
| C14 | C15 | C16 | 102.0° | 106.2° |
| C15 | C14 | C12 | 109.6° | 115.5° |
| C15 | C14 | C18 | 113.5° | 107.5° |
| C14 | C15 | H5 | 111.3° | 110.1° |
| C14 | C15 | H6 | 111.3° | 110.1° |
| C15 | C16 | C17 | 107.8° | 104.3° |
| C16 | C15 | H5 | 111.3° | 110.1° |
| C16 | C15 | H6 | 111.3° | 110.1° |
| C15 | C16 | H20 | 109.9° | 110.5° |
| C15 | C16 | H21 | 109.9° | 110.5° |
| C16 | C17 | C18 | 107.3° | 102.9° |
| C16 | C17 | H7 | 110.0° | 110.8° |
| C16 | C17 | H8 | 110.0° | 110.7° |
| C17 | C16 | H20 | 109.9° | 110.5° |
| C17 | C16 | H21 | 109.9° | 110.5° |
| C17 | C18 | C14 | 100.9° | 104.0° |
| C18 | C17 | H7 | 110.0° | 110.7° |
| C18 | C17 | H8 | 110.0° | 110.7° |
| C17 | C18 | H22 | 111.6° | 110.5° |
| C17 | C18 | H23 | 111.6° | 110.6° |
| C06 | C20 | C19 | 120.5° | 119.9° |
| C20 | C06 | C05 | 121.6° | 120.1° |
| C20 | C06 | C07 | 120.9° | 119.7° |
| C06 | C20 | H9 | 119.8° | 120.1° |
| C20 | C19 | C09 | 117.5° | 120.1° |
| C19 | C20 | H9 | 119.7° | 120.0° |
| C20 | C19 | H24 | 121.3° | 120.0° |
| C02 | C22 | C23 | 111.6° | 109.1° |
| C22 | C02 | C03 | 107.8° | 109.5° |
| C22 | C02 | C25 | 107.5° | 109.3° |
| C22 | C02 | O01 | 109.6° | 109.5° |
| C02 | C22 | H10 | 108.9° | 109.5° |
| C02 | C22 | H11 | 108.9° | 109.5° |
| C22 | C23 | C24 | 114.4° | 109.3° |
| C23 | C22 | H10 | 109.0° | 109.5° |
| C23 | C22 | H11 | 109.0° | 109.5° |
| C22 | C23 | H25 | 108.2° | 109.5° |
| C22 | C23 | H26 | 108.3° | 109.5° |
| C23 | C24 | N26 | 113.4° | 109.5° |
| C23 | C24 | H12 | 108.5° | 109.4° |
| C23 | C24 | H13 | 108.5° | 109.4° |
| C24 | C23 | H25 | 108.2° | 109.5° |
| C24 | C23 | H26 | 108.2° | 109.5° |
| C24 | N26 | C25 | 109.5° | 111.2° |
| C24 | N26 | C27 | 124.7° | 111.0° |
| N26 | C24 | H12 | 108.5° | 109.5° |
| N26 | C24 | H13 | 108.5° | 109.4° |
| C03 | C02 | C25 | 111.2° | 109.5° |
| C03 | C02 | O01 | 106.0° | 109.5° |
| C02 | C03 | N04 | 110.1° | 109.5° |
| C02 | C03 | H14 | 109.3° | 109.5° |
| C02 | C03 | H15 | 109.3° | 109.5° |
| C25 | C02 | O01 | 114.6° | 109.6° |
| C02 | C25 | N26 | 115.1° | 109.6° |
| C02 | C25 | H27 | 108.0° | 109.4° |
| C02 | C25 | H28 | 108.0° | 109.5° |
| C02 | O01 | H41 | 109.5° | 114.0° |
| C03 | N04 | C05 | 123.4° | 120.1° |
| N04 | C03 | H14 | 109.3° | 109.4° |
| N04 | C03 | H15 | 109.3° | 109.4° |
| C03 | N04 | H38 | 118.3° | 119.9° |
| C06 | C05 | N04 | 121.0° | 120.0° |
| C06 | C05 | O21 | 120.6° | 120.0° |
| C05 | C06 | C07 | 117.5° | 120.2° |
| N04 | C05 | O21 | 118.4° | 119.9° |
| C05 | N04 | H38 | 118.3° | 120.0° |
| C06 | C07 | C08 | 119.1° | 119.9° |
| C06 | C07 | H16 | 120.5° | 120.1° |
| C07 | C08 | C09 | 120.9° | 120.2° |
| C08 | C07 | H16 | 120.5° | 120.1° |
| C07 | C08 | H17 | 119.5° | 119.9° |
| C08 | C09 | C19 | 121.1° | 120.3° |
| C09 | C08 | H17 | 119.5° | 119.9° |
| C09 | C19 | H24 | 121.3° | 119.9° |
| C14 | C12 | N11 | 86.0° | 85.9° |
| C12 | C14 | C18 | 116.0° | 115.3° |
| C14 | C12 | H18 | 115.0° | 113.9° |
| C14 | C12 | H19 | 115.0° | 113.8° |
| N11 | C12 | H18 | 115.0° | 113.8° |
| N11 | C12 | H19 | 115.0° | 113.8° |
| C14 | C18 | H22 | 111.5° | 110.5° |
| C14 | C18 | H23 | 111.6° | 110.5° |
| C25 | N26 | C27 | 122.4° | 111.0° |
| N26 | C25 | H27 | 108.0° | 109.5° |
| N26 | C25 | H28 | 108.0° | 109.4° |
| C40 | C27 | N26 | 118.6° | 120.5° |
| C40 | C27 | N28 | 120.2° | 119.1° |
| C27 | C40 | C31 | 118.7° | 118.2° |
| C27 | C40 | H37 | 120.7° | 120.9° |
| N26 | C27 | N28 | 121.1° | 120.5° |
| C27 | N28 | C29 | 120.4° | 120.9° |
| N28 | C29 | N30 | 122.6° | 121.9° |
| N28 | C29 | H29 | 118.7° | 119.0° |
| C29 | N30 | C31 | 121.1° | 120.9° |
| N30 | C29 | H29 | 118.7° | 119.0° |
| C40 | C31 | N30 | 117.0° | 119.1° |
| C40 | C31 | N32 | 122.3° | 120.5° |
| C31 | C40 | H37 | 120.6° | 120.9° |
| N30 | C31 | N32 | 120.7° | 120.4° |
| C31 | N32 | C33 | 131.1° | 120.0° |
| C31 | N32 | H40 | 103.8° | 120.0° |
| N32 | C33 | C34 | 120.4° | 109.5° |
| N32 | C33 | H30 | 106.7° | 109.4° |
| N32 | C33 | H31 | 106.7° | 109.4° |
| C33 | N32 | H40 | 103.8° | 120.0° |
| C35 | C34 | C39 | 119.2° | 120.0° |
| C34 | C35 | C36 | 121.0° | 120.0° |
| C35 | C34 | C33 | 118.8° | 120.0° |
| C34 | C35 | H32 | 119.5° | 120.0° |
| C34 | C39 | C38 | 119.9° | 120.0° |
| C39 | C34 | C33 | 122.1° | 120.0° |
| C34 | C39 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C36 | C35 | H32 | 119.5° | 120.0° |
| C35 | C36 | H33 | 120.2° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H33 | 120.2° | 120.0° |
| C36 | C37 | H34 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.3° | 120.0° |
| C38 | C37 | H34 | 120.0° | 120.0° |
| C37 | C38 | H35 | 119.9° | 120.0° |
| C39 | C38 | H35 | 119.9° | 120.0° |
| C38 | C39 | H36 | 120.0° | 120.0° |
| C34 | C33 | H30 | 106.7° | 109.4° |
| C34 | C33 | H31 | 106.7° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 113.0° |
| H5 | C15 | H6 | 109.5° | 110.1° |
| H7 | C17 | H8 | 109.5° | 110.8° |
| H10 | C22 | H11 | 109.5° | 109.7° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.4° | 113.0° |
| H20 | C16 | H21 | 109.5° | 110.5° |
| H22 | C18 | H23 | 109.5° | 110.6° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | N11 | H1 | 119.5° | 120.0° |
| C09 | C10 | N11 | H2 | 119.5° | 119.9° |
| C09 | C10 | N11 | C13 | 148.2° | 170.0° |
| C10 | C09 | C19 | C20 | 177.8° | 180.0° |
| C10 | C09 | C08 | C07 | 177.4° | 180.0° |
| C10 | C09 | C08 | C19 | 178.4° | 180.0° |
| C09 | C10 | N11 | C12 | 54.2° | 90.5° |
| C09 | C10 | H1 | H2 | 121.4° | 120.0° |
| C10 | C09 | C08 | H17 | 2.6° | 0.0° |
| C10 | C09 | C19 | H24 | 2.2° | 0.0° |
| C10 | N11 | C13 | C14 | 134.0° | 137.0° |
| C10 | N11 | C13 | C12 | 108.4° | 112.9° |
| N11 | C10 | C09 | C08 | 50.2° | 90.0° |
| N11 | C10 | C09 | C19 | 128.3° | 90.0° |
| C10 | N11 | C12 | C14 | 136.5° | 137.1° |
| N11 | C10 | H1 | H2 | 121.4° | 119.9° |
| C10 | N11 | C13 | H3 | 110.1° | 108.7° |
| C10 | N11 | C13 | H4 | 18.2° | 22.7° |
| C10 | N11 | C12 | H18 | 20.7° | 22.7° |
| C10 | N11 | C12 | H19 | 107.8° | 108.7° |
| C14 | C13 | N11 | H3 | 115.8° | 114.2° |
| C14 | C13 | N11 | H4 | 115.8° | 114.3° |
| C13 | C14 | C15 | C12 | 97.6° | 99.6° |
| C13 | C14 | C15 | C18 | 130.8° | 130.2° |
| C13 | C14 | C15 | C16 | 133.0° | 130.4° |
| C13 | C14 | C18 | C17 | 151.2° | 107.2° |
| C13 | C14 | C12 | C18 | 113.9° | 116.7° |
| C14 | C13 | N11 | C12 | 25.6° | 24.1° |
| C14 | C13 | H3 | H4 | 131.0° | 131.8° |
| C13 | C14 | C15 | H5 | 108.2° | 110.4° |
| C13 | C14 | C15 | H6 | 14.2° | 11.2° |
| C13 | C14 | C12 | H18 | 89.9° | 91.0° |
| C13 | C14 | C12 | H19 | 141.6° | 137.5° |
| C13 | C14 | C18 | H22 | 90.2° | 134.1° |
| C13 | C14 | C18 | H23 | 32.6° | 11.4° |
| N11 | C13 | C14 | C15 | 137.1° | 140.3° |
| N11 | C13 | C14 | C18 | 91.4° | 93.4° |
| C13 | N11 | C10 | H1 | 28.6° | 70.0° |
| C13 | N11 | C10 | H2 | 92.3° | 50.0° |
| N11 | C13 | H3 | H4 | 131.1° | 131.9° |
| C13 | N11 | C12 | H18 | 90.0° | 90.2° |
| C13 | N11 | C12 | H19 | 141.5° | 138.3° |
| C14 | C15 | C16 | H5 | 118.8° | 119.2° |
| C14 | C15 | C16 | H6 | 118.8° | 119.2° |
| C14 | C15 | C16 | C17 | 15.5° | 23.5° |
| C15 | C14 | C18 | C17 | 19.1° | 23.1° |
| C15 | C14 | C12 | C18 | 130.3° | 126.4° |
| C15 | C14 | C12 | N11 | 141.7° | 140.2° |
| C15 | C14 | C13 | H3 | 107.1° | 105.5° |
| C15 | C14 | C13 | H4 | 21.3° | 25.9° |
| C14 | C15 | H5 | H6 | 123.5° | 121.6° |
| C15 | C14 | C12 | H18 | 25.9° | 26.0° |
| C15 | C14 | C12 | H19 | 102.5° | 105.5° |
| C14 | C15 | C16 | H20 | 135.3° | 95.2° |
| C14 | C15 | C16 | H21 | 104.2° | 142.2° |
| C15 | C14 | C18 | H22 | 137.7° | 95.6° |
| C15 | C14 | C18 | H23 | 99.5° | 141.7° |
| C15 | C16 | C17 | H20 | 119.7° | 118.7° |
| C15 | C16 | C17 | H21 | 119.7° | 118.7° |
| C15 | C16 | C17 | C18 | 28.9° | 37.5° |
| C16 | C15 | C14 | C12 | 129.4° | 130.0° |
| C16 | C15 | C14 | C18 | 2.2° | 0.2° |
| C16 | C15 | H5 | H6 | 123.5° | 121.6° |
| C15 | C16 | C17 | H7 | 90.8° | 155.8° |
| C15 | C16 | C17 | H8 | 148.5° | 80.8° |
| C15 | C16 | H20 | H21 | 120.8° | 122.6° |
| C16 | C17 | C18 | H7 | 119.7° | 118.4° |
| C16 | C17 | C18 | H8 | 119.7° | 118.3° |
| C16 | C17 | C18 | C14 | 27.9° | 37.2° |
| C17 | C16 | C15 | H5 | 103.3° | 142.7° |
| C17 | C16 | C15 | H6 | 134.3° | 95.7° |
| C16 | C17 | H7 | H8 | 121.0° | 123.3° |
| C17 | C16 | H20 | H21 | 120.8° | 122.6° |
| C16 | C17 | C18 | H22 | 146.5° | 81.4° |
| C16 | C17 | C18 | H23 | 90.7° | 155.8° |
| C17 | C18 | C14 | C12 | 109.3° | 153.4° |
| C17 | C18 | C14 | H22 | 118.6° | 118.6° |
| C17 | C18 | C14 | H23 | 118.6° | 118.6° |
| C18 | C17 | H7 | H8 | 121.0° | 123.2° |
| C18 | C17 | C16 | H20 | 148.6° | 81.2° |
| C18 | C17 | C16 | H21 | 90.9° | 156.2° |
| C17 | C18 | H22 | H23 | 124.0° | 122.8° |
| C06 | C20 | C19 | H9 | 180.0° | 179.7° |
| C20 | C06 | C05 | C07 | 178.0° | 180.0° |
| C20 | C06 | C05 | N04 | 169.2° | 180.0° |
| C20 | C06 | C05 | O21 | 11.4° | 0.0° |
| C20 | C06 | C07 | C08 | 0.8° | 0.0° |
| C06 | C20 | C19 | C09 | 0.6° | 0.0° |
| C20 | C06 | C07 | H16 | 179.2° | 180.0° |
| C06 | C20 | C19 | H24 | 179.4° | 180.0° |
| C19 | C20 | C06 | C05 | 179.2° | 180.0° |
| C19 | C20 | C06 | C07 | 1.3° | 0.0° |
| C20 | C19 | C09 | C08 | 0.5° | 0.0° |
| C20 | C19 | C09 | H24 | 180.0° | 180.0° |
| C02 | C22 | C23 | H10 | 120.3° | 119.9° |
| C02 | C22 | C23 | H11 | 120.3° | 119.9° |
| C02 | C22 | C23 | C24 | 52.4° | 57.6° |
| C22 | C02 | C03 | C25 | 117.6° | 119.8° |
| C22 | C02 | C03 | O01 | 117.3° | 120.1° |
| C22 | C02 | C25 | O01 | 122.1° | 120.0° |
| C22 | C02 | C03 | N04 | 75.2° | 55.0° |
| C22 | C02 | C25 | N26 | 59.8° | 59.2° |
| C02 | C22 | H10 | H11 | 119.0° | 120.2° |
| C22 | C02 | C03 | H14 | 164.7° | 65.0° |
| C22 | C02 | C03 | H15 | 44.9° | 175.0° |
| C02 | C22 | C23 | H25 | 173.1° | 62.3° |
| C02 | C22 | C23 | H26 | 68.4° | 177.6° |
| C22 | C02 | C25 | H27 | 179.4° | 60.9° |
| C22 | C02 | C25 | H28 | 61.0° | 179.2° |
| C22 | C02 | O01 | H41 | 180.0° | 60.0° |
| C22 | C23 | C24 | H25 | 120.7° | 119.9° |
| C22 | C23 | C24 | H26 | 120.7° | 119.9° |
| C22 | C23 | C24 | N26 | 48.2° | 59.2° |
| C23 | C22 | C02 | C03 | 175.3° | 62.3° |
| C23 | C22 | C02 | C25 | 55.3° | 57.6° |
| C23 | C22 | C02 | O01 | 69.8° | 177.6° |
| C23 | C22 | H10 | H11 | 119.1° | 120.2° |
| C22 | C23 | C24 | H12 | 72.3° | 179.2° |
| C22 | C23 | C24 | H13 | 168.8° | 60.8° |
| C22 | C23 | H25 | H26 | 117.8° | 120.1° |
| C23 | C24 | N26 | H12 | 120.6° | 120.0° |
| C23 | C24 | N26 | H13 | 120.6° | 120.0° |
| C23 | C24 | N26 | C25 | 47.9° | 61.7° |
| C23 | C24 | N26 | C27 | 111.2° | 174.2° |
| C24 | C23 | C22 | H10 | 67.9° | 177.5° |
| C24 | C23 | C22 | H11 | 172.7° | 62.2° |
| C23 | C24 | H12 | H13 | 118.2° | 120.0° |
| C24 | C23 | H25 | H26 | 117.8° | 120.1° |
| C24 | N26 | C25 | C02 | 55.9° | 61.7° |
| C24 | N26 | C25 | C27 | 159.7° | 124.1° |
| C24 | N26 | C27 | C40 | 50.8° | 56.0° |
| C24 | N26 | C27 | N28 | 130.9° | 124.2° |
| N26 | C24 | H12 | H13 | 118.2° | 120.0° |
| N26 | C24 | C23 | H25 | 168.9° | 60.8° |
| N26 | C24 | C23 | H26 | 72.5° | 179.1° |
| C24 | N26 | C25 | H27 | 176.7° | 58.3° |
| C24 | N26 | C25 | H28 | 64.9° | 178.2° |
| C03 | C02 | C25 | O01 | 120.1° | 120.1° |
| C02 | C03 | N04 | H14 | 120.1° | 120.0° |
| C02 | C03 | N04 | H15 | 120.1° | 120.1° |
| C02 | C03 | N04 | C05 | 93.0° | 180.0° |
| C03 | C02 | C25 | N26 | 177.6° | 60.7° |
| C03 | C02 | C22 | H10 | 55.0° | 57.5° |
| C03 | C02 | C22 | H11 | 64.4° | 177.8° |
| C02 | C03 | H14 | H15 | 119.7° | 120.1° |
| C03 | C02 | C25 | H27 | 61.6° | 179.2° |
| C03 | C02 | C25 | H28 | 56.8° | 59.3° |
| C02 | C03 | N04 | H38 | 87.0° | 0.0° |
| C03 | C02 | O01 | H41 | 63.9° | 60.0° |
| C25 | C02 | C03 | N04 | 42.4° | 174.8° |
| C02 | C25 | N26 | H27 | 120.8° | 120.0° |
| C02 | C25 | N26 | H28 | 120.8° | 120.0° |
| C02 | C25 | N26 | C27 | 103.9° | 174.2° |
| C25 | C02 | C22 | H10 | 65.0° | 177.5° |
| C25 | C02 | C22 | H11 | 175.6° | 62.2° |
| C25 | C02 | C03 | H14 | 77.7° | 54.8° |
| C25 | C02 | C03 | H15 | 162.5° | 65.2° |
| C02 | C25 | H27 | H28 | 117.4° | 120.0° |
| C25 | C02 | O01 | H41 | 59.1° | 179.8° |
| O01 | C02 | C03 | N04 | 167.5° | 65.1° |
| O01 | C02 | C25 | N26 | 62.3° | 179.1° |
| O01 | C02 | C22 | H10 | 169.9° | 62.5° |
| O01 | C02 | C22 | H11 | 50.6° | 57.8° |
| O01 | C02 | C03 | H14 | 47.4° | 174.9° |
| O01 | C02 | C03 | H15 | 72.4° | 54.9° |
| O01 | C02 | C25 | H27 | 58.5° | 59.1° |
| O01 | C02 | C25 | H28 | 176.9° | 60.8° |
| C03 | N04 | C05 | C06 | 179.4° | 180.0° |
| C03 | N04 | C05 | H38 | 180.0° | 180.0° |
| C03 | N04 | C05 | O21 | 1.2° | 0.0° |
| N04 | C03 | H14 | H15 | 119.7° | 119.9° |
| C06 | C05 | N04 | O21 | 179.4° | 180.0° |
| C05 | C06 | C07 | C08 | 178.8° | 180.0° |
| C05 | C06 | C20 | H9 | 0.8° | 0.2° |
| C05 | C06 | C07 | H16 | 1.2° | 0.0° |
| C06 | C05 | N04 | H38 | 0.7° | 0.0° |
| N04 | C05 | C06 | C07 | 8.8° | 0.0° |
| C05 | N04 | C03 | H14 | 146.9° | 60.0° |
| C05 | N04 | C03 | H15 | 27.1° | 59.9° |
| O21 | C05 | C06 | C07 | 170.6° | 180.0° |
| O21 | C05 | N04 | H38 | 178.7° | 180.0° |
| C06 | C07 | C08 | H16 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C06 | C20 | H9 | 178.7° | 179.8° |
| C06 | C07 | C08 | H17 | 179.7° | 180.0° |
| C07 | C08 | C09 | H17 | 180.0° | 180.0° |
| C07 | C08 | C09 | C19 | 1.0° | 0.0° |
| C08 | C09 | C10 | H1 | 169.7° | 150.0° |
| C08 | C09 | C10 | H2 | 69.4° | 29.9° |
| C09 | C08 | C07 | H16 | 179.7° | 180.0° |
| C08 | C09 | C19 | H24 | 179.4° | 180.0° |
| C19 | C09 | C10 | H1 | 8.7° | 30.0° |
| C19 | C09 | C10 | H2 | 112.2° | 150.1° |
| C09 | C19 | C20 | H9 | 179.4° | 179.8° |
| C19 | C09 | C08 | H17 | 179.0° | 180.0° |
| C14 | C12 | N11 | H18 | 115.8° | 114.3° |
| C14 | C12 | N11 | H19 | 115.8° | 114.2° |
| C12 | C14 | C13 | H3 | 141.9° | 137.5° |
| C12 | C14 | C13 | H4 | 89.7° | 91.0° |
| C12 | C14 | C15 | H5 | 10.6° | 10.8° |
| C12 | C14 | C15 | H6 | 111.9° | 110.8° |
| C14 | C12 | H18 | H19 | 131.2° | 131.9° |
| C12 | C14 | C18 | H22 | 9.3° | 34.8° |
| C12 | C14 | C18 | H23 | 132.1° | 87.9° |
| N11 | C12 | C14 | C18 | 88.0° | 93.4° |
| C12 | N11 | C10 | H1 | 65.3° | 29.6° |
| C12 | N11 | C10 | H2 | 173.8° | 149.6° |
| C12 | N11 | C13 | H3 | 141.4° | 138.3° |
| C12 | N11 | C13 | H4 | 90.2° | 90.2° |
| N11 | C12 | H18 | H19 | 131.2° | 131.8° |
| C18 | C14 | C13 | H3 | 24.4° | 20.8° |
| C18 | C14 | C13 | H4 | 152.7° | 152.3° |
| C18 | C14 | C15 | H5 | 121.0° | 119.4° |
| C18 | C14 | C15 | H6 | 116.5° | 119.0° |
| C14 | C18 | C17 | H7 | 91.8° | 155.6° |
| C14 | C18 | C17 | H8 | 147.6° | 81.1° |
| C18 | C14 | C12 | H18 | 156.2° | 152.3° |
| C18 | C14 | C12 | H19 | 27.7° | 20.8° |
| C14 | C18 | H22 | H23 | 124.0° | 122.7° |
| C25 | N26 | C27 | C40 | 152.6° | 179.8° |
| C25 | N26 | C27 | N28 | 25.7° | 0.0° |
| C25 | N26 | C24 | H12 | 72.6° | 178.3° |
| C25 | N26 | C24 | H13 | 168.5° | 58.2° |
| N26 | C25 | H27 | H28 | 117.4° | 119.9° |
| C40 | C27 | N26 | N28 | 178.3° | 179.8° |
| C40 | C27 | N28 | C29 | 0.2° | 0.1° |
| C27 | C40 | C31 | H37 | 180.0° | 179.9° |
| C27 | C40 | C31 | N30 | 0.0° | 0.4° |
| C27 | C40 | C31 | N32 | 179.8° | 180.0° |
| N26 | C27 | N28 | C29 | 178.5° | 179.7° |
| N26 | C27 | C40 | C31 | 178.5° | 179.9° |
| C27 | N26 | C24 | H12 | 128.2° | 54.2° |
| C27 | N26 | C24 | H13 | 9.3° | 65.9° |
| C27 | N26 | C25 | H27 | 17.0° | 65.8° |
| C27 | N26 | C25 | H28 | 135.3° | 54.1° |
| N26 | C27 | C40 | H37 | 1.4° | 0.1° |
| C27 | N28 | C29 | N30 | 0.1° | 0.1° |
| N28 | C27 | C40 | C31 | 0.3° | 0.1° |
| C27 | N28 | C29 | H29 | 180.0° | 179.9° |
| N28 | C27 | C40 | H37 | 179.7° | 179.7° |
| N28 | C29 | N30 | H29 | 180.0° | 180.0° |
| N28 | C29 | N30 | C31 | 0.3° | 0.2° |
| C29 | N30 | C31 | C40 | 0.3° | 0.4° |
| C29 | N30 | C31 | N32 | 179.9° | 180.0° |
| C40 | C31 | N30 | N32 | 179.8° | 179.6° |
| C40 | C31 | N32 | C33 | 12.4° | 0.1° |
| C40 | C31 | N32 | H40 | 135.1° | 179.9° |
| N30 | C31 | N32 | C33 | 167.4° | 179.5° |
| C31 | N30 | C29 | H29 | 179.7° | 179.8° |
| N30 | C31 | C40 | H37 | 180.0° | 179.5° |
| N30 | C31 | N32 | H40 | 44.6° | 0.5° |
| C31 | N32 | C33 | H40 | 122.8° | 180.0° |
| C31 | N32 | C33 | C34 | 59.3° | 180.0° |
| C31 | N32 | C33 | H30 | 179.2° | 60.1° |
| C31 | N32 | C33 | H31 | 62.2° | 60.0° |
| N32 | C31 | C40 | H37 | 0.2° | 0.1° |
| N32 | C33 | C34 | C35 | 160.5° | 90.0° |
| N32 | C33 | C34 | C39 | 19.6° | 90.2° |
| N32 | C33 | C34 | H30 | 121.5° | 119.9° |
| N32 | C33 | C34 | H31 | 121.5° | 120.0° |
| N32 | C33 | H30 | H31 | 115.1° | 120.0° |
| C35 | C34 | C39 | C33 | 179.9° | 179.7° |
| C34 | C35 | C36 | H32 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C35 | C34 | C39 | C38 | 0.0° | 0.5° |
| C35 | C34 | C33 | H30 | 78.0° | 150.0° |
| C35 | C34 | C33 | H31 | 39.0° | 30.0° |
| C34 | C35 | C36 | H33 | 179.7° | 180.0° |
| C35 | C34 | C39 | H36 | 180.0° | 179.7° |
| C39 | C34 | C35 | C36 | 0.2° | 0.3° |
| C34 | C39 | C38 | C37 | 0.0° | 0.5° |
| C34 | C39 | C38 | H36 | 180.0° | 179.8° |
| C39 | C34 | C33 | H30 | 101.9° | 29.7° |
| C39 | C34 | C33 | H31 | 141.1° | 149.8° |
| C39 | C34 | C35 | H32 | 179.8° | 179.8° |
| C34 | C39 | C38 | H35 | 180.0° | 179.8° |
| C35 | C36 | C37 | H33 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.2° | 0.1° |
| C36 | C35 | C34 | C33 | 179.9° | 180.0° |
| C35 | C36 | C37 | H34 | 179.8° | 179.9° |
| C36 | C37 | C38 | H34 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.1° | 0.3° |
| C37 | C36 | C35 | H32 | 179.7° | 180.0° |
| C36 | C37 | C38 | H35 | 179.9° | 180.0° |
| C37 | C38 | C39 | H35 | 180.0° | 179.7° |
| C38 | C37 | C36 | H33 | 179.8° | 180.0° |
| C37 | C38 | C39 | H36 | 180.0° | 179.7° |
| C38 | C39 | C34 | C33 | 180.0° | 179.8° |
| C39 | C38 | C37 | H34 | 179.9° | 179.9° |
| C34 | C33 | H30 | H31 | 115.1° | 120.1° |
| C33 | C34 | C35 | H32 | 0.1° | 0.0° |
| C33 | C34 | C39 | H36 | 0.0° | 0.0° |
| C34 | C33 | N32 | H40 | 63.5° | 0.0° |
| H5 | C15 | C16 | H20 | 16.5° | 24.0° |
| H5 | C15 | C16 | H21 | 137.0° | 98.5° |
| H6 | C15 | C16 | H20 | 106.0° | 145.6° |
| H6 | C15 | C16 | H21 | 14.6° | 23.1° |
| H7 | C17 | C16 | H20 | 28.9° | 37.1° |
| H7 | C17 | C16 | H21 | 149.5° | 85.4° |
| H7 | C17 | C18 | H22 | 26.8° | 37.0° |
| H7 | C17 | C18 | H23 | 149.6° | 85.8° |
| H8 | C17 | C16 | H20 | 91.7° | 160.5° |
| H8 | C17 | C16 | H21 | 28.8° | 37.9° |
| H8 | C17 | C18 | H22 | 93.8° | 160.3° |
| H8 | C17 | C18 | H23 | 29.0° | 37.5° |
| H9 | C20 | C19 | H24 | 0.5° | 0.2° |
| H10 | C22 | C23 | H25 | 52.8° | 57.6° |
| H10 | C22 | C23 | H26 | 171.3° | 62.5° |
| H11 | C22 | C23 | H25 | 66.6° | 177.8° |
| H11 | C22 | C23 | H26 | 51.9° | 57.7° |
| H12 | C24 | C23 | H25 | 48.4° | 59.3° |
| H12 | C24 | C23 | H26 | 166.9° | 60.9° |
| H13 | C24 | C23 | H25 | 70.5° | 179.3° |
| H13 | C24 | C23 | H26 | 48.1° | 59.1° |
| H14 | C03 | N04 | H38 | 33.1° | 120.0° |
| H15 | C03 | N04 | H38 | 152.9° | 120.1° |
| H16 | C07 | C08 | H17 | 0.3° | 0.0° |
| H30 | C33 | N32 | H40 | 58.1° | 119.9° |
| H31 | C33 | N32 | H40 | 175.0° | 120.0° |
| H32 | C35 | C36 | H33 | 0.3° | 0.1° |
| H33 | C36 | C37 | H34 | 0.2° | 0.1° |
| H34 | C37 | C38 | H35 | 0.1° | 0.1° |
| H35 | C38 | C39 | H36 | 0.0° | 0.0° |
