LIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.32Å | |
| N1 | C2 | sing | 1.40Å | 1.39Å | |
| N1 | C3 | sing | 1.39Å | 1.40Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | N5 | sing | 1.47Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | O30 | sing | 1.36Å | 1.37Å | |
| C22 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| CL16 | C12 | sing | 1.74Å | 1.79Å | |
| C12 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N5 | C1 | sing | 1.35Å | 1.32Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C1 | O4 | doub | 1.22Å | 1.21Å | |
| C2 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | N42 | doub | 1.33Å | 1.35Å | Aromatic |
| C35 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | N39 | sing | 1.32Å | 1.33Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| N39 | C41 | doub | 1.32Å | 1.34Å | Aromatic |
| C41 | N42 | sing | 1.32Å | 1.35Å | Aromatic |
| C41 | N36 | sing | 1.38Å | 1.35Å | |
| N36 | C43 | sing | 1.47Å | 1.46Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | C47 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C47 | C53 | sing | 1.53Å | 1.52Å | |
| C47 | O52 | sing | 1.43Å | 1.42Å | |
| C47 | C51 | sing | 1.53Å | 1.52Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H513 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 117.6° | 120.0° |
| C1 | N1 | C3 | 126.1° | 120.0° |
| N1 | C1 | N5 | 121.9° | 120.0° |
| N1 | C1 | O4 | 116.7° | 120.0° |
| C2 | N1 | C3 | 116.2° | 120.0° |
| N1 | C2 | C22 | 116.6° | 120.0° |
| N1 | C2 | C23 | 120.8° | 120.0° |
| N1 | C3 | C35 | 117.9° | 120.5° |
| N1 | C3 | N42 | 123.5° | 120.5° |
| C9 | C7 | N5 | 107.8° | 109.5° |
| C9 | C7 | H71 | 110.0° | 109.5° |
| C9 | C7 | H72 | 110.4° | 109.5° |
| C7 | C9 | C13 | 119.8° | 120.0° |
| C7 | C9 | C12 | 120.5° | 120.0° |
| N5 | C7 | H71 | 110.0° | 109.5° |
| N5 | C7 | H72 | 110.4° | 109.4° |
| C7 | N5 | C1 | 122.5° | 120.0° |
| C7 | N5 | HN5 | 118.7° | 120.0° |
| H71 | C7 | H72 | 108.2° | 109.4° |
| C14 | C13 | C9 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C11 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C9 | C13 | H13 | 120.0° | 120.0° |
| C13 | C9 | C12 | 119.7° | 120.0° |
| C12 | C15 | C11 | 120.2° | 119.9° |
| C12 | C15 | H15 | 119.9° | 120.0° |
| C15 | C12 | CL16 | 118.4° | 120.0° |
| C15 | C12 | C9 | 120.2° | 120.0° |
| C11 | C15 | H15 | 119.9° | 120.1° |
| C15 | C11 | C14 | 119.3° | 120.1° |
| C15 | C11 | H11 | 120.3° | 120.0° |
| C24 | C21 | C25 | 121.4° | 120.1° |
| C24 | C21 | O30 | 122.6° | 120.0° |
| C21 | C24 | C23 | 119.9° | 120.0° |
| C21 | C24 | H24 | 120.0° | 120.0° |
| C25 | C21 | O30 | 115.9° | 120.0° |
| C21 | C25 | C22 | 119.0° | 120.0° |
| C21 | C25 | H25 | 120.5° | 120.0° |
| C21 | O30 | C31 | 116.7° | 106.8° |
| C2 | C22 | C25 | 119.3° | 120.0° |
| C2 | C22 | H22 | 120.4° | 120.0° |
| C22 | C2 | C23 | 122.5° | 119.9° |
| C25 | C22 | H22 | 120.3° | 120.0° |
| C22 | C25 | H25 | 120.5° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C24 | C23 | C2 | 117.8° | 120.0° |
| C24 | C23 | H23 | 121.1° | 120.0° |
| CL16 | C12 | C9 | 121.5° | 120.0° |
| C14 | C11 | H11 | 120.3° | 120.0° |
| C11 | C14 | H14 | 119.7° | 120.0° |
| C1 | N5 | HN5 | 118.7° | 120.0° |
| N5 | C1 | O4 | 121.4° | 120.0° |
| C2 | C23 | H23 | 121.1° | 120.0° |
| O30 | C31 | H311 | 109.5° | 109.4° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| C35 | C3 | N42 | 118.6° | 119.0° |
| C3 | C35 | C37 | 119.1° | 118.5° |
| C3 | C35 | H35 | 120.4° | 120.7° |
| C3 | N42 | C41 | 121.7° | 120.6° |
| C37 | C35 | H35 | 120.4° | 120.8° |
| C35 | C37 | N39 | 119.1° | 119.3° |
| C35 | C37 | H37 | 120.4° | 120.4° |
| N39 | C37 | H37 | 120.4° | 120.4° |
| C37 | N39 | C41 | 122.1° | 120.9° |
| N39 | C41 | N42 | 119.4° | 121.6° |
| N39 | C41 | N36 | 116.9° | 119.2° |
| N42 | C41 | N36 | 123.7° | 119.2° |
| C41 | N36 | C43 | 119.9° | 120.0° |
| C41 | N36 | HN36 | 106.1° | 120.0° |
| C43 | N36 | HN36 | 106.1° | 120.0° |
| N36 | C43 | C45 | 108.2° | 109.4° |
| N36 | C43 | C47 | 111.5° | 109.5° |
| N36 | C43 | H43 | 110.2° | 109.5° |
| C45 | C43 | C47 | 112.9° | 109.4° |
| C45 | C43 | H43 | 108.7° | 109.5° |
| C43 | C45 | H451 | 109.5° | 109.6° |
| C43 | C45 | H452 | 109.4° | 109.4° |
| C43 | C45 | H453 | 109.5° | 109.5° |
| C47 | C43 | H43 | 105.3° | 109.5° |
| C43 | C47 | C53 | 110.8° | 109.4° |
| C43 | C47 | O52 | 108.3° | 109.5° |
| C43 | C47 | C51 | 114.9° | 109.5° |
| H451 | C45 | H452 | 109.4° | 109.4° |
| H451 | C45 | H453 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.4° |
| C53 | C47 | O52 | 108.2° | 109.5° |
| C53 | C47 | C51 | 109.3° | 109.5° |
| C47 | C53 | H531 | 109.5° | 109.5° |
| C47 | C53 | H532 | 109.5° | 109.5° |
| C47 | C53 | H533 | 109.5° | 109.5° |
| O52 | C47 | C51 | 105.1° | 109.5° |
| C47 | O52 | HO52 | 109.5° | 106.8° |
| C47 | C51 | H511 | 109.5° | 109.5° |
| C47 | C51 | H512 | 109.5° | 109.4° |
| C47 | C51 | H513 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.4° | 109.5° |
| H532 | C53 | H533 | 109.5° | 109.4° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H511 | C51 | H513 | 109.4° | 109.5° |
| H512 | C51 | H513 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C3 | 176.0° | 180.0° |
| N1 | C1 | N5 | C7 | 159.1° | 176.0° |
| C1 | N1 | C2 | C22 | 110.2° | 69.2° |
| N1 | C1 | N5 | O4 | 179.1° | 179.9° |
| N1 | C1 | N5 | HN5 | 20.9° | 3.9° |
| C1 | N1 | C2 | C23 | 72.0° | 110.9° |
| C1 | N1 | C3 | C35 | 160.2° | 170.0° |
| C1 | N1 | C3 | N42 | 16.8° | 9.7° |
| N1 | C2 | C22 | C23 | 177.8° | 179.9° |
| N1 | C2 | C22 | C25 | 176.1° | 180.0° |
| N1 | C2 | C22 | H22 | 3.9° | 0.0° |
| N1 | C2 | C23 | C24 | 177.6° | 179.8° |
| C2 | N1 | C1 | N5 | 174.6° | 4.5° |
| C2 | N1 | C1 | O4 | 4.5° | 175.5° |
| N1 | C2 | C23 | H23 | 2.5° | 0.1° |
| C2 | N1 | C3 | C35 | 15.5° | 10.0° |
| C2 | N1 | C3 | N42 | 167.5° | 170.3° |
| C3 | N1 | C2 | C22 | 73.8° | 110.8° |
| C3 | N1 | C1 | N5 | 9.8° | 175.5° |
| C3 | N1 | C1 | O4 | 171.1° | 4.6° |
| C3 | N1 | C2 | C23 | 104.0° | 69.1° |
| N1 | C3 | C35 | N42 | 177.1° | 179.7° |
| N1 | C3 | C35 | C37 | 179.0° | 180.0° |
| N1 | C3 | C35 | H35 | 1.0° | 0.0° |
| N1 | C3 | N42 | C41 | 177.8° | 179.7° |
| C9 | C7 | N5 | H71 | 120.0° | 120.0° |
| C9 | C7 | N5 | H72 | 120.6° | 120.0° |
| C9 | C7 | H71 | H72 | 120.7° | 120.1° |
| C7 | C9 | C13 | C14 | 179.9° | 180.0° |
| C7 | C9 | C13 | C12 | 178.9° | 179.6° |
| C7 | C9 | C13 | H13 | 0.1° | 0.1° |
| C7 | C9 | C12 | C15 | 179.6° | 179.7° |
| C7 | C9 | C12 | CL16 | 0.2° | 0.3° |
| C9 | C7 | N5 | C1 | 84.1° | 180.0° |
| C9 | C7 | N5 | HN5 | 95.9° | 0.1° |
| N5 | C7 | H71 | H72 | 120.7° | 119.9° |
| N5 | C7 | C9 | C13 | 113.6° | 105.1° |
| N5 | C7 | C9 | C12 | 65.2° | 75.3° |
| C7 | N5 | C1 | HN5 | 180.0° | 179.9° |
| C7 | N5 | C1 | O4 | 21.7° | 4.1° |
| H71 | C7 | C9 | C13 | 126.3° | 15.0° |
| H71 | C7 | C9 | C12 | 54.8° | 164.7° |
| H71 | C7 | N5 | C1 | 155.9° | 59.9° |
| H71 | C7 | N5 | HN5 | 24.1° | 120.0° |
| H72 | C7 | C9 | C13 | 7.0° | 135.0° |
| H72 | C7 | C9 | C12 | 174.1° | 44.7° |
| H72 | C7 | N5 | C1 | 36.6° | 60.0° |
| H72 | C7 | N5 | HN5 | 143.4° | 120.1° |
| C14 | C13 | C9 | H13 | 180.0° | 179.9° |
| C13 | C14 | C11 | C15 | 1.6° | 0.1° |
| C14 | C13 | C9 | C12 | 1.2° | 0.4° |
| C13 | C14 | C11 | H14 | 180.0° | 180.0° |
| C13 | C14 | C11 | H11 | 178.4° | 180.0° |
| C13 | C9 | C12 | C15 | 0.7° | 0.7° |
| C13 | C9 | C12 | CL16 | 179.1° | 179.9° |
| C9 | C13 | C14 | C11 | 0.1° | 0.1° |
| C9 | C13 | C14 | H14 | 179.9° | 179.9° |
| H13 | C13 | C9 | C12 | 178.8° | 179.7° |
| H13 | C13 | C14 | C11 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.1° |
| C12 | C15 | C11 | H15 | 180.0° | 179.7° |
| C15 | C12 | CL16 | C9 | 179.8° | 179.4° |
| C12 | C15 | C11 | C14 | 2.1° | 0.3° |
| C12 | C15 | C11 | H11 | 177.9° | 179.8° |
| C11 | C15 | C12 | CL16 | 179.3° | 180.0° |
| C11 | C15 | C12 | C9 | 1.0° | 0.6° |
| C15 | C11 | C14 | H11 | 180.0° | 179.9° |
| C15 | C11 | C14 | H14 | 178.4° | 180.0° |
| H15 | C15 | C12 | CL16 | 0.8° | 0.2° |
| H15 | C15 | C12 | C9 | 179.0° | 179.6° |
| H15 | C15 | C11 | C14 | 177.9° | 179.9° |
| H15 | C15 | C11 | H11 | 2.1° | 0.0° |
| C24 | C21 | C25 | O30 | 178.6° | 179.8° |
| C24 | C21 | C25 | C22 | 2.2° | 0.3° |
| C21 | C24 | C23 | H24 | 180.0° | 179.5° |
| C21 | C24 | C23 | C2 | 0.4° | 0.5° |
| C24 | C21 | C25 | H25 | 177.7° | 179.7° |
| C24 | C21 | O30 | C31 | 50.4° | 0.2° |
| C21 | C24 | C23 | H23 | 179.7° | 179.8° |
| C21 | C25 | C22 | C2 | 2.7° | 0.0° |
| C21 | C25 | C22 | H25 | 180.0° | 180.0° |
| C21 | C25 | C22 | H22 | 177.4° | 180.0° |
| C25 | C21 | C24 | C23 | 0.7° | 0.5° |
| C25 | C21 | C24 | H24 | 179.3° | 180.0° |
| C25 | C21 | O30 | C31 | 128.2° | 180.0° |
| O30 | C21 | C25 | C22 | 179.2° | 179.9° |
| O30 | C21 | C24 | C23 | 179.2° | 179.7° |
| O30 | C21 | C24 | H24 | 0.8° | 0.2° |
| O30 | C21 | C25 | H25 | 0.8° | 0.1° |
| C21 | O30 | C31 | H311 | 55.9° | 60.0° |
| C21 | O30 | C31 | H312 | 175.9° | 180.0° |
| C21 | O30 | C31 | H313 | 64.1° | 60.0° |
| C2 | C22 | C25 | H22 | 180.0° | 180.0° |
| C22 | C2 | C23 | C24 | 0.1° | 0.3° |
| C2 | C22 | C25 | H25 | 177.3° | 179.9° |
| C22 | C2 | C23 | H23 | 179.9° | 180.0° |
| C25 | C22 | C2 | C23 | 1.6° | 0.1° |
| H22 | C22 | C2 | C23 | 178.4° | 179.9° |
| H22 | C22 | C25 | H25 | 2.6° | 0.0° |
| C24 | C23 | C2 | H23 | 180.0° | 179.7° |
| H24 | C24 | C23 | C2 | 179.6° | 179.9° |
| H24 | C24 | C23 | H23 | 0.4° | 0.2° |
| H11 | C11 | C14 | H14 | 1.6° | 0.1° |
| HN5 | N5 | C1 | O4 | 158.3° | 176.0° |
| O30 | C31 | H311 | H312 | 120.0° | 120.0° |
| O30 | C31 | H311 | H313 | 120.0° | 120.0° |
| O30 | C31 | H312 | H313 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| C3 | C35 | C37 | H35 | 180.0° | 179.9° |
| C3 | C35 | C37 | N39 | 1.2° | 0.1° |
| C3 | C35 | C37 | H37 | 178.7° | 180.0° |
| C35 | C3 | N42 | C41 | 0.8° | 0.6° |
| N42 | C3 | C35 | C37 | 1.9° | 0.3° |
| N42 | C3 | C35 | H35 | 178.1° | 179.7° |
| C3 | N42 | C41 | N39 | 0.8° | 0.6° |
| C3 | N42 | C41 | N36 | 178.5° | 179.7° |
| C35 | C37 | N39 | H37 | 180.0° | 180.0° |
| C35 | C37 | N39 | C41 | 0.5° | 0.1° |
| H35 | C35 | C37 | N39 | 178.8° | 180.0° |
| H35 | C35 | C37 | H37 | 1.3° | 0.0° |
| C37 | N39 | C41 | N42 | 1.5° | 0.3° |
| C37 | N39 | C41 | N36 | 177.9° | 180.0° |
| H37 | C37 | N39 | C41 | 179.5° | 180.0° |
| N39 | C41 | N42 | N36 | 179.4° | 179.7° |
| N39 | C41 | N36 | C43 | 177.9° | 0.1° |
| N39 | C41 | N36 | HN36 | 57.8° | 180.0° |
| N42 | C41 | N36 | C43 | 2.7° | 179.7° |
| N42 | C41 | N36 | HN36 | 122.8° | 0.3° |
| C41 | N36 | C43 | HN36 | 120.0° | 179.9° |
| C41 | N36 | C43 | C45 | 136.6° | 85.1° |
| C41 | N36 | C43 | C47 | 98.7° | 155.0° |
| C41 | N36 | C43 | H43 | 17.8° | 34.9° |
| N36 | C43 | C45 | C47 | 123.9° | 119.9° |
| N36 | C43 | C45 | H43 | 119.7° | 120.0° |
| N36 | C43 | C47 | H43 | 119.5° | 120.0° |
| N36 | C43 | C45 | H451 | 69.9° | 60.0° |
| N36 | C43 | C45 | H452 | 50.1° | 180.0° |
| N36 | C43 | C45 | H453 | 170.1° | 60.1° |
| N36 | C43 | C47 | C53 | 179.0° | 60.1° |
| N36 | C43 | C47 | O52 | 60.6° | 59.9° |
| N36 | C43 | C47 | C51 | 56.6° | 180.0° |
| HN36 | N36 | C43 | C45 | 16.6° | 95.0° |
| HN36 | N36 | C43 | C47 | 141.3° | 24.9° |
| HN36 | N36 | C43 | H43 | 102.2° | 145.0° |
| C45 | C43 | C47 | H43 | 118.5° | 120.1° |
| C43 | C45 | H451 | H452 | 120.0° | 120.0° |
| C43 | C45 | H451 | H453 | 120.0° | 120.1° |
| C43 | C45 | H452 | H453 | 120.0° | 120.0° |
| C45 | C43 | C47 | C53 | 56.9° | 180.0° |
| C45 | C43 | C47 | O52 | 61.5° | 60.0° |
| C45 | C43 | C47 | C51 | 178.7° | 60.1° |
| C47 | C43 | C45 | H451 | 166.2° | 59.9° |
| C47 | C43 | C45 | H452 | 73.8° | 60.1° |
| C47 | C43 | C45 | H453 | 46.2° | 180.0° |
| C43 | C47 | C53 | O52 | 118.5° | 120.0° |
| C43 | C47 | C53 | C51 | 127.5° | 119.9° |
| C43 | C47 | O52 | C51 | 123.3° | 120.0° |
| C43 | C47 | C53 | H531 | 96.6° | 60.0° |
| C43 | C47 | C53 | H532 | 23.4° | 180.0° |
| C43 | C47 | C53 | H533 | 143.4° | 60.1° |
| C43 | C47 | O52 | HO52 | 105.7° | 180.0° |
| C43 | C47 | C51 | H511 | 166.3° | 60.0° |
| C43 | C47 | C51 | H512 | 46.2° | 179.9° |
| C43 | C47 | C51 | H513 | 73.8° | 60.0° |
| H43 | C43 | C45 | H451 | 49.8° | 180.0° |
| H43 | C43 | C45 | H452 | 169.8° | 60.0° |
| H43 | C43 | C45 | H453 | 70.2° | 59.9° |
| H43 | C43 | C47 | C53 | 61.5° | 60.0° |
| H43 | C43 | C47 | O52 | 180.0° | 180.0° |
| H43 | C43 | C47 | C51 | 62.9° | 60.0° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| C53 | C47 | O52 | C51 | 116.6° | 120.0° |
| C47 | C53 | H531 | H532 | 120.0° | 120.0° |
| C47 | C53 | H531 | H533 | 120.0° | 120.1° |
| C47 | C53 | H532 | H533 | 120.0° | 120.0° |
| C53 | C47 | O52 | HO52 | 14.4° | 60.0° |
| C53 | C47 | C51 | H511 | 68.6° | 180.0° |
| C53 | C47 | C51 | H512 | 171.4° | 60.0° |
| C53 | C47 | C51 | H513 | 51.4° | 60.0° |
| O52 | C47 | C53 | H531 | 144.8° | 180.0° |
| O52 | C47 | C53 | H532 | 95.2° | 59.9° |
| O52 | C47 | C53 | H533 | 24.9° | 60.0° |
| O52 | C47 | C51 | H511 | 47.3° | 60.0° |
| O52 | C47 | C51 | H512 | 72.7° | 60.0° |
| O52 | C47 | C51 | H513 | 167.3° | 180.0° |
| C51 | C47 | C53 | H531 | 30.9° | 60.0° |
| C51 | C47 | C53 | H532 | 150.9° | 60.1° |
| C51 | C47 | C53 | H533 | 89.1° | 180.0° |
| C51 | C47 | O52 | HO52 | 131.1° | 60.0° |
| C47 | C51 | H511 | H512 | 120.0° | 120.0° |
| C47 | C51 | H511 | H513 | 120.0° | 120.0° |
| C47 | C51 | H512 | H513 | 120.0° | 120.0° |
| H531 | C53 | H532 | H533 | 120.0° | 120.0° |
| H511 | C51 | H512 | H513 | 120.0° | 120.0° |
