V69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| O31 | C30 | doub | 1.21Å | 1.19Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.48Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C30 | C19 | sing | 1.51Å | 1.52Å | |
| C30 | N29 | sing | 1.37Å | 1.44Å | |
| C28 | N29 | sing | 1.48Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| N16 | C15 | sing | 1.36Å | 1.45Å | |
| O22 | C15 | doub | 1.21Å | 1.20Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C15 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C10 | N09 | sing | 1.48Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N09 | C08 | sing | 1.37Å | 1.44Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| O23 | C08 | doub | 1.21Å | 1.19Å | |
| C08 | O07 | sing | 1.35Å | 1.38Å | |
| C24 | C06 | sing | 1.53Å | 1.52Å | |
| O07 | C06 | sing | 1.45Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| N09 | H40 | sing | 0.97Å | 1.00Å | |
| N16 | H41 | sing | 0.97Å | 1.00Å | |
| N29 | H42 | sing | 0.97Å | 1.00Å | |
| O21 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C17 | 107.2° | 109.4° |
| O21 | C20 | H28 | 110.0° | 109.5° |
| O21 | C20 | H29 | 110.0° | 109.4° |
| C20 | O21 | H43 | 109.5° | 113.9° |
| C20 | C17 | C18 | 108.8° | 109.6° |
| C20 | C17 | N16 | 109.4° | 109.6° |
| C20 | C17 | H23 | 109.1° | 109.7° |
| C17 | C20 | H28 | 110.0° | 109.4° |
| C17 | C20 | H29 | 110.0° | 109.5° |
| O31 | C30 | C19 | 123.1° | 120.7° |
| O31 | C30 | N29 | 119.5° | 120.7° |
| C18 | C17 | N16 | 110.4° | 108.8° |
| C17 | C18 | C19 | 114.9° | 109.5° |
| C18 | C17 | H23 | 109.0° | 109.6° |
| C17 | C18 | H24 | 108.1° | 109.5° |
| C17 | C18 | H25 | 108.1° | 109.5° |
| C17 | N16 | C15 | 118.5° | 116.2° |
| N16 | C17 | H23 | 110.2° | 109.6° |
| C17 | N16 | H41 | 120.7° | 122.0° |
| C18 | C19 | C30 | 114.7° | 109.5° |
| C19 | C18 | H24 | 108.1° | 109.4° |
| C19 | C18 | H25 | 108.1° | 109.4° |
| C18 | C19 | H26 | 108.1° | 109.5° |
| C18 | C19 | H27 | 108.1° | 109.5° |
| C19 | C30 | N29 | 117.5° | 118.6° |
| C30 | C19 | H26 | 108.2° | 109.5° |
| C30 | C19 | H27 | 108.2° | 109.5° |
| C30 | N29 | C28 | 118.3° | 114.7° |
| C30 | N29 | H42 | 120.8° | 122.6° |
| N29 | C28 | C27 | 106.2° | 108.5° |
| N29 | C28 | H38 | 110.3° | 109.6° |
| N29 | C28 | H39 | 110.3° | 109.6° |
| C28 | N29 | H42 | 120.9° | 122.7° |
| C28 | C27 | C26 | 110.5° | 109.4° |
| C28 | C27 | H36 | 109.3° | 109.5° |
| C28 | C27 | H37 | 109.2° | 109.4° |
| C27 | C28 | H38 | 110.3° | 109.6° |
| C27 | C28 | H39 | 110.3° | 109.7° |
| N16 | C15 | O22 | 120.7° | 120.5° |
| N16 | C15 | C10 | 117.4° | 119.0° |
| C15 | N16 | H41 | 120.8° | 121.9° |
| O22 | C15 | C10 | 121.9° | 120.5° |
| C27 | C26 | C25 | 113.2° | 109.5° |
| C27 | C26 | H34 | 108.5° | 109.5° |
| C27 | C26 | H35 | 108.5° | 109.5° |
| C26 | C27 | H36 | 109.2° | 109.5° |
| C26 | C27 | H37 | 109.2° | 109.5° |
| C15 | C10 | C11 | 111.8° | 109.8° |
| C15 | C10 | N09 | 110.0° | 108.5° |
| C15 | C10 | H13 | 108.5° | 109.7° |
| C10 | C11 | C12 | 113.8° | 109.5° |
| C11 | C10 | N09 | 108.5° | 109.6° |
| C11 | C10 | H13 | 108.4° | 109.7° |
| C10 | C11 | H14 | 108.4° | 109.5° |
| C10 | C11 | H15 | 108.4° | 109.5° |
| C11 | C12 | C13 | 110.8° | 109.5° |
| C11 | C12 | C14 | 113.9° | 109.4° |
| C12 | C11 | H14 | 108.3° | 109.5° |
| C12 | C11 | H15 | 108.4° | 109.5° |
| C11 | C12 | H16 | 107.3° | 109.5° |
| C26 | C25 | C24 | 110.1° | 109.4° |
| C26 | C25 | H32 | 109.3° | 109.4° |
| C26 | C25 | H33 | 109.3° | 109.5° |
| C25 | C26 | H34 | 108.5° | 109.4° |
| C25 | C26 | H35 | 108.5° | 109.4° |
| C10 | N09 | C08 | 118.9° | 114.6° |
| N09 | C10 | H13 | 109.6° | 109.6° |
| C10 | N09 | H40 | 120.5° | 122.7° |
| C25 | C24 | C06 | 110.7° | 109.4° |
| C25 | C24 | H30 | 109.1° | 109.5° |
| C25 | C24 | H31 | 109.2° | 109.5° |
| C24 | C25 | H32 | 109.3° | 109.5° |
| C24 | C25 | H33 | 109.3° | 109.5° |
| C13 | C12 | C14 | 109.8° | 109.5° |
| C13 | C12 | H16 | 107.4° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| N09 | C08 | O23 | 123.3° | 120.9° |
| N09 | C08 | O07 | 114.2° | 118.4° |
| C08 | N09 | H40 | 120.6° | 122.7° |
| C14 | C12 | H16 | 107.4° | 109.5° |
| C12 | C14 | H20 | 109.5° | 109.5° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C12 | C14 | H22 | 109.4° | 109.4° |
| O23 | C08 | O07 | 122.6° | 120.8° |
| C08 | O07 | C06 | 117.9° | 117.0° |
| C24 | C06 | O07 | 106.5° | 109.4° |
| C24 | C06 | C05 | 112.4° | 109.5° |
| C24 | C06 | H12 | 110.1° | 109.5° |
| C06 | C24 | H30 | 109.2° | 109.5° |
| C06 | C24 | H31 | 109.1° | 109.5° |
| O07 | C06 | C05 | 105.6° | 109.4° |
| O07 | C06 | H12 | 112.0° | 109.5° |
| C06 | C05 | C04 | 110.4° | 109.5° |
| C06 | C05 | H10 | 109.2° | 109.5° |
| C06 | C05 | H11 | 109.2° | 109.5° |
| C05 | C06 | H12 | 110.2° | 109.5° |
| C05 | C04 | C03 | 110.3° | 109.5° |
| C05 | C04 | H8 | 109.2° | 109.4° |
| C05 | C04 | H9 | 109.3° | 109.4° |
| C04 | C05 | H10 | 109.2° | 109.5° |
| C04 | C05 | H11 | 109.3° | 109.5° |
| C04 | C03 | C02 | 113.0° | 109.4° |
| C04 | C03 | H6 | 108.6° | 109.5° |
| C04 | C03 | H7 | 108.6° | 109.5° |
| C03 | C04 | H8 | 109.2° | 109.5° |
| C03 | C04 | H9 | 109.3° | 109.5° |
| C01 | C02 | C03 | 111.6° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 109.0° | 109.4° |
| C01 | C02 | H5 | 108.9° | 109.4° |
| C03 | C02 | H4 | 108.9° | 109.5° |
| C03 | C02 | H5 | 109.0° | 109.5° |
| C02 | C03 | H6 | 108.6° | 109.4° |
| C02 | C03 | H7 | 108.6° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.6° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.4° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H19 | 109.4° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.4° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C17 | H28 | 119.6° | 120.0° |
| O21 | C20 | C17 | H29 | 119.6° | 120.0° |
| O21 | C20 | C17 | C18 | 175.1° | 175.0° |
| O21 | C20 | C17 | N16 | 64.2° | 65.7° |
| O21 | C20 | C17 | H23 | 56.4° | 54.6° |
| O21 | C20 | H28 | H29 | 121.0° | 120.0° |
| C20 | C17 | C18 | N16 | 120.1° | 119.8° |
| C20 | C17 | C18 | H23 | 118.8° | 120.4° |
| C20 | C17 | N16 | H23 | 119.9° | 120.4° |
| C20 | C17 | C18 | C19 | 175.6° | 117.1° |
| C20 | C17 | N16 | C15 | 136.4° | 113.5° |
| C20 | C17 | C18 | H24 | 63.6° | 123.0° |
| C20 | C17 | C18 | H25 | 54.9° | 2.9° |
| C17 | C20 | H28 | H29 | 121.0° | 120.0° |
| C20 | C17 | N16 | H41 | 43.6° | 66.5° |
| C17 | C20 | O21 | H43 | 180.0° | 180.0° |
| O31 | C30 | C19 | C18 | 0.4° | 11.0° |
| O31 | C30 | C19 | N29 | 179.7° | 179.9° |
| O31 | C30 | N29 | C28 | 1.5° | 0.1° |
| O31 | C30 | C19 | H26 | 120.4° | 109.0° |
| O31 | C30 | C19 | H27 | 121.2° | 131.0° |
| O31 | C30 | N29 | H42 | 178.5° | 179.9° |
| C18 | C17 | N16 | H23 | 120.4° | 119.8° |
| C17 | C18 | C19 | H24 | 120.8° | 120.0° |
| C17 | C18 | C19 | H25 | 120.8° | 120.0° |
| C17 | C18 | C19 | C30 | 69.5° | 124.3° |
| C18 | C17 | N16 | C15 | 103.9° | 126.7° |
| C17 | C18 | H24 | H25 | 117.5° | 120.1° |
| C17 | C18 | C19 | H26 | 51.3° | 115.6° |
| C17 | C18 | C19 | H27 | 169.8° | 4.3° |
| C18 | C17 | C20 | H28 | 65.2° | 55.0° |
| C18 | C17 | C20 | H29 | 55.5° | 65.0° |
| C18 | C17 | N16 | H41 | 76.1° | 53.3° |
| N16 | C17 | C18 | C19 | 64.3° | 123.2° |
| C17 | N16 | C15 | H41 | 180.0° | 180.0° |
| C17 | N16 | C15 | O22 | 1.8° | 0.1° |
| C17 | N16 | C15 | C10 | 179.0° | 179.9° |
| N16 | C17 | C18 | H24 | 56.5° | 3.2° |
| N16 | C17 | C18 | H25 | 174.9° | 116.8° |
| N16 | C17 | C20 | H28 | 55.4° | 174.3° |
| N16 | C17 | C20 | H29 | 176.2° | 54.2° |
| C18 | C19 | C30 | H26 | 120.7° | 120.0° |
| C18 | C19 | C30 | H27 | 120.8° | 120.0° |
| C18 | C19 | C30 | N29 | 179.3° | 168.9° |
| C19 | C18 | C17 | H23 | 56.8° | 3.4° |
| C19 | C18 | H24 | H25 | 117.5° | 120.0° |
| C18 | C19 | H26 | H27 | 117.6° | 120.0° |
| C19 | C30 | N29 | C28 | 178.8° | 179.9° |
| C30 | C19 | C18 | H24 | 169.8° | 4.4° |
| C30 | C19 | C18 | H25 | 51.3° | 115.6° |
| C30 | C19 | H26 | H27 | 117.6° | 120.0° |
| C19 | C30 | N29 | H42 | 1.2° | 0.1° |
| C30 | N29 | C28 | H42 | 180.0° | 180.0° |
| C30 | N29 | C28 | C27 | 96.8° | 86.2° |
| N29 | C30 | C19 | H26 | 59.9° | 71.1° |
| N29 | C30 | C19 | H27 | 58.5° | 48.9° |
| C30 | N29 | C28 | H38 | 143.7° | 154.1° |
| C30 | N29 | C28 | H39 | 22.7° | 33.5° |
| N29 | C28 | C27 | H38 | 119.5° | 119.7° |
| N29 | C28 | C27 | H39 | 119.5° | 119.7° |
| N29 | C28 | C27 | C26 | 64.1° | 61.8° |
| N29 | C28 | C27 | H36 | 175.7° | 58.2° |
| N29 | C28 | C27 | H37 | 56.0° | 178.2° |
| N29 | C28 | H38 | H39 | 121.5° | 120.4° |
| C28 | C27 | C26 | H36 | 120.2° | 120.0° |
| C28 | C27 | C26 | H37 | 120.1° | 119.9° |
| C28 | C27 | C26 | C25 | 157.6° | 149.5° |
| C28 | C27 | C26 | H34 | 37.1° | 29.5° |
| C28 | C27 | C26 | H35 | 81.8° | 90.5° |
| C28 | C27 | H36 | H37 | 119.5° | 120.0° |
| C27 | C28 | H38 | H39 | 121.5° | 120.5° |
| C27 | C28 | N29 | H42 | 83.2° | 93.8° |
| N16 | C15 | O22 | C10 | 179.1° | 180.0° |
| N16 | C15 | C10 | C11 | 87.3° | 96.4° |
| N16 | C15 | C10 | N09 | 152.1° | 143.8° |
| N16 | C15 | C10 | H13 | 32.3° | 24.1° |
| C15 | N16 | C17 | H23 | 16.5° | 6.9° |
| O22 | C15 | C10 | C11 | 91.9° | 83.6° |
| O22 | C15 | C10 | N09 | 28.7° | 36.2° |
| O22 | C15 | C10 | H13 | 148.6° | 155.9° |
| O22 | C15 | N16 | H41 | 178.2° | 179.9° |
| C27 | C26 | C25 | H34 | 120.5° | 120.1° |
| C27 | C26 | C25 | H35 | 120.5° | 120.0° |
| C27 | C26 | C25 | C24 | 169.4° | 81.9° |
| C27 | C26 | C25 | H32 | 70.5° | 38.0° |
| C27 | C26 | C25 | H33 | 49.3° | 158.0° |
| C27 | C26 | H34 | H35 | 118.3° | 120.1° |
| C26 | C27 | H36 | H37 | 119.5° | 120.0° |
| C26 | C27 | C28 | H38 | 55.4° | 178.5° |
| C26 | C27 | C28 | H39 | 176.4° | 57.9° |
| C15 | C10 | C11 | N09 | 121.5° | 119.1° |
| C15 | C10 | C11 | H13 | 119.6° | 120.6° |
| C15 | C10 | C11 | C12 | 170.8° | 176.0° |
| C15 | C10 | N09 | H13 | 119.2° | 119.7° |
| C15 | C10 | N09 | C08 | 59.6° | 86.9° |
| C15 | C10 | C11 | H14 | 68.6° | 64.1° |
| C15 | C10 | C11 | H15 | 50.1° | 55.9° |
| C15 | C10 | N09 | H40 | 120.4° | 93.1° |
| C10 | C15 | N16 | H41 | 1.0° | 0.1° |
| C10 | C11 | C12 | H14 | 120.6° | 120.0° |
| C10 | C11 | C12 | H15 | 120.7° | 120.0° |
| C11 | C10 | N09 | H13 | 118.2° | 120.4° |
| C10 | C11 | C12 | C13 | 175.4° | 175.0° |
| C11 | C10 | N09 | C08 | 177.8° | 153.2° |
| C10 | C11 | C12 | C14 | 60.3° | 65.0° |
| C10 | C11 | H14 | H15 | 118.0° | 120.0° |
| C10 | C11 | C12 | H16 | 58.5° | 55.0° |
| C11 | C10 | N09 | H40 | 2.2° | 26.8° |
| C12 | C11 | C10 | N09 | 67.7° | 65.0° |
| C11 | C12 | C13 | C14 | 126.6° | 119.9° |
| C11 | C12 | C13 | H16 | 116.9° | 120.0° |
| C11 | C12 | C14 | H16 | 118.7° | 120.0° |
| C12 | C11 | C10 | H13 | 51.2° | 55.4° |
| C12 | C11 | H14 | H15 | 118.0° | 120.0° |
| C11 | C12 | C13 | H17 | 180.0° | 59.9° |
| C11 | C12 | C13 | H18 | 60.0° | 180.0° |
| C11 | C12 | C13 | H19 | 60.0° | 60.0° |
| C11 | C12 | C14 | H20 | 180.0° | 60.0° |
| C11 | C12 | C14 | H21 | 60.0° | 60.1° |
| C11 | C12 | C14 | H22 | 60.0° | 180.0° |
| C26 | C25 | C24 | H32 | 120.1° | 119.9° |
| C26 | C25 | C24 | H33 | 120.1° | 120.0° |
| C26 | C25 | C24 | C06 | 76.3° | 131.8° |
| C26 | C25 | C24 | H30 | 43.9° | 11.8° |
| C26 | C25 | C24 | H31 | 163.5° | 108.2° |
| C26 | C25 | H32 | H33 | 119.7° | 120.0° |
| C25 | C26 | H34 | H35 | 118.3° | 119.9° |
| C25 | C26 | C27 | H36 | 82.2° | 90.5° |
| C25 | C26 | C27 | H37 | 37.5° | 29.6° |
| C10 | N09 | C08 | H40 | 180.0° | 180.0° |
| C10 | N09 | C08 | O23 | 2.1° | 0.1° |
| C10 | N09 | C08 | O07 | 178.7° | 179.8° |
| N09 | C10 | C11 | H14 | 52.9° | 55.0° |
| N09 | C10 | C11 | H15 | 171.6° | 175.0° |
| C25 | C24 | C06 | H30 | 120.2° | 120.0° |
| C25 | C24 | C06 | H31 | 120.2° | 120.0° |
| C25 | C24 | C06 | O07 | 66.7° | 108.3° |
| C25 | C24 | C06 | C05 | 178.1° | 131.8° |
| C25 | C24 | C06 | H12 | 54.9° | 11.8° |
| C25 | C24 | H30 | H31 | 119.4° | 120.0° |
| C24 | C25 | H32 | H33 | 119.7° | 120.1° |
| C24 | C25 | C26 | H34 | 48.8° | 158.0° |
| C24 | C25 | C26 | H35 | 70.1° | 38.1° |
| C13 | C12 | C14 | H16 | 116.4° | 120.0° |
| C13 | C12 | C11 | H14 | 54.8° | 55.0° |
| C13 | C12 | C11 | H15 | 63.9° | 65.0° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H19 | 120.0° | 120.0° |
| C12 | C13 | H18 | H19 | 120.0° | 120.0° |
| C13 | C12 | C14 | H20 | 55.1° | 60.0° |
| C13 | C12 | C14 | H21 | 64.9° | 180.0° |
| C13 | C12 | C14 | H22 | 175.1° | 60.1° |
| N09 | C08 | O23 | O07 | 179.2° | 179.9° |
| N09 | C08 | O07 | C06 | 172.2° | 179.6° |
| C08 | N09 | C10 | H13 | 59.5° | 32.8° |
| C14 | C12 | C11 | H14 | 179.1° | 175.0° |
| C14 | C12 | C11 | H15 | 60.4° | 55.0° |
| C14 | C12 | C13 | H17 | 53.3° | 60.0° |
| C14 | C12 | C13 | H18 | 173.4° | 60.0° |
| C14 | C12 | C13 | H19 | 66.6° | 180.0° |
| C12 | C14 | H20 | H21 | 120.0° | 120.1° |
| C12 | C14 | H20 | H22 | 120.0° | 120.0° |
| C12 | C14 | H21 | H22 | 120.0° | 119.9° |
| O23 | C08 | O07 | C06 | 8.5° | 0.5° |
| O23 | C08 | N09 | H40 | 177.9° | 179.9° |
| C08 | O07 | C06 | C24 | 128.4° | 77.8° |
| C08 | O07 | C06 | C05 | 111.9° | 162.2° |
| C08 | O07 | C06 | H12 | 8.0° | 42.2° |
| O07 | C08 | N09 | H40 | 1.3° | 0.2° |
| C24 | C06 | O07 | C05 | 119.7° | 120.0° |
| C24 | C06 | O07 | H12 | 120.4° | 120.0° |
| C24 | C06 | C05 | H12 | 123.2° | 120.0° |
| C24 | C06 | C05 | C04 | 172.1° | 175.0° |
| C24 | C06 | C05 | H10 | 52.0° | 64.9° |
| C24 | C06 | C05 | H11 | 67.7° | 55.0° |
| C06 | C24 | H30 | H31 | 119.4° | 120.0° |
| C06 | C24 | C25 | H32 | 163.6° | 108.3° |
| C06 | C24 | C25 | H33 | 43.8° | 11.8° |
| O07 | C06 | C05 | H12 | 121.1° | 120.0° |
| O07 | C06 | C05 | C04 | 72.2° | 65.0° |
| O07 | C06 | C05 | H10 | 167.7° | 55.0° |
| O07 | C06 | C05 | H11 | 48.0° | 175.0° |
| O07 | C06 | C24 | H30 | 173.1° | 11.8° |
| O07 | C06 | C24 | H31 | 53.5° | 131.8° |
| C06 | C05 | C04 | H10 | 120.1° | 120.1° |
| C06 | C05 | C04 | H11 | 120.1° | 120.0° |
| C06 | C05 | C04 | C03 | 155.9° | 179.9° |
| C06 | C05 | C04 | H8 | 84.0° | 60.0° |
| C06 | C05 | C04 | H9 | 35.7° | 60.0° |
| C06 | C05 | H10 | H11 | 119.6° | 120.0° |
| C05 | C06 | C24 | H30 | 58.0° | 108.2° |
| C05 | C06 | C24 | H31 | 61.7° | 11.8° |
| C05 | C04 | C03 | H8 | 120.1° | 120.0° |
| C05 | C04 | C03 | H9 | 120.1° | 120.0° |
| C05 | C04 | C03 | C02 | 177.0° | 180.0° |
| C05 | C04 | C03 | H6 | 56.5° | 60.0° |
| C05 | C04 | C03 | H7 | 62.5° | 60.0° |
| C05 | C04 | H8 | H9 | 119.6° | 119.9° |
| C04 | C05 | H10 | H11 | 119.6° | 119.9° |
| C04 | C05 | C06 | H12 | 48.9° | 55.0° |
| C04 | C03 | C02 | C01 | 89.3° | 180.0° |
| C04 | C03 | C02 | H6 | 120.5° | 119.9° |
| C04 | C03 | C02 | H7 | 120.5° | 120.0° |
| C04 | C03 | C02 | H4 | 31.0° | 60.1° |
| C04 | C03 | C02 | H5 | 150.4° | 60.0° |
| C04 | C03 | H6 | H7 | 118.4° | 120.0° |
| C03 | C04 | H8 | H9 | 119.6° | 120.1° |
| C03 | C04 | C05 | H10 | 35.7° | 60.0° |
| C03 | C04 | C05 | H11 | 84.0° | 59.9° |
| C01 | C02 | C03 | H4 | 120.3° | 119.9° |
| C01 | C02 | C03 | H5 | 120.3° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | H4 | H5 | 119.0° | 119.9° |
| C01 | C02 | C03 | H6 | 31.2° | 60.0° |
| C01 | C02 | C03 | H7 | 150.2° | 60.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 59.9° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 119.0° | 120.1° |
| C02 | C03 | H6 | H7 | 118.4° | 120.0° |
| C02 | C03 | C04 | H8 | 62.9° | 60.1° |
| C02 | C03 | C04 | H9 | 56.8° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 59.7° | 60.0° |
| H1 | C01 | C02 | H5 | 59.7° | 60.0° |
| H2 | C01 | C02 | H4 | 60.3° | 60.0° |
| H2 | C01 | C02 | H5 | 179.6° | 180.0° |
| H3 | C01 | C02 | H4 | 179.7° | 179.9° |
| H3 | C01 | C02 | H5 | 60.4° | 60.1° |
| H4 | C02 | C03 | H6 | 151.6° | 180.0° |
| H4 | C02 | C03 | H7 | 89.5° | 59.9° |
| H5 | C02 | C03 | H6 | 89.1° | 60.0° |
| H5 | C02 | C03 | H7 | 29.9° | 180.0° |
| H6 | C03 | C04 | H8 | 176.6° | NaN° |
| H6 | C03 | C04 | H9 | 63.7° | 60.0° |
| H7 | C03 | C04 | H8 | 57.6° | 60.0° |
| H7 | C03 | C04 | H9 | 177.3° | 180.0° |
| H8 | C04 | C05 | H10 | 155.8° | 180.0° |
| H8 | C04 | C05 | H11 | 36.1° | 60.0° |
| H9 | C04 | C05 | H10 | 84.4° | 60.1° |
| H9 | C04 | C05 | H11 | 155.9° | 180.0° |
| H10 | C05 | C06 | H12 | 71.2° | 175.0° |
| H11 | C05 | C06 | H12 | 169.1° | 65.0° |
| H12 | C06 | C24 | H30 | 65.3° | 131.8° |
| H12 | C06 | C24 | H31 | 175.1° | 108.2° |
| H13 | C10 | C11 | H14 | 171.8° | 175.4° |
| H13 | C10 | C11 | H15 | 69.4° | 64.6° |
| H13 | C10 | N09 | H40 | 120.5° | 147.2° |
| H14 | C11 | C12 | H16 | 62.1° | 65.0° |
| H15 | C11 | C12 | H16 | 179.1° | 175.0° |
| H16 | C12 | C13 | H17 | 63.1° | 180.0° |
| H16 | C12 | C13 | H18 | 56.9° | 60.0° |
| H16 | C12 | C13 | H19 | 176.9° | 60.0° |
| H16 | C12 | C14 | H20 | 61.3° | 180.0° |
| H16 | C12 | C14 | H21 | 178.7° | 59.9° |
| H16 | C12 | C14 | H22 | 58.7° | 60.0° |
| H17 | C13 | H18 | H19 | 120.0° | 119.9° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| H23 | C17 | C18 | H24 | 177.6° | 116.6° |
| H23 | C17 | C18 | H25 | 63.9° | 123.3° |
| H23 | C17 | C20 | H28 | 176.0° | 65.3° |
| H23 | C17 | C20 | H29 | 63.2° | 174.6° |
| H23 | C17 | N16 | H41 | 163.5° | 173.1° |
| H24 | C18 | C19 | H26 | 69.5° | 124.4° |
| H24 | C18 | C19 | H27 | 49.0° | 115.6° |
| H25 | C18 | C19 | H26 | 172.1° | 4.4° |
| H25 | C18 | C19 | H27 | 69.4° | 124.4° |
| H28 | C20 | O21 | H43 | 60.4° | 60.1° |
| H29 | C20 | O21 | H43 | 60.4° | 60.0° |
| H30 | C24 | C25 | H32 | 76.2° | 131.8° |
| H30 | C24 | C25 | H33 | 164.0° | 108.2° |
| H31 | C24 | C25 | H32 | 43.4° | 11.7° |
| H31 | C24 | C25 | H33 | 76.4° | 131.8° |
| H32 | C25 | C26 | H34 | 168.9° | 82.0° |
| H32 | C25 | C26 | H35 | 50.0° | 158.1° |
| H33 | C25 | C26 | H34 | 71.3° | 38.0° |
| H33 | C25 | C26 | H35 | 169.8° | 81.9° |
| H34 | C26 | C27 | H36 | 157.3° | 149.5° |
| H34 | C26 | C27 | H37 | 83.0° | 90.4° |
| H35 | C26 | C27 | H36 | 38.3° | 29.5° |
| H35 | C26 | C27 | H37 | 158.0° | 149.5° |
| H36 | C27 | C28 | H38 | 64.8° | 61.5° |
| H36 | C27 | C28 | H39 | 56.2° | 177.9° |
| H37 | C27 | C28 | H38 | 175.5° | 58.5° |
| H37 | C27 | C28 | H39 | 63.5° | 62.1° |
| H38 | C28 | N29 | H42 | 36.3° | 25.9° |
| H39 | C28 | N29 | H42 | 157.3° | 146.5° |
