VH3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C34 | sing | 1.53Å | 1.53Å | |
| C31 | C28 | sing | 1.53Å | 1.56Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | F35 | sing | 1.40Å | 1.37Å | |
| C34 | C33 | sing | 1.51Å | 1.54Å | |
| C33 | O38 | doub | 1.21Å | 1.18Å | |
| C33 | N32 | sing | 1.35Å | 1.47Å | |
| N32 | C27 | sing | 1.47Å | 1.44Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | O39 | doub | 1.21Å | 1.19Å | |
| C26 | N25 | sing | 1.35Å | 1.47Å | |
| C40 | N25 | sing | 1.47Å | 1.57Å | |
| C40 | C02 | sing | 1.55Å | 1.37Å | |
| N25 | C04 | sing | 1.47Å | 1.62Å | |
| O01 | C02 | sing | 1.43Å | 1.38Å | |
| C02 | C03 | sing | 1.55Å | 1.68Å | |
| O24 | C05 | doub | 1.21Å | 1.19Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | sing | 1.54Å | 1.34Å | |
| C05 | N06 | sing | 1.35Å | 1.47Å | |
| N06 | C07 | sing | 1.46Å | 1.45Å | |
| C07 | C23 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| O10 | C11 | sing | 1.43Å | 1.41Å | |
| O10 | C09 | sing | 1.36Å | 1.42Å | |
| C22 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | F21 | sing | 1.35Å | 1.37Å | |
| C20 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.55Å | |
| S19 | C14 | sing | 1.76Å | 1.60Å | Aromatic |
| S19 | C18 | sing | 1.71Å | 1.63Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | N17 | sing | 1.31Å | 1.47Å | Aromatic |
| C18 | N17 | doub | 1.29Å | 1.40Å | Aromatic |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å | |
| N32 | H35 | sing | 0.97Å | 1.00Å | |
| O01 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C37 | C34 | 60.1° | 60.0° |
| C37 | C36 | C34 | 59.8° | 59.9° |
| C37 | C36 | H28 | 120.1° | 117.6° |
| C37 | C36 | H29 | 120.0° | 117.5° |
| C36 | C37 | H30 | 120.0° | 117.5° |
| C36 | C37 | H31 | 120.0° | 117.5° |
| C37 | C34 | C36 | 60.1° | 60.1° |
| C37 | C34 | F35 | 115.4° | 117.5° |
| C37 | C34 | C33 | 115.4° | 117.5° |
| C34 | C37 | H30 | 120.0° | 117.5° |
| C34 | C37 | H31 | 120.0° | 117.5° |
| C31 | C28 | C30 | 109.5° | 109.5° |
| C31 | C28 | C27 | 108.2° | 109.5° |
| C31 | C28 | C29 | 109.3° | 109.5° |
| C28 | C31 | H25 | 109.5° | 109.5° |
| C28 | C31 | H26 | 109.4° | 109.4° |
| C28 | C31 | H27 | 109.4° | 109.5° |
| C36 | C34 | F35 | 117.1° | 117.5° |
| C36 | C34 | C33 | 116.1° | 117.5° |
| C34 | C36 | H28 | 120.0° | 117.6° |
| C34 | C36 | H29 | 120.0° | 117.4° |
| F35 | C34 | C33 | 119.1° | 115.5° |
| C34 | C33 | O38 | 121.0° | 120.0° |
| C34 | C33 | N32 | 118.0° | 120.0° |
| O38 | C33 | N32 | 121.1° | 120.0° |
| C33 | N32 | C27 | 120.8° | 120.0° |
| C33 | N32 | H35 | 119.6° | 120.0° |
| N32 | C27 | C28 | 108.8° | 109.4° |
| N32 | C27 | C26 | 105.2° | 109.5° |
| N32 | C27 | H18 | 111.3° | 109.5° |
| C27 | N32 | H35 | 119.6° | 120.0° |
| C30 | C28 | C27 | 110.5° | 109.4° |
| C30 | C28 | C29 | 109.3° | 109.5° |
| C28 | C30 | H22 | 109.5° | 109.5° |
| C28 | C30 | H23 | 109.5° | 109.4° |
| C28 | C30 | H24 | 109.5° | 109.5° |
| C27 | C28 | C29 | 110.1° | 109.4° |
| C28 | C27 | C26 | 111.6° | 109.5° |
| C28 | C27 | H18 | 109.8° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.4° |
| C28 | C29 | H20 | 109.4° | 109.5° |
| C28 | C29 | H21 | 109.4° | 109.5° |
| C27 | C26 | O39 | 120.7° | 120.0° |
| C27 | C26 | N25 | 120.7° | 120.0° |
| C26 | C27 | H18 | 110.1° | 109.5° |
| O39 | C26 | N25 | 118.5° | 120.0° |
| C26 | N25 | C40 | 128.9° | 125.6° |
| C26 | N25 | C04 | 124.5° | 125.7° |
| N25 | C40 | C02 | 104.2° | 104.8° |
| C40 | N25 | C04 | 106.6° | 108.7° |
| N25 | C40 | H32 | 110.8° | 110.4° |
| N25 | C40 | H33 | 110.8° | 110.4° |
| C40 | C02 | O01 | 110.8° | 111.0° |
| C40 | C02 | C03 | 105.7° | 101.6° |
| C40 | C02 | H2 | 111.5° | 111.0° |
| C02 | C40 | H32 | 110.8° | 110.4° |
| C02 | C40 | H33 | 110.8° | 110.4° |
| N25 | C04 | C05 | 109.1° | 109.9° |
| N25 | C04 | C03 | 105.6° | 107.3° |
| N25 | C04 | H5 | 109.0° | 110.0° |
| O01 | C02 | C03 | 110.0° | 111.0° |
| O01 | C02 | H2 | 111.3° | 110.9° |
| C02 | O01 | H36 | 109.5° | 114.0° |
| C02 | C03 | C04 | 105.5° | 103.0° |
| C03 | C02 | H2 | 107.4° | 111.0° |
| C02 | C03 | H3 | 110.5° | 110.8° |
| C02 | C03 | H4 | 110.4° | 110.7° |
| O24 | C05 | C04 | 120.9° | 120.0° |
| O24 | C05 | N06 | 121.0° | 120.0° |
| C05 | C04 | C03 | 109.7° | 109.9° |
| C04 | C05 | N06 | 118.1° | 120.0° |
| C05 | C04 | H5 | 110.2° | 109.9° |
| C04 | C03 | H3 | 110.4° | 110.7° |
| C04 | C03 | H4 | 110.5° | 110.9° |
| C03 | C04 | H5 | 113.1° | 109.9° |
| C05 | N06 | C07 | 121.5° | 120.0° |
| C05 | N06 | H34 | 119.3° | 119.9° |
| N06 | C07 | C23 | 109.3° | 109.5° |
| N06 | C07 | C08 | 104.2° | 109.5° |
| N06 | C07 | H6 | 112.3° | 109.5° |
| C07 | N06 | H34 | 119.2° | 120.1° |
| C23 | C07 | C08 | 108.7° | 109.4° |
| C23 | C07 | H6 | 111.0° | 109.4° |
| C07 | C23 | H15 | 109.5° | 109.5° |
| C07 | C23 | H16 | 109.5° | 109.5° |
| C07 | C23 | H17 | 109.5° | 109.5° |
| C07 | C08 | C22 | 118.5° | 119.9° |
| C07 | C08 | C09 | 121.1° | 119.9° |
| C08 | C07 | H6 | 111.1° | 109.5° |
| C22 | C08 | C09 | 120.4° | 120.3° |
| C08 | C22 | C20 | 119.9° | 120.1° |
| C08 | C22 | H1 | 120.1° | 119.9° |
| C08 | C09 | O10 | 119.3° | 120.0° |
| C08 | C09 | C12 | 119.5° | 120.1° |
| C11 | O10 | C09 | 114.0° | 117.0° |
| O10 | C11 | H7 | 109.5° | 109.5° |
| O10 | C11 | H8 | 109.5° | 109.5° |
| O10 | C11 | H9 | 109.4° | 109.5° |
| O10 | C09 | C12 | 121.2° | 119.9° |
| C22 | C20 | F21 | 119.6° | 120.0° |
| C22 | C20 | C13 | 120.3° | 120.0° |
| C20 | C22 | H1 | 120.0° | 120.0° |
| C09 | C12 | C13 | 120.1° | 119.9° |
| C09 | C12 | H10 | 119.9° | 120.1° |
| F21 | C20 | C13 | 120.0° | 120.0° |
| C20 | C13 | C12 | 119.8° | 119.7° |
| C20 | C13 | C14 | 117.3° | 120.2° |
| C12 | C13 | C14 | 122.9° | 120.2° |
| C13 | C12 | H10 | 120.0° | 120.0° |
| C13 | C14 | S19 | 121.9° | 126.1° |
| C13 | C14 | C15 | 128.3° | 126.1° |
| C14 | S19 | C18 | 99.3° | 90.4° |
| S19 | C14 | C15 | 109.8° | 107.8° |
| S19 | C18 | N17 | 110.2° | 110.3° |
| S19 | C18 | H14 | 124.9° | 124.8° |
| C14 | C15 | C16 | 126.4° | 122.9° |
| C14 | C15 | N17 | 110.2° | 114.2° |
| C16 | C15 | N17 | 123.4° | 122.9° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.4° | 109.4° |
| C15 | N17 | C18 | 110.6° | 117.3° |
| N17 | C18 | H14 | 124.9° | 124.8° |
| H3 | C03 | H4 | 109.5° | 110.6° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.4° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.5° |
| H22 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 115.6° |
| H30 | C37 | H31 | 109.5° | 115.5° |
| H32 | C40 | H33 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C37 | C34 | H30 | 109.5° | 107.5° |
| C36 | C37 | C34 | H31 | 109.5° | 107.5° |
| C37 | C36 | C34 | H28 | 109.5° | 107.5° |
| C37 | C36 | C34 | H29 | 109.4° | 107.5° |
| C36 | C37 | C34 | F35 | 108.0° | 107.5° |
| C36 | C37 | C34 | C33 | 106.8° | 107.5° |
| C37 | C36 | H28 | H29 | 144.8° | 145.8° |
| C36 | C37 | H30 | H31 | 144.7° | 145.6° |
| C37 | C34 | F35 | C33 | 143.8° | 145.7° |
| C37 | C34 | C33 | O38 | 45.5° | 58.7° |
| C37 | C34 | C33 | N32 | 133.8° | 121.2° |
| C34 | C37 | H30 | H31 | 144.7° | 145.7° |
| C31 | C28 | C27 | N32 | 72.9° | 65.6° |
| C31 | C28 | C30 | C27 | 119.1° | 120.0° |
| C31 | C28 | C30 | C29 | 119.7° | 120.1° |
| C31 | C28 | C27 | C29 | 119.3° | 120.0° |
| C31 | C28 | C27 | C26 | 171.6° | 174.4° |
| C31 | C28 | C27 | H18 | 49.2° | 54.4° |
| C31 | C28 | C29 | H19 | 180.0° | 60.0° |
| C31 | C28 | C29 | H20 | 60.0° | 60.0° |
| C31 | C28 | C29 | H21 | 60.0° | 180.0° |
| C31 | C28 | C30 | H22 | 180.0° | 56.0° |
| C31 | C28 | C30 | H23 | 60.0° | 63.9° |
| C31 | C28 | C30 | H24 | 60.0° | 176.1° |
| C28 | C31 | H25 | H26 | 120.0° | 120.0° |
| C28 | C31 | H25 | H27 | 120.0° | 120.0° |
| C28 | C31 | H26 | H27 | 120.0° | 120.0° |
| C36 | C34 | F35 | C33 | 148.3° | 145.6° |
| C36 | C34 | C33 | O38 | 22.1° | 9.9° |
| C36 | C34 | C33 | N32 | 158.7° | 170.1° |
| C34 | C36 | H28 | H29 | 144.8° | 145.6° |
| F35 | C34 | C33 | O38 | 170.7° | 155.6° |
| F35 | C34 | C33 | N32 | 10.1° | 24.5° |
| F35 | C34 | C36 | H28 | 4.2° | 145.0° |
| F35 | C34 | C36 | H29 | 145.4° | 0.0° |
| F35 | C34 | C37 | H30 | 142.6° | 0.0° |
| F35 | C34 | C37 | H31 | 1.5° | 145.0° |
| C34 | C33 | O38 | N32 | 179.2° | 180.0° |
| C34 | C33 | N32 | C27 | 179.5° | 180.0° |
| C33 | C34 | C36 | H28 | 145.0° | 0.0° |
| C33 | C34 | C36 | H29 | 3.8° | 145.0° |
| C33 | C34 | C37 | H30 | 2.6° | 145.0° |
| C33 | C34 | C37 | H31 | 143.7° | 0.0° |
| C34 | C33 | N32 | H35 | 0.5° | 0.1° |
| O38 | C33 | N32 | C27 | 1.2° | 0.0° |
| O38 | C33 | N32 | H35 | 178.8° | 180.0° |
| C33 | N32 | C27 | H35 | 180.0° | 180.0° |
| C33 | N32 | C27 | C28 | 132.5° | 85.0° |
| C33 | N32 | C27 | C26 | 107.8° | 155.0° |
| C33 | N32 | C27 | H18 | 11.4° | 35.0° |
| N32 | C27 | C28 | C30 | 47.0° | 174.4° |
| N32 | C27 | C28 | C26 | 115.6° | 120.0° |
| N32 | C27 | C28 | H18 | 122.0° | 120.0° |
| N32 | C27 | C28 | C29 | 167.8° | 54.5° |
| N32 | C27 | C26 | H18 | 120.0° | 120.0° |
| N32 | C27 | C26 | O39 | 37.4° | 31.8° |
| N32 | C27 | C26 | N25 | 141.4° | 148.2° |
| C30 | C28 | C27 | C29 | 120.8° | 120.0° |
| C30 | C28 | C27 | C26 | 68.6° | 54.4° |
| C30 | C28 | C27 | H18 | 169.0° | 65.6° |
| C30 | C28 | C29 | H19 | 60.2° | 60.0° |
| C30 | C28 | C29 | H20 | 179.8° | 180.0° |
| C30 | C28 | C29 | H21 | 59.8° | 60.0° |
| C28 | C30 | H22 | H23 | 120.0° | 119.9° |
| C28 | C30 | H22 | H24 | 120.0° | 120.0° |
| C28 | C30 | H23 | H24 | 120.0° | 120.0° |
| C30 | C28 | C31 | H25 | 180.0° | 60.0° |
| C30 | C28 | C31 | H26 | 60.0° | 180.0° |
| C30 | C28 | C31 | H27 | 60.0° | 60.0° |
| C28 | C27 | C26 | H18 | 122.2° | 120.0° |
| C28 | C27 | C26 | O39 | 80.3° | 88.2° |
| C28 | C27 | C26 | N25 | 100.9° | 91.8° |
| C27 | C28 | C29 | H19 | 61.4° | 180.0° |
| C27 | C28 | C29 | H20 | 58.6° | 60.1° |
| C27 | C28 | C29 | H21 | 178.6° | 60.0° |
| C27 | C28 | C30 | H22 | 61.0° | 64.0° |
| C27 | C28 | C30 | H23 | 179.1° | 176.1° |
| C27 | C28 | C30 | H24 | 59.0° | 56.1° |
| C27 | C28 | C31 | H25 | 59.5° | 59.9° |
| C27 | C28 | C31 | H26 | 60.5° | 60.0° |
| C27 | C28 | C31 | H27 | 179.5° | 180.0° |
| C28 | C27 | N32 | H35 | 47.5° | 95.0° |
| C29 | C28 | C27 | C26 | 52.3° | 65.5° |
| C29 | C28 | C27 | H18 | 70.1° | 174.4° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C28 | C29 | H19 | H21 | 120.0° | 120.0° |
| C28 | C29 | H20 | H21 | 120.0° | 120.0° |
| C29 | C28 | C30 | H22 | 60.3° | 176.1° |
| C29 | C28 | C30 | H23 | 59.6° | 56.1° |
| C29 | C28 | C30 | H24 | 179.7° | 63.9° |
| C29 | C28 | C31 | H25 | 60.3° | 179.9° |
| C29 | C28 | C31 | H26 | 179.7° | 60.0° |
| C29 | C28 | C31 | H27 | 59.7° | 60.0° |
| C27 | C26 | O39 | N25 | 178.8° | 180.0° |
| C27 | C26 | N25 | C40 | 0.5° | 4.5° |
| C27 | C26 | N25 | C04 | 179.4° | 175.5° |
| C26 | C27 | N32 | H35 | 72.2° | 25.0° |
| O39 | C26 | N25 | C40 | 179.3° | 175.5° |
| O39 | C26 | N25 | C04 | 0.5° | 4.5° |
| O39 | C26 | C27 | H18 | 157.5° | 151.8° |
| C26 | N25 | C40 | C04 | 179.9° | 180.0° |
| C26 | N25 | C40 | C02 | 163.5° | 155.9° |
| C26 | N25 | C04 | C05 | 54.3° | 61.7° |
| C26 | N25 | C04 | C03 | 172.1° | 178.9° |
| C26 | N25 | C04 | H5 | 66.0° | 59.4° |
| N25 | C26 | C27 | H18 | 21.3° | 28.3° |
| C26 | N25 | C40 | H32 | 44.4° | 85.3° |
| C26 | N25 | C40 | H33 | 77.3° | 37.0° |
| N25 | C40 | C02 | H32 | 119.2° | 118.8° |
| N25 | C40 | C02 | H33 | 119.2° | 118.8° |
| N25 | C40 | C02 | O01 | 89.2° | 81.1° |
| N25 | C40 | C02 | C03 | 29.9° | 37.0° |
| C40 | N25 | C04 | C05 | 125.8° | 118.3° |
| C40 | N25 | C04 | C03 | 8.0° | 1.1° |
| N25 | C40 | C02 | H2 | 146.3° | 155.1° |
| C40 | N25 | C04 | H5 | 113.9° | 120.6° |
| N25 | C40 | H32 | H33 | 122.4° | 122.3° |
| C02 | C40 | N25 | C04 | 16.4° | 24.1° |
| C40 | C02 | O01 | C03 | 116.5° | 112.2° |
| C40 | C02 | O01 | H2 | 124.6° | 123.9° |
| C40 | C02 | C03 | H2 | 119.1° | 118.1° |
| C40 | C02 | C03 | C04 | 37.6° | 35.5° |
| C40 | C02 | C03 | H3 | 156.9° | 153.9° |
| C40 | C02 | C03 | H4 | 81.8° | 83.1° |
| C02 | C40 | H32 | H33 | 122.4° | 122.3° |
| C40 | C02 | O01 | H36 | 180.0° | 67.8° |
| N25 | C04 | C03 | C02 | 24.6° | 22.2° |
| N25 | C04 | C05 | O24 | 32.4° | 0.7° |
| N25 | C04 | C05 | C03 | 115.2° | 117.8° |
| N25 | C04 | C05 | H5 | 119.6° | 121.1° |
| N25 | C04 | C03 | H5 | 119.1° | 119.6° |
| N25 | C04 | C05 | N06 | 148.2° | 179.3° |
| N25 | C04 | C03 | H3 | 144.0° | 140.6° |
| N25 | C04 | C03 | H4 | 94.8° | 96.3° |
| C04 | N25 | C40 | H32 | 135.5° | 94.7° |
| C04 | N25 | C40 | H33 | 102.8° | 143.0° |
| O01 | C02 | C03 | H2 | 121.3° | 123.8° |
| O01 | C02 | C03 | C04 | 82.1° | 82.6° |
| O01 | C02 | C03 | H3 | 37.3° | 35.8° |
| O01 | C02 | C03 | H4 | 158.5° | 158.8° |
| O01 | C02 | C40 | H32 | 30.0° | 160.1° |
| O01 | C02 | C40 | H33 | 151.6° | 37.7° |
| C02 | C03 | C04 | C05 | 142.1° | 141.6° |
| C02 | C03 | C04 | H3 | 119.4° | 118.4° |
| C02 | C03 | C04 | H4 | 119.4° | 118.4° |
| C02 | C03 | H3 | H4 | 121.8° | 123.1° |
| C02 | C03 | C04 | H5 | 94.5° | 97.4° |
| C03 | C02 | C40 | H32 | 149.1° | 81.8° |
| C03 | C02 | C40 | H33 | 89.2° | 155.8° |
| C03 | C02 | O01 | H36 | 63.5° | 180.0° |
| O24 | C05 | C04 | N06 | 179.4° | 180.0° |
| O24 | C05 | C04 | C03 | 82.8° | 118.5° |
| O24 | C05 | N06 | C07 | 1.1° | 0.0° |
| O24 | C05 | C04 | H5 | 152.0° | 120.4° |
| O24 | C05 | N06 | H34 | 178.9° | 180.0° |
| C05 | C04 | C03 | H5 | 123.5° | 121.1° |
| C04 | C05 | N06 | C07 | 178.3° | 180.0° |
| C05 | C04 | C03 | H3 | 98.6° | 100.0° |
| C05 | C04 | C03 | H4 | 22.7° | 23.1° |
| C04 | C05 | N06 | H34 | 1.7° | 0.0° |
| C03 | C04 | C05 | N06 | 96.6° | 61.5° |
| C04 | C03 | C02 | H2 | 156.7° | 153.6° |
| C04 | C03 | H3 | H4 | 121.8° | 123.3° |
| C05 | N06 | C07 | H34 | 180.0° | 180.0° |
| C05 | N06 | C07 | C23 | 144.6° | 88.8° |
| C05 | N06 | C07 | C08 | 99.3° | 151.2° |
| N06 | C05 | C04 | H5 | 28.6° | 59.6° |
| C05 | N06 | C07 | H6 | 21.0° | 31.2° |
| N06 | C07 | C23 | C08 | 113.2° | 120.0° |
| N06 | C07 | C23 | H6 | 124.4° | 120.0° |
| N06 | C07 | C08 | H6 | 121.1° | 120.1° |
| N06 | C07 | C08 | C22 | 8.4° | 31.0° |
| N06 | C07 | C08 | C09 | 172.5° | 149.0° |
| N06 | C07 | C23 | H15 | 180.0° | 60.0° |
| N06 | C07 | C23 | H16 | 60.0° | 180.0° |
| N06 | C07 | C23 | H17 | 60.0° | 60.0° |
| C23 | C07 | C08 | H6 | 122.4° | 119.9° |
| C23 | C07 | C08 | C22 | 108.1° | 89.0° |
| C23 | C07 | C08 | C09 | 71.0° | 91.0° |
| C07 | C23 | H15 | H16 | 120.0° | 120.0° |
| C07 | C23 | H15 | H17 | 120.0° | 120.0° |
| C07 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C07 | N06 | H34 | 35.4° | 91.3° |
| C07 | C08 | C22 | C09 | 179.1° | 179.9° |
| C07 | C08 | C09 | O10 | 1.4° | 0.1° |
| C07 | C08 | C22 | C20 | 179.5° | 179.9° |
| C07 | C08 | C09 | C12 | 180.0° | 179.8° |
| C07 | C08 | C22 | H1 | 0.5° | 0.0° |
| C08 | C07 | C23 | H15 | 66.8° | 60.0° |
| C08 | C07 | C23 | H16 | 173.2° | 60.0° |
| C08 | C07 | C23 | H17 | 53.2° | 180.0° |
| C08 | C07 | N06 | H34 | 80.7° | 28.7° |
| C22 | C08 | C09 | O10 | 179.5° | 180.0° |
| C08 | C22 | C20 | H1 | 180.0° | 180.0° |
| C22 | C08 | C09 | C12 | 0.9° | 0.3° |
| C08 | C22 | C20 | F21 | 179.9° | 180.0° |
| C08 | C22 | C20 | C13 | 0.8° | 0.0° |
| C22 | C08 | C07 | H6 | 129.5° | 151.0° |
| C08 | C09 | O10 | C11 | 150.5° | 180.0° |
| C08 | C09 | O10 | C12 | 178.6° | 179.7° |
| C09 | C08 | C22 | C20 | 0.4° | 0.0° |
| C08 | C09 | C12 | C13 | 1.8° | 0.5° |
| C09 | C08 | C22 | H1 | 179.6° | 180.0° |
| C09 | C08 | C07 | H6 | 51.4° | 28.9° |
| C08 | C09 | C12 | H10 | 178.2° | 180.0° |
| C11 | O10 | C09 | C12 | 28.1° | 0.3° |
| O10 | C11 | H7 | H8 | 120.0° | 120.0° |
| O10 | C11 | H7 | H9 | 120.0° | 120.0° |
| O10 | C11 | H8 | H9 | 120.0° | 120.0° |
| O10 | C09 | C12 | C13 | 179.6° | 179.8° |
| C09 | O10 | C11 | H7 | 180.0° | 60.0° |
| C09 | O10 | C11 | H8 | 60.0° | 60.0° |
| C09 | O10 | C11 | H9 | 60.0° | 179.9° |
| O10 | C09 | C12 | H10 | 0.4° | 0.3° |
| C22 | C20 | F21 | C13 | 179.4° | 180.0° |
| C22 | C20 | C13 | C12 | 1.7° | 0.3° |
| C22 | C20 | C13 | C14 | 179.2° | 180.0° |
| C09 | C12 | C13 | C20 | 2.2° | 0.5° |
| C09 | C12 | C13 | H10 | 180.0° | 179.5° |
| C09 | C12 | C13 | C14 | 179.6° | 179.8° |
| F21 | C20 | C13 | C12 | 179.0° | 179.7° |
| F21 | C20 | C13 | C14 | 1.5° | 0.0° |
| F21 | C20 | C22 | H1 | 0.1° | 0.0° |
| C20 | C13 | C12 | C14 | 177.4° | 179.7° |
| C20 | C13 | C14 | S19 | 37.3° | 48.7° |
| C20 | C13 | C14 | C15 | 140.2° | 131.1° |
| C13 | C20 | C22 | H1 | 179.2° | 180.0° |
| C20 | C13 | C12 | H10 | 177.8° | 180.0° |
| C12 | C13 | C14 | S19 | 140.1° | 131.6° |
| C12 | C13 | C14 | C15 | 42.4° | 48.6° |
| C13 | C14 | S19 | C15 | 177.9° | 179.9° |
| C13 | C14 | S19 | C18 | 179.0° | 179.8° |
| C13 | C14 | C15 | C16 | 2.4° | 0.1° |
| C13 | C14 | C15 | N17 | 179.1° | 179.7° |
| C14 | C13 | C12 | H10 | 0.4° | 0.3° |
| S19 | C14 | C15 | C16 | 179.8° | 180.0° |
| S19 | C14 | C15 | N17 | 1.3° | 0.2° |
| C14 | S19 | C18 | N17 | 0.5° | 0.0° |
| C14 | S19 | C18 | H14 | 179.5° | 179.9° |
| C18 | S19 | C14 | C15 | 1.1° | 0.1° |
| S19 | C18 | N17 | C15 | 0.2° | 0.1° |
| S19 | C18 | N17 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | N17 | 178.3° | 179.8° |
| C14 | C15 | N17 | C18 | 1.0° | 0.2° |
| C14 | C15 | C16 | H11 | 178.3° | 84.9° |
| C14 | C15 | C16 | H12 | 58.3° | 35.1° |
| C14 | C15 | C16 | H13 | 61.7° | 155.1° |
| C16 | C15 | N17 | C18 | 179.5° | 180.0° |
| C15 | C16 | H11 | H12 | 120.0° | 120.0° |
| C15 | C16 | H11 | H13 | 120.0° | 120.0° |
| C15 | C16 | H12 | H13 | 120.0° | 120.0° |
| N17 | C15 | C16 | H11 | 0.0° | 95.3° |
| N17 | C15 | C16 | H12 | 120.0° | 144.7° |
| N17 | C15 | C16 | H13 | 120.0° | 24.7° |
| C15 | N17 | C18 | H14 | 179.8° | 180.0° |
| H2 | C02 | C03 | H3 | 84.0° | 88.0° |
| H2 | C02 | C03 | H4 | 37.3° | 35.0° |
| H2 | C02 | C40 | H32 | 94.6° | 36.3° |
| H2 | C02 | C40 | H33 | 27.1° | 86.1° |
| H2 | C02 | O01 | H36 | 55.3° | 56.1° |
| H3 | C03 | C04 | H5 | 24.9° | 21.0° |
| H4 | C03 | C04 | H5 | 146.1° | 144.2° |
| H6 | C07 | C23 | H15 | 55.7° | 180.0° |
| H6 | C07 | C23 | H16 | 64.4° | 60.0° |
| H6 | C07 | C23 | H17 | 175.6° | 60.0° |
| H6 | C07 | N06 | H34 | 159.0° | 148.8° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H11 | C16 | H12 | H13 | 120.0° | 120.0° |
| H15 | C23 | H16 | H17 | 119.9° | 120.0° |
| H18 | C27 | N32 | H35 | 168.6° | 145.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.0° |
| H22 | C30 | H23 | H24 | 120.0° | 120.1° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
| H28 | C36 | C37 | H30 | 141.1° | 145.0° |
| H28 | C36 | C37 | H31 | 0.1° | 0.0° |
| H29 | C36 | C37 | H30 | 0.0° | 0.1° |
| H29 | C36 | C37 | H31 | 141.1° | 145.1° |
