VB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | N06 | sing | 1.47Å | 1.43Å | |
| C07 | N06 | sing | 1.47Å | 1.27Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C42 | C02 | sing | 1.53Å | 1.44Å | |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C04 | sing | 1.53Å | 1.43Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C32 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | N30 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | S13 | sing | 1.76Å | 1.76Å | |
| C14 | S13 | sing | 1.81Å | 1.82Å | |
| C15 | C16 | sing | 1.47Å | 1.58Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | N24 | sing | 1.47Å | 1.51Å | |
| N30 | C29 | sing | 1.39Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.45Å | |
| C38 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | O40 | doub | 1.22Å | 1.19Å | |
| C16 | N17 | sing | 1.35Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.44Å | |
| C29 | N28 | sing | 1.33Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.39Å | 1.47Å | |
| N24 | C23 | sing | 1.47Å | 1.53Å | |
| C25 | N26 | doub | 1.33Å | 1.31Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.51Å | |
| C23 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C19 | O39 | sing | 1.43Å | 1.43Å | |
| N28 | C27 | doub | 1.32Å | 1.33Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| N17 | H43 | sing | 0.97Å | 1.00Å | |
| N30 | H44 | sing | 0.97Å | 1.00Å | |
| O39 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 119.4° | 120.0° |
| C34 | C33 | C32 | 120.6° | 120.0° |
| C34 | C33 | H32 | 119.7° | 120.0° |
| C33 | C34 | H33 | 120.3° | 120.0° |
| C34 | C35 | C36 | 120.3° | 119.9° |
| C35 | C34 | H33 | 120.3° | 120.0° |
| C34 | C35 | H34 | 119.9° | 120.0° |
| C42 | C41 | N06 | 113.1° | 109.5° |
| C41 | C42 | C02 | 114.3° | 109.3° |
| C42 | C41 | H38 | 108.6° | 109.5° |
| C42 | C41 | H39 | 108.6° | 109.5° |
| C41 | C42 | H40 | 108.2° | 109.5° |
| C41 | C42 | H41 | 108.3° | 109.5° |
| C41 | N06 | C07 | 110.1° | 111.0° |
| C41 | N06 | C05 | 111.2° | 111.1° |
| N06 | C41 | H38 | 108.6° | 109.4° |
| N06 | C41 | H39 | 108.5° | 109.5° |
| N06 | C07 | C08 | 105.4° | 109.4° |
| C07 | N06 | C05 | 111.4° | 111.0° |
| N06 | C07 | H18 | 110.4° | 109.4° |
| N06 | C07 | H19 | 110.5° | 109.5° |
| C07 | C08 | C09 | 122.5° | 119.8° |
| C07 | C08 | C11 | 117.6° | 119.8° |
| C08 | C07 | H18 | 110.5° | 109.5° |
| C08 | C07 | H19 | 110.4° | 109.5° |
| C33 | C32 | C31 | 117.8° | 120.0° |
| C33 | C32 | C37 | 120.0° | 120.0° |
| C32 | C33 | H32 | 119.7° | 120.0° |
| C03 | C02 | C42 | 112.0° | 109.6° |
| C03 | C02 | C01 | 107.8° | 109.5° |
| C03 | C02 | C04 | 107.9° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.4° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.4° | 109.5° |
| C42 | C02 | C01 | 108.4° | 109.6° |
| C42 | C02 | C04 | 109.9° | 109.2° |
| C02 | C42 | H40 | 108.3° | 109.5° |
| C02 | C42 | H41 | 108.3° | 109.5° |
| N06 | C05 | C04 | 114.7° | 109.5° |
| N06 | C05 | H16 | 108.1° | 109.5° |
| N06 | C05 | H17 | 108.1° | 109.4° |
| C35 | C36 | C37 | 120.3° | 120.1° |
| C36 | C35 | H34 | 119.8° | 120.0° |
| C35 | C36 | H35 | 119.9° | 120.0° |
| C09 | C08 | C11 | 119.8° | 120.4° |
| C08 | C09 | C10 | 120.0° | 120.3° |
| C08 | C09 | H20 | 120.0° | 119.8° |
| C08 | C11 | C12 | 118.6° | 120.0° |
| C08 | C11 | H21 | 120.7° | 120.0° |
| C09 | C10 | C15 | 120.5° | 120.0° |
| C09 | C10 | H1 | 119.7° | 120.0° |
| C10 | C09 | H20 | 120.0° | 119.9° |
| C01 | C02 | C04 | 110.8° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C04 | C05 | 109.1° | 109.3° |
| C02 | C04 | H14 | 109.6° | 109.5° |
| C02 | C04 | H15 | 109.6° | 109.5° |
| C05 | C04 | H14 | 109.6° | 109.5° |
| C05 | C04 | H15 | 109.6° | 109.5° |
| C04 | C05 | H16 | 108.1° | 109.5° |
| C04 | C05 | H17 | 108.1° | 109.5° |
| C31 | C32 | C37 | 122.2° | 120.0° |
| C32 | C31 | N30 | 115.3° | 109.4° |
| C32 | C31 | H30 | 108.0° | 109.5° |
| C32 | C31 | H31 | 108.0° | 109.5° |
| C32 | C37 | C36 | 119.4° | 120.0° |
| C32 | C37 | H36 | 120.3° | 120.0° |
| C31 | N30 | C29 | 121.2° | 119.9° |
| N30 | C31 | H30 | 108.0° | 109.5° |
| N30 | C31 | H31 | 108.0° | 109.5° |
| C31 | N30 | H44 | 106.5° | 120.0° |
| C11 | C12 | C15 | 122.8° | 119.7° |
| C11 | C12 | S13 | 120.3° | 120.2° |
| C12 | C11 | H21 | 120.7° | 120.0° |
| C10 | C15 | C12 | 118.1° | 119.5° |
| C10 | C15 | C16 | 122.3° | 120.2° |
| C15 | C10 | H1 | 119.7° | 120.0° |
| C37 | C36 | H35 | 119.8° | 120.0° |
| C36 | C37 | H36 | 120.3° | 120.1° |
| C15 | C12 | S13 | 116.9° | 120.1° |
| C12 | C15 | C16 | 119.5° | 120.3° |
| C12 | S13 | C14 | 102.3° | 103.0° |
| S13 | C14 | H22 | 109.5° | 109.4° |
| S13 | C14 | H23 | 109.5° | 109.5° |
| S13 | C14 | H24 | 109.5° | 109.5° |
| C15 | C16 | O40 | 120.6° | 120.0° |
| C15 | C16 | N17 | 120.6° | 120.0° |
| C21 | C22 | N24 | 110.6° | 109.6° |
| C22 | C21 | C20 | 111.3° | 109.2° |
| C22 | C21 | H4 | 109.0° | 109.5° |
| C22 | C21 | H5 | 109.0° | 109.6° |
| C21 | C22 | H6 | 109.2° | 109.4° |
| C21 | C22 | H7 | 109.2° | 109.5° |
| C22 | N24 | C25 | 123.8° | 111.0° |
| C22 | N24 | C23 | 112.1° | 111.2° |
| N24 | C22 | H6 | 109.2° | 109.5° |
| N24 | C22 | H7 | 109.2° | 109.5° |
| N30 | C29 | C38 | 121.1° | 120.5° |
| N30 | C29 | N28 | 119.9° | 120.4° |
| C29 | N30 | H44 | 106.5° | 120.0° |
| C21 | C20 | C19 | 115.2° | 109.2° |
| C21 | C20 | H2 | 108.0° | 109.5° |
| C21 | C20 | H3 | 108.1° | 109.6° |
| C20 | C21 | H4 | 109.0° | 109.5° |
| C20 | C21 | H5 | 109.0° | 109.5° |
| C29 | C38 | C25 | 117.2° | 118.2° |
| C38 | C29 | N28 | 119.0° | 119.1° |
| C29 | C38 | H37 | 121.4° | 120.9° |
| C38 | C25 | N24 | 119.9° | 120.5° |
| C38 | C25 | N26 | 121.1° | 119.0° |
| C25 | C38 | H37 | 121.4° | 120.9° |
| O40 | C16 | N17 | 118.8° | 120.0° |
| C16 | N17 | C18 | 121.4° | 120.0° |
| C16 | N17 | H43 | 119.3° | 120.0° |
| C20 | C19 | C23 | 114.0° | 109.3° |
| C20 | C19 | C18 | 109.3° | 109.5° |
| C20 | C19 | O39 | 111.2° | 109.5° |
| C19 | C20 | H2 | 108.0° | 109.5° |
| C19 | C20 | H3 | 108.0° | 109.6° |
| C29 | N28 | C27 | 121.7° | 120.9° |
| C25 | N24 | C23 | 123.9° | 111.0° |
| N24 | C25 | N26 | 119.1° | 120.5° |
| N24 | C23 | C19 | 113.1° | 109.5° |
| N24 | C23 | H27 | 108.6° | 109.5° |
| N24 | C23 | H28 | 108.6° | 109.4° |
| C25 | N26 | C27 | 119.6° | 120.9° |
| N17 | C18 | C19 | 111.1° | 109.5° |
| N17 | C18 | H25 | 109.1° | 109.5° |
| N17 | C18 | H26 | 109.1° | 109.5° |
| C18 | N17 | H43 | 119.3° | 119.9° |
| C23 | C19 | C18 | 110.9° | 109.5° |
| C23 | C19 | O39 | 106.0° | 109.5° |
| C19 | C23 | H27 | 108.6° | 109.4° |
| C19 | C23 | H28 | 108.6° | 109.5° |
| C18 | C19 | O39 | 105.0° | 109.5° |
| C19 | C18 | H25 | 109.1° | 109.5° |
| C19 | C18 | H26 | 109.1° | 109.5° |
| C19 | O39 | H45 | 109.5° | 114.0° |
| N28 | C27 | N26 | 121.5° | 121.9° |
| N28 | C27 | H29 | 119.3° | 119.1° |
| N26 | C27 | H29 | 119.3° | 119.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.6° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.4° | 109.5° |
| H11 | C03 | H13 | 109.5° | 109.4° |
| H12 | C03 | H13 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H16 | C05 | H17 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H38 | C41 | H39 | 109.5° | 109.5° |
| H40 | C42 | H41 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.5° | 0.0° |
| C34 | C33 | C32 | C31 | 179.9° | 179.9° |
| C34 | C33 | C32 | C37 | 0.0° | 0.4° |
| C33 | C34 | C35 | H34 | 179.5° | 180.0° |
| C35 | C34 | C33 | C32 | 0.3° | 0.1° |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.2° |
| C35 | C34 | C33 | H32 | 179.7° | 180.0° |
| C34 | C35 | C36 | H35 | 179.6° | 180.0° |
| C42 | C41 | N06 | H38 | 120.5° | 120.0° |
| C42 | C41 | N06 | H39 | 120.5° | 120.0° |
| C42 | C41 | N06 | C07 | 169.6° | 174.2° |
| C41 | C42 | C02 | C03 | 64.5° | 62.3° |
| C41 | C42 | C02 | H40 | 120.7° | 119.9° |
| C41 | C42 | C02 | H41 | 120.7° | 119.9° |
| C42 | C41 | N06 | C05 | 45.7° | 61.8° |
| C41 | C42 | C02 | C01 | 176.7° | 177.5° |
| C41 | C42 | C02 | C04 | 55.5° | 57.7° |
| C42 | C41 | H38 | H39 | 118.4° | 120.0° |
| C41 | C42 | H40 | H41 | 117.8° | 120.1° |
| C41 | N06 | C07 | C05 | 123.8° | 124.1° |
| C41 | N06 | C07 | C08 | 172.3° | 170.0° |
| N06 | C41 | C42 | C02 | 49.6° | 59.2° |
| C41 | N06 | C05 | C04 | 51.2° | 61.8° |
| C41 | N06 | C05 | H16 | 172.0° | 58.3° |
| C41 | N06 | C05 | H17 | 69.6° | 178.3° |
| C41 | N06 | C07 | H18 | 52.9° | 70.0° |
| C41 | N06 | C07 | H19 | 68.4° | 50.1° |
| N06 | C41 | H38 | H39 | 118.4° | 120.0° |
| N06 | C41 | C42 | H40 | 170.3° | 60.7° |
| N06 | C41 | C42 | H41 | 71.1° | 179.2° |
| N06 | C07 | C08 | H18 | 119.4° | 119.9° |
| N06 | C07 | C08 | H19 | 119.4° | 120.0° |
| N06 | C07 | C08 | C09 | 111.5° | 90.0° |
| N06 | C07 | C08 | C11 | 67.0° | 89.5° |
| C07 | N06 | C05 | C04 | 174.4° | 174.2° |
| C07 | N06 | C05 | H16 | 64.8° | 65.8° |
| C07 | N06 | C05 | H17 | 53.7° | 54.2° |
| N06 | C07 | H18 | H19 | 121.9° | 120.0° |
| C07 | N06 | C41 | H38 | 69.9° | 54.2° |
| C07 | N06 | C41 | H39 | 49.1° | 65.8° |
| C08 | C07 | N06 | C05 | 63.9° | 65.8° |
| C07 | C08 | C09 | C11 | 178.5° | 179.6° |
| C07 | C08 | C09 | C10 | 178.5° | 180.0° |
| C07 | C08 | C11 | C12 | 177.8° | 179.8° |
| C08 | C07 | H18 | H19 | 121.9° | 120.1° |
| C07 | C08 | C09 | H20 | 1.5° | 0.0° |
| C07 | C08 | C11 | H21 | 2.2° | 0.1° |
| C33 | C32 | C31 | C37 | 179.8° | 179.7° |
| C33 | C32 | C31 | N30 | 169.3° | 89.7° |
| C33 | C32 | C37 | C36 | 0.1° | 0.6° |
| C33 | C32 | C31 | H30 | 69.9° | 30.3° |
| C33 | C32 | C31 | H31 | 48.4° | 150.3° |
| C32 | C33 | C34 | H33 | 179.7° | 180.0° |
| C33 | C32 | C37 | H36 | 179.9° | 179.7° |
| C03 | C02 | C42 | C01 | 118.9° | 120.2° |
| C03 | C02 | C42 | C04 | 119.9° | 119.9° |
| C03 | C02 | C01 | C04 | 117.9° | 120.1° |
| C03 | C02 | C04 | C05 | 65.2° | 62.3° |
| C03 | C02 | C01 | H8 | 180.0° | 60.1° |
| C03 | C02 | C01 | H9 | 60.0° | 59.9° |
| C03 | C02 | C01 | H10 | 60.0° | 179.9° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C03 | C02 | C04 | H14 | 54.7° | 57.6° |
| C03 | C02 | C04 | H15 | 174.9° | 177.7° |
| C03 | C02 | C42 | H40 | 56.2° | 177.8° |
| C03 | C02 | C42 | H41 | 174.8° | 57.7° |
| C42 | C02 | C01 | C04 | 120.6° | 119.7° |
| C42 | C02 | C04 | C05 | 57.2° | 57.6° |
| C42 | C02 | C01 | H8 | 58.5° | 179.7° |
| C42 | C02 | C01 | H9 | 178.5° | 60.3° |
| C42 | C02 | C01 | H10 | 61.5° | 59.6° |
| C42 | C02 | C03 | H11 | 180.0° | 179.9° |
| C42 | C02 | C03 | H12 | 60.0° | 59.8° |
| C42 | C02 | C03 | H13 | 60.0° | 60.2° |
| C42 | C02 | C04 | H14 | 177.2° | 177.6° |
| C42 | C02 | C04 | H15 | 62.7° | 62.3° |
| C02 | C42 | C41 | H38 | 170.1° | 179.1° |
| C02 | C42 | C41 | H39 | 70.9° | 60.8° |
| C02 | C42 | H40 | H41 | 117.8° | 120.1° |
| N06 | C05 | C04 | C02 | 57.6° | 59.2° |
| N06 | C05 | C04 | H16 | 120.8° | 120.1° |
| N06 | C05 | C04 | H17 | 120.8° | 119.9° |
| N06 | C05 | C04 | H14 | 177.5° | 179.2° |
| N06 | C05 | C04 | H15 | 62.3° | 60.8° |
| N06 | C05 | H16 | H17 | 117.6° | 119.9° |
| C05 | N06 | C07 | H18 | 176.7° | 54.2° |
| C05 | N06 | C07 | H19 | 55.4° | 174.2° |
| C05 | N06 | C41 | H38 | 166.2° | 178.3° |
| C05 | N06 | C41 | H39 | 74.8° | 58.3° |
| C35 | C36 | C37 | C32 | 0.1° | 0.5° |
| C35 | C36 | C37 | H35 | 180.0° | 179.8° |
| C36 | C35 | C34 | H33 | 179.5° | 180.0° |
| C35 | C36 | C37 | H36 | 179.9° | 179.8° |
| C08 | C09 | C10 | H20 | 180.0° | 180.0° |
| C09 | C08 | C11 | C12 | 0.8° | 0.7° |
| C08 | C09 | C10 | C15 | 0.2° | 0.0° |
| C08 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C08 | C07 | H18 | 129.1° | 150.0° |
| C09 | C08 | C07 | H19 | 7.8° | 29.9° |
| C09 | C08 | C11 | H21 | 179.2° | 179.5° |
| C11 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C11 | C12 | H21 | 180.0° | 179.9° |
| C08 | C11 | C12 | C15 | 1.3° | 0.4° |
| C08 | C11 | C12 | S13 | 178.9° | 180.0° |
| C11 | C08 | C07 | H18 | 52.3° | 30.4° |
| C11 | C08 | C07 | H19 | 173.6° | 150.5° |
| C11 | C08 | C09 | H20 | 180.0° | 179.5° |
| C09 | C10 | C15 | H1 | 180.0° | 179.7° |
| C09 | C10 | C15 | C12 | 0.3° | 0.3° |
| C09 | C10 | C15 | C16 | 179.4° | 179.8° |
| C01 | C02 | C04 | C05 | 177.0° | 177.6° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 60.8° | 59.9° |
| C01 | C02 | C03 | H12 | 179.2° | 179.9° |
| C01 | C02 | C03 | H13 | 59.2° | 60.0° |
| C01 | C02 | C04 | H14 | 63.1° | 62.5° |
| C01 | C02 | C04 | H15 | 57.1° | 57.6° |
| C01 | C02 | C42 | H40 | 62.6° | 57.6° |
| C01 | C02 | C42 | H41 | 56.0° | 62.5° |
| C02 | C04 | C05 | H14 | 120.0° | 120.0° |
| C02 | C04 | C05 | H15 | 119.9° | 119.9° |
| C04 | C02 | C01 | H8 | 62.1° | 60.0° |
| C04 | C02 | C01 | H9 | 57.9° | 180.0° |
| C04 | C02 | C01 | H10 | 177.8° | 60.1° |
| C04 | C02 | C03 | H11 | 58.9° | 60.1° |
| C04 | C02 | C03 | H12 | 61.1° | 59.9° |
| C04 | C02 | C03 | H13 | 178.9° | 179.9° |
| C02 | C04 | H14 | H15 | 120.2° | 120.1° |
| C02 | C04 | C05 | H16 | 178.4° | 60.9° |
| C02 | C04 | C05 | H17 | 63.2° | 179.1° |
| C04 | C02 | C42 | H40 | 176.2° | 62.3° |
| C04 | C02 | C42 | H41 | 65.2° | 177.6° |
| C05 | C04 | H14 | H15 | 120.2° | 120.1° |
| C04 | C05 | H16 | H17 | 117.6° | 120.0° |
| C32 | C31 | N30 | H30 | 120.8° | 120.0° |
| C32 | C31 | N30 | H31 | 120.8° | 120.0° |
| C31 | C32 | C37 | C36 | 179.8° | 179.7° |
| C32 | C31 | N30 | C29 | 92.5° | 180.0° |
| C32 | C31 | H30 | H31 | 117.3° | 120.0° |
| C31 | C32 | C33 | H32 | 0.2° | 0.0° |
| C31 | C32 | C37 | H36 | 0.2° | 0.0° |
| C32 | C31 | N30 | H44 | 145.9° | 0.0° |
| C37 | C32 | C31 | N30 | 10.9° | 90.0° |
| C32 | C37 | C36 | H36 | 180.0° | 179.7° |
| C37 | C32 | C31 | H30 | 109.9° | 150.0° |
| C37 | C32 | C31 | H31 | 131.8° | 30.0° |
| C37 | C32 | C33 | H32 | 180.0° | 179.7° |
| C32 | C37 | C36 | H35 | 179.9° | 179.7° |
| C31 | N30 | C29 | H44 | 121.6° | 179.9° |
| C31 | N30 | C29 | C38 | 5.6° | 0.0° |
| C31 | N30 | C29 | N28 | 175.2° | 180.0° |
| N30 | C31 | H30 | H31 | 117.4° | 120.0° |
| C11 | C12 | C15 | C10 | 1.1° | 0.1° |
| C11 | C12 | C15 | S13 | 177.6° | 179.6° |
| C11 | C12 | S13 | C14 | 86.7° | 0.1° |
| C11 | C12 | C15 | C16 | 179.8° | 180.0° |
| C10 | C15 | C12 | C16 | 179.2° | 180.0° |
| C10 | C15 | C12 | S13 | 178.7° | 179.5° |
| C10 | C15 | C16 | O40 | 17.2° | 180.0° |
| C10 | C15 | C16 | N17 | 165.5° | 0.0° |
| C15 | C10 | C09 | H20 | 179.7° | 180.0° |
| C37 | C36 | C35 | H34 | 179.6° | 179.7° |
| C15 | C12 | S13 | C14 | 91.0° | 179.5° |
| C12 | C15 | C16 | O40 | 161.9° | 0.0° |
| C12 | C15 | C16 | N17 | 15.3° | 179.9° |
| C12 | C15 | C10 | H1 | 179.7° | 180.0° |
| C15 | C12 | C11 | H21 | 178.6° | 179.8° |
| S13 | C12 | C15 | C16 | 2.1° | 0.5° |
| S13 | C12 | C11 | H21 | 1.1° | 0.2° |
| C12 | S13 | C14 | H22 | 180.0° | 60.1° |
| C12 | S13 | C14 | H23 | 60.0° | 60.0° |
| C12 | S13 | C14 | H24 | 60.0° | 180.0° |
| S13 | C14 | H22 | H23 | 120.0° | 120.1° |
| S13 | C14 | H22 | H24 | 120.0° | 120.0° |
| S13 | C14 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | O40 | N17 | 177.3° | 180.0° |
| C15 | C16 | N17 | C18 | 179.7° | 180.0° |
| C16 | C15 | C10 | H1 | 0.6° | 0.0° |
| C15 | C16 | N17 | H43 | 0.3° | 0.0° |
| C21 | C22 | N24 | H6 | 120.2° | 120.0° |
| C21 | C22 | N24 | H7 | 120.2° | 120.1° |
| C22 | C21 | C20 | H4 | 120.3° | 119.9° |
| C22 | C21 | C20 | H5 | 120.3° | 120.0° |
| C22 | C21 | C20 | C19 | 55.5° | 57.6° |
| C21 | C22 | N24 | C25 | 122.7° | 174.1° |
| C21 | C22 | N24 | C23 | 52.9° | 61.7° |
| C22 | C21 | C20 | H2 | 176.3° | 62.3° |
| C22 | C21 | C20 | H3 | 65.4° | 177.6° |
| C22 | C21 | H4 | H5 | 119.2° | 120.2° |
| C21 | C22 | H6 | H7 | 119.5° | 120.0° |
| N24 | C22 | C21 | C20 | 56.8° | 59.2° |
| C22 | N24 | C25 | C38 | 19.5° | 56.3° |
| C22 | N24 | C25 | C23 | 175.0° | 124.2° |
| C22 | N24 | C25 | N26 | 160.4° | 124.0° |
| C22 | N24 | C23 | C19 | 46.4° | 61.7° |
| N24 | C22 | C21 | H4 | 63.4° | 60.7° |
| N24 | C22 | C21 | H5 | 177.1° | 179.1° |
| N24 | C22 | H6 | H7 | 119.5° | 120.0° |
| C22 | N24 | C23 | H27 | 74.2° | 58.3° |
| C22 | N24 | C23 | H28 | 166.9° | 178.3° |
| N30 | C29 | C38 | N28 | 179.2° | 180.0° |
| N30 | C29 | C38 | C25 | 179.8° | 180.0° |
| N30 | C29 | N28 | C27 | 179.6° | 180.0° |
| C29 | N30 | C31 | H30 | 28.3° | 60.0° |
| C29 | N30 | C31 | H31 | 146.7° | 60.0° |
| N30 | C29 | C38 | H37 | 0.2° | 0.0° |
| C21 | C20 | C19 | H2 | 120.8° | 119.9° |
| C21 | C20 | C19 | H3 | 120.9° | 120.0° |
| C21 | C20 | C19 | C23 | 48.8° | 57.6° |
| C21 | C20 | C19 | C18 | 173.6° | 62.3° |
| C21 | C20 | C19 | O39 | 70.9° | 177.6° |
| C21 | C20 | H2 | H3 | 117.4° | 120.2° |
| C20 | C21 | H4 | H5 | 119.1° | 120.1° |
| C20 | C21 | C22 | H6 | 63.3° | 179.2° |
| C20 | C21 | C22 | H7 | 177.0° | 60.9° |
| C29 | C38 | C25 | H37 | 180.0° | 180.0° |
| C29 | C38 | C25 | N24 | 179.5° | 179.7° |
| C29 | C38 | C25 | N26 | 0.6° | 0.0° |
| C38 | C29 | N28 | C27 | 0.3° | 0.0° |
| C38 | C29 | N30 | H44 | 127.2° | 179.9° |
| C25 | C38 | C29 | N28 | 0.5° | 0.0° |
| C38 | C25 | N24 | N26 | 179.9° | 179.7° |
| C38 | C25 | N24 | C23 | 165.4° | 179.5° |
| C38 | C25 | N26 | C27 | 0.4° | 0.0° |
| O40 | C16 | N17 | C18 | 2.4° | 0.0° |
| O40 | C16 | N17 | H43 | 177.6° | 180.0° |
| C16 | N17 | C18 | H43 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 117.1° | 180.0° |
| C16 | N17 | C18 | H25 | 3.2° | 60.0° |
| C16 | N17 | C18 | H26 | 122.7° | 60.0° |
| C20 | C19 | C23 | N24 | 43.4° | 59.2° |
| C20 | C19 | C18 | N17 | 65.2° | 55.0° |
| C20 | C19 | C23 | C18 | 123.9° | 120.0° |
| C20 | C19 | C23 | O39 | 122.6° | 120.0° |
| C20 | C19 | C18 | O39 | 119.4° | 120.1° |
| C19 | C20 | H2 | H3 | 117.4° | 120.2° |
| C19 | C20 | C21 | H4 | 64.8° | 62.3° |
| C19 | C20 | C21 | H5 | 175.7° | 177.6° |
| C20 | C19 | C18 | H25 | 55.0° | 65.0° |
| C20 | C19 | C18 | H26 | 174.5° | 175.0° |
| C20 | C19 | C23 | H27 | 77.1° | 60.9° |
| C20 | C19 | C23 | H28 | 164.0° | 179.2° |
| C20 | C19 | O39 | H45 | 180.0° | 60.0° |
| C29 | N28 | C27 | N26 | 0.2° | 0.0° |
| C29 | N28 | C27 | H29 | 179.8° | 180.0° |
| N28 | C29 | C38 | H37 | 179.5° | 180.0° |
| N28 | C29 | N30 | H44 | 53.6° | 0.1° |
| C25 | N24 | C23 | C19 | 129.2° | 174.2° |
| N24 | C25 | N26 | C27 | 179.6° | 179.8° |
| C25 | N24 | C22 | H6 | 117.1° | 54.1° |
| C25 | N24 | C22 | H7 | 2.5° | 65.8° |
| C25 | N24 | C23 | H27 | 110.3° | 65.8° |
| C25 | N24 | C23 | H28 | 8.6° | 54.2° |
| N24 | C25 | C38 | H37 | 0.5° | 0.3° |
| C23 | N24 | C25 | N26 | 14.6° | 0.2° |
| N24 | C23 | C19 | H27 | 120.5° | 120.1° |
| N24 | C23 | C19 | H28 | 120.6° | 120.0° |
| N24 | C23 | C19 | C18 | 167.4° | 60.8° |
| N24 | C23 | C19 | O39 | 79.2° | 179.2° |
| C23 | N24 | C22 | H6 | 67.3° | 178.3° |
| C23 | N24 | C22 | H7 | 173.0° | 58.3° |
| N24 | C23 | H27 | H28 | 118.4° | 120.0° |
| C25 | N26 | C27 | N28 | 0.2° | 0.0° |
| C25 | N26 | C27 | H29 | 179.8° | 180.0° |
| N26 | C25 | C38 | H37 | 179.4° | 180.0° |
| N17 | C18 | C19 | C23 | 61.3° | 174.8° |
| N17 | C18 | C19 | H25 | 120.2° | 120.0° |
| N17 | C18 | C19 | H26 | 120.3° | 120.0° |
| N17 | C18 | C19 | O39 | 175.4° | 65.1° |
| N17 | C18 | H25 | H26 | 119.3° | 120.0° |
| C23 | C19 | C18 | O39 | 114.1° | 120.1° |
| C23 | C19 | C20 | H2 | 169.6° | 62.2° |
| C23 | C19 | C20 | H3 | 72.1° | 177.6° |
| C23 | C19 | C18 | H25 | 178.4° | 54.8° |
| C23 | C19 | C18 | H26 | 58.9° | 65.2° |
| C19 | C23 | H27 | H28 | 118.3° | 120.0° |
| C23 | C19 | O39 | H45 | 55.6° | 179.9° |
| C18 | C19 | C20 | H2 | 65.6° | 177.8° |
| C18 | C19 | C20 | H3 | 52.7° | 57.7° |
| C19 | C18 | H25 | H26 | 119.3° | 120.0° |
| C18 | C19 | C23 | H27 | 46.8° | 179.2° |
| C18 | C19 | C23 | H28 | 72.1° | 59.2° |
| C19 | C18 | N17 | H43 | 62.9° | 0.0° |
| C18 | C19 | O39 | H45 | 61.9° | 60.1° |
| O39 | C19 | C20 | H2 | 49.9° | 57.8° |
| O39 | C19 | C20 | H3 | 168.2° | 62.4° |
| O39 | C19 | C18 | H25 | 64.4° | 174.9° |
| O39 | C19 | C18 | H26 | 55.1° | 54.9° |
| O39 | C19 | C23 | H27 | 160.3° | 59.1° |
| O39 | C19 | C23 | H28 | 41.4° | 60.9° |
| N28 | C27 | N26 | H29 | 180.0° | 180.0° |
| H1 | C10 | C09 | H20 | 0.3° | 0.2° |
| H2 | C20 | C21 | H4 | 56.0° | 177.8° |
| H2 | C20 | C21 | H5 | 63.4° | 57.7° |
| H3 | C20 | C21 | H4 | 174.4° | 57.7° |
| H3 | C20 | C21 | H5 | 54.9° | 62.4° |
| H4 | C21 | C22 | H6 | 176.4° | 59.3° |
| H4 | C21 | C22 | H7 | 56.7° | 179.2° |
| H5 | C21 | C22 | H6 | 56.9° | 60.9° |
| H5 | C21 | C22 | H7 | 62.7° | 59.1° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | H12 | H13 | 120.0° | 120.0° |
| H14 | C04 | C05 | H16 | 61.7° | 59.1° |
| H14 | C04 | C05 | H17 | 56.8° | 60.9° |
| H15 | C04 | C05 | H16 | 58.4° | 179.2° |
| H15 | C04 | C05 | H17 | 176.9° | 59.2° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
| H25 | C18 | N17 | H43 | 176.8° | 120.0° |
| H26 | C18 | N17 | H43 | 57.3° | 120.0° |
| H30 | C31 | N30 | H44 | 93.3° | 120.0° |
| H31 | C31 | N30 | H44 | 25.0° | 119.9° |
| H32 | C33 | C34 | H33 | 0.3° | 0.0° |
| H33 | C34 | C35 | H34 | 0.5° | 0.0° |
| H34 | C35 | C36 | H35 | 0.4° | 0.0° |
| H35 | C36 | C37 | H36 | 0.2° | 0.0° |
| H38 | C41 | C42 | H40 | 69.2° | 59.2° |
| H38 | C41 | C42 | H41 | 49.4° | 60.9° |
| H39 | C41 | C42 | H40 | 49.8° | 179.3° |
| H39 | C41 | C42 | H41 | 168.4° | 59.2° |
