ROV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N29 | sing | 1.47Å | 1.46Å | |
| C30 | N29 | sing | 1.46Å | 1.45Å | |
| N29 | C26 | sing | 1.40Å | 1.46Å | |
| C26 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.51Å | 1.57Å | |
| C03 | C02 | sing | 1.53Å | 1.57Å | |
| C21 | C20 | sing | 1.55Å | 1.61Å | |
| C21 | C22 | sing | 1.55Å | 1.60Å | |
| C20 | C19 | sing | 1.54Å | 1.37Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C22 | C18 | sing | 1.54Å | 1.38Å | |
| C18 | C19 | sing | 1.54Å | 1.69Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| N16 | C14 | sing | 1.35Å | 1.51Å | |
| N13 | C14 | sing | 1.35Å | 1.50Å | |
| N13 | C05 | sing | 1.40Å | 1.49Å | |
| C04 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.20Å | |
| C05 | C06 | sing | 1.39Å | 1.45Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C10 | sing | 1.51Å | 1.59Å | |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| N13 | H18 | sing | 0.97Å | 1.00Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N29 | C30 | 121.6° | 120.0° |
| C31 | N29 | C26 | 118.6° | 120.0° |
| N29 | C31 | H37 | 109.5° | 109.5° |
| N29 | C31 | H38 | 109.5° | 109.5° |
| N29 | C31 | H39 | 109.5° | 109.5° |
| C30 | N29 | C26 | 119.8° | 120.0° |
| N29 | C30 | H34 | 109.5° | 109.5° |
| N29 | C30 | H35 | 109.4° | 109.5° |
| N29 | C30 | H36 | 109.5° | 109.5° |
| N29 | C26 | C25 | 119.5° | 120.0° |
| N29 | C26 | C27 | 120.8° | 120.1° |
| C25 | C26 | C27 | 119.6° | 119.8° |
| C26 | C25 | C24 | 120.5° | 119.9° |
| C26 | C25 | H31 | 119.8° | 120.0° |
| C26 | C27 | C28 | 120.0° | 119.9° |
| C26 | C27 | H32 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.8° | 120.1° |
| C25 | C24 | H30 | 119.6° | 119.9° |
| C24 | C25 | H31 | 119.7° | 120.0° |
| C27 | C28 | C23 | 121.2° | 120.1° |
| C28 | C27 | H32 | 120.0° | 120.1° |
| C27 | C28 | H33 | 119.4° | 120.0° |
| C24 | C23 | C28 | 117.9° | 120.1° |
| C24 | C23 | C18 | 123.1° | 119.9° |
| C23 | C24 | H30 | 119.6° | 120.0° |
| C28 | C23 | C18 | 119.0° | 119.9° |
| C23 | C28 | H33 | 119.4° | 120.0° |
| C23 | C18 | C22 | 111.9° | 110.1° |
| C23 | C18 | C19 | 115.1° | 110.0° |
| C23 | C18 | C17 | 110.4° | 110.0° |
| C03 | C02 | C01 | 111.6° | 109.5° |
| C03 | C02 | C04 | 113.0° | 109.4° |
| C03 | C02 | H11 | 106.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.4° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C20 | C21 | C22 | 103.6° | 102.8° |
| C21 | C20 | C19 | 105.2° | 104.2° |
| C21 | C20 | H24 | 110.5° | 110.5° |
| C21 | C20 | H25 | 110.5° | 110.6° |
| C20 | C21 | H26 | 110.9° | 110.7° |
| C20 | C21 | H27 | 110.9° | 110.7° |
| C21 | C22 | C18 | 103.7° | 104.2° |
| C22 | C21 | H26 | 110.9° | 110.8° |
| C22 | C21 | H27 | 110.9° | 110.8° |
| C21 | C22 | H28 | 110.9° | 110.5° |
| C21 | C22 | H29 | 110.9° | 110.5° |
| C20 | C19 | C18 | 106.3° | 106.6° |
| C20 | C19 | H22 | 110.3° | 110.0° |
| C20 | C19 | H23 | 110.3° | 110.1° |
| C19 | C20 | H24 | 110.5° | 110.5° |
| C19 | C20 | H25 | 110.5° | 110.4° |
| C01 | C02 | C04 | 111.8° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 106.6° | 109.5° |
| C02 | C04 | C05 | 122.0° | 120.0° |
| C02 | C04 | C09 | 119.2° | 120.1° |
| C04 | C02 | H11 | 106.9° | 109.4° |
| C22 | C18 | C19 | 100.3° | 106.6° |
| C22 | C18 | C17 | 109.4° | 110.0° |
| C18 | C22 | H28 | 110.9° | 110.5° |
| C18 | C22 | H29 | 110.9° | 110.5° |
| C19 | C18 | C17 | 109.3° | 110.1° |
| C18 | C19 | H22 | 110.2° | 110.0° |
| C18 | C19 | H23 | 110.3° | 110.0° |
| C18 | C17 | N16 | 113.4° | 109.5° |
| C18 | C17 | H20 | 108.5° | 109.4° |
| C18 | C17 | H21 | 108.5° | 109.4° |
| C17 | N16 | C14 | 122.7° | 120.0° |
| C17 | N16 | H19 | 118.7° | 120.0° |
| N16 | C17 | H20 | 108.4° | 109.5° |
| N16 | C17 | H21 | 108.5° | 109.4° |
| N16 | C14 | N13 | 119.3° | 120.0° |
| N16 | C14 | O15 | 120.8° | 120.0° |
| C14 | N16 | H19 | 118.6° | 120.0° |
| C14 | N13 | C05 | 122.3° | 119.9° |
| N13 | C14 | O15 | 119.9° | 120.0° |
| C14 | N13 | H18 | 118.8° | 120.0° |
| N13 | C05 | C04 | 119.8° | 120.1° |
| N13 | C05 | C06 | 119.2° | 120.0° |
| C05 | N13 | H18 | 118.8° | 120.1° |
| C05 | C04 | C09 | 118.7° | 119.9° |
| C04 | C05 | C06 | 121.0° | 119.9° |
| C04 | C09 | C08 | 120.8° | 120.1° |
| C04 | C09 | H17 | 119.6° | 120.0° |
| C05 | C06 | C07 | 119.1° | 119.9° |
| C05 | C06 | C10 | 119.4° | 120.1° |
| C09 | C08 | C07 | 120.2° | 120.1° |
| C09 | C08 | H16 | 119.9° | 120.0° |
| C08 | C09 | H17 | 119.6° | 119.9° |
| C11 | C10 | C06 | 111.3° | 109.5° |
| C11 | C10 | C12 | 111.0° | 109.4° |
| C11 | C10 | H1 | 106.9° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| C07 | C06 | C10 | 121.5° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.1° |
| C06 | C07 | H15 | 120.0° | 120.0° |
| C06 | C10 | C12 | 114.5° | 109.5° |
| C06 | C10 | H1 | 106.1° | 109.5° |
| C08 | C07 | H15 | 119.9° | 119.9° |
| C07 | C08 | H16 | 119.9° | 119.9° |
| C12 | C10 | H1 | 106.4° | 109.4° |
| C10 | C12 | H5 | 109.5° | 109.5° |
| C10 | C12 | H6 | 109.5° | 109.5° |
| C10 | C12 | H7 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.4° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H7 | 109.4° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.4° | 109.4° |
| H12 | C03 | H14 | 109.4° | 109.5° |
| H13 | C03 | H14 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.6° |
| H22 | C19 | H23 | 109.5° | 110.0° |
| H24 | C20 | H25 | 109.4° | 110.4° |
| H26 | C21 | H27 | 109.5° | 110.8° |
| H28 | C22 | H29 | 109.5° | 110.5° |
| H34 | C30 | H35 | 109.5° | 109.4° |
| H34 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.4° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N29 | C30 | C26 | 179.7° | 180.0° |
| C31 | N29 | C26 | C25 | 75.5° | 174.6° |
| C31 | N29 | C26 | C27 | 104.1° | 5.4° |
| C31 | N29 | C30 | H34 | 180.0° | 89.9° |
| C31 | N29 | C30 | H35 | 60.0° | 30.0° |
| C31 | N29 | C30 | H36 | 60.0° | 150.0° |
| N29 | C31 | H37 | H38 | 120.0° | 120.0° |
| N29 | C31 | H37 | H39 | 120.0° | 120.0° |
| N29 | C31 | H38 | H39 | 120.0° | 120.0° |
| C30 | N29 | C26 | C25 | 104.2° | 5.4° |
| C30 | N29 | C26 | C27 | 76.2° | 174.6° |
| N29 | C30 | H34 | H35 | 120.0° | 120.0° |
| N29 | C30 | H34 | H36 | 120.0° | 120.1° |
| N29 | C30 | H35 | H36 | 120.0° | 120.0° |
| C30 | N29 | C31 | H37 | 180.0° | 174.8° |
| C30 | N29 | C31 | H38 | 60.0° | 54.7° |
| C30 | N29 | C31 | H39 | 60.0° | 65.2° |
| N29 | C26 | C25 | C27 | 179.6° | 180.0° |
| N29 | C26 | C25 | C24 | 179.8° | 180.0° |
| N29 | C26 | C27 | C28 | 179.9° | 179.8° |
| N29 | C26 | C25 | H31 | 0.2° | 0.0° |
| N29 | C26 | C27 | H32 | 0.1° | 0.0° |
| C26 | N29 | C30 | H34 | 0.3° | 90.0° |
| C26 | N29 | C30 | H35 | 120.3° | 150.0° |
| C26 | N29 | C30 | H36 | 119.7° | 30.0° |
| C26 | N29 | C31 | H37 | 0.3° | 5.2° |
| C26 | N29 | C31 | H38 | 119.7° | 125.3° |
| C26 | N29 | C31 | H39 | 120.3° | 114.7° |
| C26 | C25 | C24 | H31 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.3° |
| C26 | C25 | C24 | C23 | 0.4° | 0.1° |
| C26 | C25 | C24 | H30 | 179.6° | 180.0° |
| C25 | C26 | C27 | H32 | 179.7° | 180.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C27 | C28 | H32 | 180.0° | 179.7° |
| C26 | C27 | C28 | C23 | 0.6° | 0.5° |
| C27 | C26 | C25 | H31 | 179.8° | 179.9° |
| C26 | C27 | C28 | H33 | 179.4° | 180.0° |
| C25 | C24 | C23 | H30 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.6° | 0.2° |
| C25 | C24 | C23 | C18 | 179.7° | 180.0° |
| C27 | C28 | C23 | C24 | 0.8° | 0.5° |
| C27 | C28 | C23 | H33 | 180.0° | 179.5° |
| C27 | C28 | C23 | C18 | 179.9° | 179.7° |
| C24 | C23 | C28 | C18 | 179.1° | 179.7° |
| C24 | C23 | C18 | C22 | 118.6° | 54.2° |
| C24 | C23 | C18 | C19 | 4.9° | 62.9° |
| C24 | C23 | C18 | C17 | 119.3° | 175.6° |
| C23 | C24 | C25 | H31 | 179.6° | 180.0° |
| C24 | C23 | C28 | H33 | 179.3° | 180.0° |
| C28 | C23 | C18 | C22 | 62.3° | 126.0° |
| C28 | C23 | C18 | C19 | 176.0° | 116.8° |
| C28 | C23 | C18 | C17 | 59.8° | 4.6° |
| C28 | C23 | C24 | H30 | 179.4° | 179.8° |
| C23 | C28 | C27 | H32 | 179.4° | 179.7° |
| C23 | C18 | C22 | C21 | 79.7° | 142.9° |
| C23 | C18 | C19 | C20 | 76.2° | 119.3° |
| C23 | C18 | C22 | C19 | 122.6° | 119.3° |
| C23 | C18 | C22 | C17 | 122.6° | 121.4° |
| C23 | C18 | C19 | C17 | 124.8° | 121.4° |
| C23 | C18 | C17 | N16 | 37.2° | 64.2° |
| C23 | C18 | C17 | H20 | 157.7° | 175.8° |
| C23 | C18 | C17 | H21 | 83.4° | 55.7° |
| C23 | C18 | C19 | H22 | 43.3° | 121.4° |
| C23 | C18 | C19 | H23 | 164.3° | 0.0° |
| C23 | C18 | C22 | H28 | 161.2° | 24.2° |
| C23 | C18 | C22 | H29 | 39.4° | 98.4° |
| C18 | C23 | C24 | H30 | 0.3° | 0.0° |
| C18 | C23 | C28 | H33 | 0.1° | 0.2° |
| C03 | C02 | C01 | C04 | 127.7° | 120.0° |
| C03 | C02 | C01 | H11 | 115.8° | 120.0° |
| C03 | C02 | C04 | H11 | 116.8° | 120.0° |
| C03 | C02 | C04 | C05 | 123.1° | 154.8° |
| C03 | C02 | C04 | C09 | 57.3° | 25.0° |
| C03 | C02 | C01 | H8 | 180.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 180.0° |
| C02 | C03 | H12 | H13 | 120.0° | 119.9° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 120.0° |
| C20 | C21 | C22 | H26 | 119.1° | 118.3° |
| C20 | C21 | C22 | H27 | 119.0° | 118.3° |
| C21 | C20 | C19 | H24 | 119.4° | 118.7° |
| C21 | C20 | C19 | H25 | 119.4° | 118.8° |
| C20 | C21 | C22 | C18 | 32.0° | 37.9° |
| C21 | C20 | C19 | C18 | 22.1° | 23.6° |
| C21 | C20 | C19 | H22 | 141.6° | 95.7° |
| C21 | C20 | C19 | H23 | 97.4° | 142.9° |
| C21 | C20 | H24 | H25 | 122.0° | 122.8° |
| C20 | C21 | H26 | H27 | 122.7° | 123.3° |
| C20 | C21 | C22 | H28 | 87.1° | 80.7° |
| C20 | C21 | C22 | H29 | 151.1° | 156.6° |
| C22 | C21 | C20 | C19 | 2.7° | 37.9° |
| C21 | C22 | C18 | H28 | 119.1° | 118.7° |
| C21 | C22 | C18 | H29 | 119.1° | 118.7° |
| C21 | C22 | C18 | C19 | 42.9° | 23.6° |
| C21 | C22 | C18 | C17 | 157.7° | 95.7° |
| C22 | C21 | C20 | H24 | 122.1° | 156.6° |
| C22 | C21 | C20 | H25 | 116.6° | 80.7° |
| C22 | C21 | H26 | H27 | 122.7° | 123.4° |
| C21 | C22 | H28 | H29 | 122.7° | 122.6° |
| C20 | C19 | C18 | C22 | 44.1° | 0.0° |
| C20 | C19 | C18 | H22 | 119.5° | 119.3° |
| C20 | C19 | C18 | H23 | 119.5° | 119.4° |
| C20 | C19 | C18 | C17 | 158.9° | 119.3° |
| C20 | C19 | H22 | H23 | 121.5° | 121.5° |
| C19 | C20 | H24 | H25 | 121.9° | 122.5° |
| C19 | C20 | C21 | H26 | 121.8° | 80.4° |
| C19 | C20 | C21 | H27 | 116.3° | 156.3° |
| C01 | C02 | C04 | H11 | 116.3° | 120.0° |
| C01 | C02 | C04 | C05 | 110.0° | 85.2° |
| C01 | C02 | C04 | C09 | 69.7° | 95.0° |
| C02 | C01 | H8 | H9 | 120.0° | 119.9° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 180.0° | 60.0° |
| C01 | C02 | C03 | H13 | 60.0° | 180.0° |
| C01 | C02 | C03 | H14 | 60.0° | 60.0° |
| C02 | C04 | C05 | N13 | 0.5° | 0.1° |
| C02 | C04 | C05 | C09 | 179.6° | 179.8° |
| C02 | C04 | C05 | C06 | 179.8° | 180.0° |
| C02 | C04 | C09 | C08 | 179.9° | 179.7° |
| C04 | C02 | C01 | H8 | 52.3° | 60.0° |
| C04 | C02 | C01 | H9 | 67.7° | 180.0° |
| C04 | C02 | C01 | H10 | 172.3° | 60.0° |
| C04 | C02 | C03 | H12 | 52.9° | 60.0° |
| C04 | C02 | C03 | H13 | 172.9° | 60.0° |
| C04 | C02 | C03 | H14 | 67.0° | 180.0° |
| C02 | C04 | C09 | H17 | 0.2° | 0.0° |
| C22 | C18 | C19 | C17 | 114.9° | 119.3° |
| C22 | C18 | C17 | N16 | 160.8° | 57.2° |
| C22 | C18 | C17 | H20 | 78.7° | 62.8° |
| C22 | C18 | C17 | H21 | 40.2° | 177.1° |
| C22 | C18 | C19 | H22 | 163.5° | 119.3° |
| C22 | C18 | C19 | H23 | 75.4° | 119.4° |
| C18 | C22 | C21 | H26 | 151.1° | 80.3° |
| C18 | C22 | C21 | H27 | 87.0° | 156.2° |
| C18 | C22 | H28 | H29 | 122.7° | 122.6° |
| C19 | C18 | C17 | N16 | 90.3° | 174.4° |
| C19 | C18 | C17 | H20 | 30.2° | 54.4° |
| C19 | C18 | C17 | H21 | 149.1° | 65.7° |
| C18 | C19 | H22 | H23 | 121.5° | 121.3° |
| C18 | C19 | C20 | H24 | 97.2° | 142.3° |
| C18 | C19 | C20 | H25 | 141.5° | 95.2° |
| C19 | C18 | C22 | H28 | 76.2° | 95.1° |
| C19 | C18 | C22 | H29 | 162.0° | 142.3° |
| C18 | C17 | N16 | H20 | 120.6° | 120.0° |
| C18 | C17 | N16 | H21 | 120.6° | 119.9° |
| C18 | C17 | N16 | C14 | 97.8° | 175.8° |
| C18 | C17 | N16 | H19 | 82.2° | 4.1° |
| C18 | C17 | H20 | H21 | 118.2° | 120.0° |
| C17 | C18 | C19 | H22 | 81.6° | 0.0° |
| C17 | C18 | C19 | H23 | 39.5° | 121.4° |
| C17 | C18 | C22 | H28 | 38.6° | 145.6° |
| C17 | C18 | C22 | H29 | 83.2° | 23.0° |
| C17 | N16 | C14 | H19 | 180.0° | 180.0° |
| C17 | N16 | C14 | N13 | 179.4° | 180.0° |
| C17 | N16 | C14 | O15 | 0.1° | 0.0° |
| N16 | C17 | H20 | H21 | 118.2° | 120.0° |
| N16 | C14 | N13 | O15 | 179.5° | 180.0° |
| N16 | C14 | N13 | C05 | 179.9° | 175.7° |
| N16 | C14 | N13 | H18 | 0.1° | 4.3° |
| C14 | N16 | C17 | H20 | 22.8° | 55.9° |
| C14 | N16 | C17 | H21 | 141.6° | 64.2° |
| C14 | N13 | C05 | H18 | 180.0° | 180.0° |
| C14 | N13 | C05 | C04 | 98.9° | 58.7° |
| C14 | N13 | C05 | C06 | 81.8° | 121.4° |
| N13 | C14 | N16 | H19 | 0.6° | 0.0° |
| N13 | C05 | C04 | C06 | 179.3° | 179.9° |
| N13 | C05 | C04 | C09 | 179.9° | 179.8° |
| C05 | N13 | C14 | O15 | 0.6° | 4.3° |
| N13 | C05 | C06 | C07 | 179.6° | 179.9° |
| N13 | C05 | C06 | C10 | 0.2° | 0.0° |
| C05 | C04 | C09 | C08 | 0.5° | 0.5° |
| C04 | C05 | C06 | C07 | 0.4° | 0.0° |
| C04 | C05 | C06 | C10 | 179.4° | 180.0° |
| C05 | C04 | C02 | H11 | 6.3° | 34.8° |
| C05 | C04 | C09 | H17 | 179.5° | 179.7° |
| C04 | C05 | N13 | H18 | 81.1° | 121.4° |
| C09 | C04 | C05 | C06 | 0.6° | 0.2° |
| C04 | C09 | C08 | H17 | 180.0° | 179.8° |
| C04 | C09 | C08 | C07 | 0.1° | 0.5° |
| C09 | C04 | C02 | H11 | 174.1° | 144.9° |
| C04 | C09 | C08 | H16 | 179.8° | 179.7° |
| O15 | C14 | N13 | H18 | 179.4° | 175.6° |
| O15 | C14 | N16 | H19 | 179.9° | 180.0° |
| C05 | C06 | C10 | C11 | 69.3° | 115.4° |
| C05 | C06 | C07 | C10 | 179.8° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C05 | C06 | C10 | C12 | 163.7° | 124.6° |
| C05 | C06 | C10 | H1 | 46.6° | 4.6° |
| C05 | C06 | C07 | H15 | 180.0° | 180.0° |
| C06 | C05 | N13 | H18 | 98.2° | 58.6° |
| C09 | C08 | C07 | C06 | 0.1° | 0.2° |
| C09 | C08 | C07 | H16 | 180.0° | 179.8° |
| C09 | C08 | C07 | H15 | 179.9° | 179.8° |
| C11 | C10 | C06 | C07 | 110.5° | 64.6° |
| C11 | C10 | C06 | C12 | 126.9° | 120.0° |
| C11 | C10 | C06 | H1 | 115.9° | 120.0° |
| C11 | C10 | C12 | H1 | 115.9° | 120.0° |
| C10 | C11 | H2 | H3 | 120.0° | 120.0° |
| C10 | C11 | H2 | H4 | 120.0° | 120.1° |
| C10 | C11 | H3 | H4 | 120.0° | 120.0° |
| C11 | C10 | C12 | H5 | 180.0° | 60.0° |
| C11 | C10 | C12 | H6 | 60.0° | 180.0° |
| C11 | C10 | C12 | H7 | 60.0° | 60.0° |
| C06 | C07 | C08 | H15 | 180.0° | 180.0° |
| C07 | C06 | C10 | C12 | 16.5° | 55.3° |
| C07 | C06 | C10 | H1 | 133.6° | 175.3° |
| C06 | C07 | C08 | H16 | 179.9° | 180.0° |
| C10 | C06 | C07 | C08 | 179.8° | 180.0° |
| C06 | C10 | C12 | H1 | 117.0° | 120.0° |
| C06 | C10 | C11 | H2 | 180.0° | 179.9° |
| C06 | C10 | C11 | H3 | 60.0° | 60.0° |
| C06 | C10 | C11 | H4 | 60.0° | 60.0° |
| C06 | C10 | C12 | H5 | 52.9° | 60.0° |
| C06 | C10 | C12 | H6 | 172.9° | 60.0° |
| C06 | C10 | C12 | H7 | 67.1° | 180.0° |
| C10 | C06 | C07 | H15 | 0.2° | 0.0° |
| C07 | C08 | C09 | H17 | 179.8° | 179.7° |
| C12 | C10 | C11 | H2 | 51.1° | 60.0° |
| C12 | C10 | C11 | H3 | 171.2° | 180.0° |
| C12 | C10 | C11 | H4 | 68.9° | 60.0° |
| C10 | C12 | H5 | H6 | 120.0° | 120.0° |
| C10 | C12 | H5 | H7 | 120.0° | 120.1° |
| C10 | C12 | H6 | H7 | 120.0° | 120.1° |
| H1 | C10 | C11 | H2 | 64.5° | 59.9° |
| H1 | C10 | C11 | H3 | 55.5° | 60.0° |
| H1 | C10 | C11 | H4 | 175.5° | 180.0° |
| H1 | C10 | C12 | H5 | 64.1° | 180.0° |
| H1 | C10 | C12 | H6 | 55.9° | 60.0° |
| H1 | C10 | C12 | H7 | 176.0° | 60.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H5 | C12 | H6 | H7 | 120.0° | 119.9° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 64.2° | 180.0° |
| H9 | C01 | C02 | H11 | 175.8° | 60.1° |
| H10 | C01 | C02 | H11 | 55.8° | 60.0° |
| H11 | C02 | C03 | H12 | 64.1° | 179.9° |
| H11 | C02 | C03 | H13 | 55.9° | 60.0° |
| H11 | C02 | C03 | H14 | 175.9° | 60.0° |
| H12 | C03 | H13 | H14 | 120.0° | 120.0° |
| H15 | C07 | C08 | H16 | 0.1° | 0.0° |
| H16 | C08 | C09 | H17 | 0.2° | 0.0° |
| H19 | N16 | C17 | H20 | 157.3° | 124.1° |
| H19 | N16 | C17 | H21 | 38.4° | 115.8° |
| H22 | C19 | C20 | H24 | 22.2° | 23.1° |
| H22 | C19 | C20 | H25 | 99.0° | 145.5° |
| H23 | C19 | C20 | H24 | 143.3° | 98.4° |
| H23 | C19 | C20 | H25 | 22.0° | 24.1° |
| H24 | C20 | C21 | H26 | 118.8° | 38.3° |
| H24 | C20 | C21 | H27 | 3.0° | 85.1° |
| H25 | C20 | C21 | H26 | 2.5° | 160.9° |
| H25 | C20 | C21 | H27 | 124.3° | 37.6° |
| H26 | C21 | C22 | H28 | 32.0° | 161.0° |
| H26 | C21 | C22 | H29 | 89.8° | 38.3° |
| H27 | C21 | C22 | H28 | 153.9° | 37.5° |
| H27 | C21 | C22 | H29 | 32.1° | 85.1° |
| H30 | C24 | C25 | H31 | 0.4° | 0.1° |
| H32 | C27 | C28 | H33 | 0.6° | 0.2° |
| H34 | C30 | H35 | H36 | 120.0° | 120.0° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
