CG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C31 | sing | 1.35Å | 1.29Å | |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.36Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.48Å | 1.47Å | |
| N26 | C27 | doub | 1.31Å | 1.33Å | Aromatic |
| N26 | O25 | sing | 1.21Å | 1.28Å | Aromatic |
| C27 | C23 | sing | 1.47Å | 1.38Å | Aromatic |
| O25 | C24 | sing | 1.34Å | 1.30Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.45Å | Aromatic |
| C23 | C21 | sing | 1.48Å | 1.48Å | |
| C20 | C21 | doub | 1.40Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C35 | sing | 1.51Å | 1.47Å | |
| C21 | C22 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.27Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.50Å | |
| C35 | C37 | sing | 1.53Å | 1.49Å | |
| C22 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| N18 | C17 | sing | 1.33Å | 1.29Å | Aromatic |
| C17 | N16 | sing | 1.39Å | 1.33Å | |
| N16 | C14 | sing | 1.35Å | 1.34Å | |
| O15 | C14 | doub | 1.22Å | 1.18Å | |
| C14 | C13 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | N09 | sing | 1.37Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.36Å | Aromatic |
| N09 | C08 | sing | 1.46Å | 1.42Å | |
| N09 | C10 | sing | 1.35Å | 1.29Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | doub | 1.36Å | 1.43Å | Aromatic |
| C11 | C38 | sing | 1.48Å | 1.46Å | |
| O06 | C05 | sing | 1.43Å | 1.38Å | |
| C10 | C1 | sing | 1.51Å | 1.47Å | |
| C07 | C05 | sing | 1.56Å | 1.52Å | |
| C07 | N01 | sing | 1.48Å | 1.45Å | |
| C05 | C03 | sing | 1.54Å | 1.50Å | |
| C45 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.36Å | Aromatic |
| N01 | C1 | sing | 1.45Å | 1.42Å | |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| C44 | C41 | doub | 1.39Å | 1.36Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | O04 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.55Å | 1.50Å | |
| C41 | C40 | sing | 1.39Å | 1.36Å | Aromatic |
| C41 | O42 | sing | 1.36Å | 1.32Å | |
| O42 | C43 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C31 | C30 | 118.5° | 119.9° |
| F32 | C31 | C33 | 120.7° | 119.9° |
| C31 | C30 | C29 | 119.3° | 120.1° |
| C30 | C31 | C33 | 120.8° | 120.2° |
| C31 | C30 | H301 | 120.3° | 120.0° |
| C30 | C29 | C28 | 120.7° | 119.9° |
| C30 | C29 | H291 | 119.6° | 120.0° |
| C29 | C30 | H301 | 120.4° | 120.0° |
| C31 | C33 | C34 | 118.9° | 120.1° |
| C31 | C33 | H331 | 120.6° | 120.0° |
| C29 | C28 | C34 | 119.2° | 119.8° |
| C29 | C28 | C27 | 122.5° | 120.1° |
| C28 | C29 | H291 | 119.7° | 120.1° |
| C33 | C34 | C28 | 121.0° | 119.9° |
| C34 | C33 | H331 | 120.5° | 119.9° |
| C33 | C34 | H341 | 119.5° | 120.1° |
| C34 | C28 | C27 | 118.0° | 120.1° |
| C28 | C34 | H341 | 119.5° | 120.1° |
| C28 | C27 | N26 | 120.3° | 127.4° |
| C28 | C27 | C23 | 129.4° | 127.4° |
| C27 | N26 | O25 | 107.9° | 111.9° |
| N26 | C27 | C23 | 109.9° | 105.2° |
| N26 | O25 | C24 | 113.6° | 113.2° |
| C27 | C23 | C24 | 102.4° | 103.0° |
| C27 | C23 | C21 | 131.4° | 128.5° |
| O25 | C24 | C23 | 106.1° | 106.6° |
| O25 | C24 | C35 | 118.9° | 126.7° |
| C24 | C23 | C21 | 126.1° | 128.5° |
| C23 | C24 | C35 | 134.9° | 126.7° |
| C23 | C21 | C20 | 121.0° | 120.9° |
| C23 | C21 | C22 | 121.2° | 120.9° |
| C21 | C20 | C19 | 118.5° | 119.2° |
| C20 | C21 | C22 | 117.8° | 118.3° |
| C21 | C20 | H201 | 120.7° | 120.4° |
| C20 | C19 | N18 | 121.6° | 121.0° |
| C20 | C19 | H191 | 119.2° | 119.6° |
| C19 | C20 | H201 | 120.7° | 120.4° |
| C24 | C35 | C36 | 113.8° | 109.5° |
| C24 | C35 | C37 | 110.0° | 109.5° |
| C24 | C35 | H351 | 108.7° | 109.5° |
| C21 | C22 | C17 | 120.8° | 119.0° |
| C21 | C22 | H221 | 119.6° | 120.5° |
| C19 | N18 | C17 | 122.5° | 121.9° |
| N18 | C19 | H191 | 119.2° | 119.4° |
| C36 | C35 | C37 | 107.5° | 109.4° |
| C36 | C35 | H351 | 108.3° | 109.5° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.4° |
| C37 | C35 | H351 | 108.4° | 109.4° |
| C35 | C37 | H372 | 109.5° | 109.5° |
| C35 | C37 | H373 | 109.5° | 109.5° |
| C35 | C37 | H371 | 109.5° | 109.5° |
| C22 | C17 | N18 | 118.7° | 120.7° |
| C22 | C17 | N16 | 122.8° | 119.7° |
| C17 | C22 | H221 | 119.6° | 120.5° |
| N18 | C17 | N16 | 118.4° | 119.6° |
| C17 | N16 | C14 | 126.6° | 120.0° |
| C17 | N16 | H161 | 116.7° | 120.0° |
| N16 | C14 | O15 | 126.9° | 120.0° |
| N16 | C14 | C13 | 117.6° | 120.0° |
| C14 | N16 | H161 | 116.7° | 120.0° |
| O15 | C14 | C13 | 115.4° | 120.0° |
| C14 | C13 | C12 | 124.4° | 126.0° |
| C14 | C13 | N09 | 128.0° | 126.0° |
| C12 | C13 | N09 | 107.6° | 108.0° |
| C13 | C12 | C11 | 108.5° | 107.1° |
| C13 | C12 | H121 | 125.8° | 126.4° |
| C13 | N09 | C08 | 130.2° | 127.5° |
| C13 | N09 | C10 | 111.1° | 108.8° |
| C12 | C11 | C10 | 104.3° | 107.3° |
| C12 | C11 | C38 | 128.0° | 126.4° |
| C11 | C12 | H121 | 125.7° | 126.4° |
| C08 | N09 | C10 | 118.6° | 123.7° |
| N09 | C08 | C07 | 113.3° | 110.5° |
| N09 | C08 | H081 | 108.5° | 109.3° |
| N09 | C08 | H082 | 108.5° | 109.2° |
| N09 | C10 | C11 | 108.4° | 108.8° |
| N09 | C10 | C1 | 124.4° | 123.2° |
| C08 | C07 | C05 | 111.6° | 105.9° |
| C08 | C07 | N01 | 114.4° | 111.0° |
| C08 | C07 | H071 | 109.1° | 112.4° |
| C07 | C08 | H081 | 108.5° | 109.3° |
| C07 | C08 | H082 | 108.5° | 109.2° |
| C10 | C11 | C38 | 127.5° | 126.3° |
| C11 | C10 | C1 | 127.1° | 128.0° |
| C11 | C38 | C45 | 117.0° | 120.1° |
| C11 | C38 | C39 | 122.7° | 120.0° |
| O06 | C05 | C07 | 113.8° | 110.5° |
| O06 | C05 | C03 | 109.9° | 110.4° |
| O06 | C05 | H051 | 110.1° | 110.3° |
| C05 | O06 | H061 | 109.5° | 114.0° |
| C10 | C1 | N01 | 112.3° | 110.5° |
| C10 | C1 | H1 | 108.8° | 109.3° |
| C10 | C1 | H11 | 108.7° | 109.2° |
| C05 | C07 | N01 | 102.6° | 102.6° |
| C07 | C05 | C03 | 106.1° | 104.7° |
| C07 | C05 | H051 | 108.3° | 110.4° |
| C05 | C07 | H071 | 108.9° | 112.2° |
| C07 | N01 | C1 | 120.0° | 116.1° |
| C07 | N01 | C02 | 111.1° | 105.2° |
| N01 | C07 | H071 | 109.9° | 112.1° |
| C05 | C03 | O04 | 108.9° | 110.3° |
| C05 | C03 | C02 | 100.7° | 105.1° |
| C05 | C03 | H031 | 111.8° | 110.3° |
| C03 | C05 | H051 | 108.5° | 110.4° |
| C38 | C45 | C44 | 121.0° | 120.0° |
| C45 | C38 | C39 | 120.3° | 119.9° |
| C38 | C45 | H451 | 119.5° | 120.0° |
| C45 | C44 | C41 | 117.2° | 120.1° |
| C45 | C44 | H441 | 121.4° | 120.0° |
| C44 | C45 | H451 | 119.5° | 120.0° |
| C38 | C39 | C40 | 119.1° | 119.9° |
| C38 | C39 | H391 | 120.5° | 120.0° |
| C1 | N01 | C02 | 113.1° | 115.8° |
| N01 | C1 | H1 | 108.8° | 109.3° |
| N01 | C1 | H11 | 108.8° | 109.3° |
| N01 | C02 | C03 | 104.9° | 103.4° |
| N01 | C02 | H021 | 110.6° | 110.6° |
| N01 | C02 | H022 | 110.6° | 110.6° |
| C44 | C41 | C40 | 122.1° | 120.1° |
| C44 | C41 | O42 | 119.9° | 120.0° |
| C41 | C44 | H441 | 121.4° | 120.0° |
| C39 | C40 | C41 | 120.3° | 120.1° |
| C40 | C39 | H391 | 120.5° | 120.1° |
| C39 | C40 | H401 | 119.9° | 120.0° |
| O04 | C03 | C02 | 109.5° | 110.4° |
| O04 | C03 | H031 | 113.4° | 110.3° |
| C03 | O04 | H041 | 109.5° | 114.1° |
| C03 | C02 | H021 | 110.6° | 110.7° |
| C03 | C02 | H022 | 110.6° | 110.7° |
| C02 | C03 | H031 | 111.8° | 110.3° |
| C40 | C41 | O42 | 118.0° | 119.9° |
| C41 | C40 | H401 | 119.8° | 119.9° |
| C41 | O42 | C43 | 118.2° | 117.0° |
| O42 | C43 | H432 | 109.5° | 109.4° |
| O42 | C43 | H431 | 109.5° | 109.5° |
| O42 | C43 | H433 | 109.5° | 109.5° |
| H1 | C1 | H11 | 109.5° | 109.3° |
| H021 | C02 | H022 | 109.5° | 110.6° |
| H081 | C08 | H082 | 109.5° | 109.3° |
| H363 | C36 | H362 | 109.4° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.4° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H373 | C37 | H371 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.4° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C31 | C30 | C33 | 179.1° | 180.0° |
| F32 | C31 | C30 | C29 | 178.1° | 180.0° |
| F32 | C31 | C33 | C34 | 179.3° | 180.0° |
| F32 | C31 | C30 | H301 | 1.9° | 0.0° |
| F32 | C31 | C33 | H331 | 0.7° | 0.1° |
| C31 | C30 | C29 | H301 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C31 | C33 | C34 | 0.3° | 0.0° |
| C31 | C30 | C29 | H291 | 179.9° | 179.9° |
| C30 | C31 | C33 | H331 | 179.7° | 179.9° |
| C29 | C30 | C31 | C33 | 0.9° | 0.0° |
| C30 | C29 | C28 | H291 | 180.0° | 179.9° |
| C30 | C29 | C28 | C34 | 2.0° | 0.0° |
| C30 | C29 | C28 | C27 | 176.2° | 179.7° |
| C31 | C33 | C34 | H331 | 180.0° | 179.9° |
| C31 | C33 | C34 | C28 | 2.4° | 0.0° |
| C33 | C31 | C30 | H301 | 179.1° | 180.0° |
| C31 | C33 | C34 | H341 | 177.6° | 179.8° |
| C29 | C28 | C34 | C33 | 3.3° | 0.0° |
| C29 | C28 | C34 | C27 | 174.4° | 179.7° |
| C29 | C28 | C27 | N26 | 51.7° | 142.1° |
| C29 | C28 | C27 | C23 | 136.0° | 37.9° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| C29 | C28 | C34 | H341 | 176.7° | 179.8° |
| C33 | C34 | C28 | H341 | 180.0° | 179.8° |
| C33 | C34 | C28 | C27 | 177.7° | 179.7° |
| C34 | C28 | C27 | N26 | 122.5° | 38.2° |
| C34 | C28 | C27 | C23 | 49.8° | 141.8° |
| C34 | C28 | C29 | H291 | 178.0° | 180.0° |
| C28 | C34 | C33 | H331 | 177.6° | 179.9° |
| C28 | C27 | N26 | C23 | 173.7° | 180.0° |
| C28 | C27 | N26 | O25 | 176.4° | 179.7° |
| C28 | C27 | C23 | C24 | 175.3° | 180.0° |
| C28 | C27 | C23 | C21 | 7.3° | 0.3° |
| C27 | C28 | C29 | H291 | 3.8° | 0.3° |
| C27 | C28 | C34 | H341 | 2.3° | 0.1° |
| C27 | N26 | O25 | C24 | 2.0° | 0.5° |
| N26 | C27 | C23 | C24 | 2.4° | 0.0° |
| N26 | C27 | C23 | C21 | 179.8° | 179.7° |
| O25 | N26 | C27 | C23 | 2.8° | 0.3° |
| N26 | O25 | C24 | C23 | 0.5° | 0.5° |
| N26 | O25 | C24 | C35 | 179.0° | 179.6° |
| C27 | C23 | C24 | O25 | 1.1° | 0.3° |
| C27 | C23 | C24 | C21 | 177.6° | 179.7° |
| C27 | C23 | C21 | C20 | 32.8° | 112.8° |
| C27 | C23 | C24 | C35 | 177.0° | 179.8° |
| C27 | C23 | C21 | C22 | 148.7° | 67.4° |
| O25 | C24 | C23 | C35 | 178.1° | 180.0° |
| O25 | C24 | C23 | C21 | 178.8° | 180.0° |
| O25 | C24 | C35 | C36 | 32.4° | 60.0° |
| O25 | C24 | C35 | C37 | 88.3° | 60.0° |
| O25 | C24 | C35 | H351 | 153.2° | 180.0° |
| C24 | C23 | C21 | C20 | 144.1° | 66.8° |
| C24 | C23 | C21 | C22 | 34.4° | 112.9° |
| C23 | C24 | C35 | C36 | 145.5° | 120.1° |
| C23 | C24 | C35 | C37 | 93.8° | 120.0° |
| C23 | C24 | C35 | H351 | 24.7° | 0.0° |
| C23 | C21 | C20 | C22 | 178.6° | 179.8° |
| C23 | C21 | C20 | C19 | 179.6° | 180.0° |
| C21 | C23 | C24 | C35 | 0.6° | 0.1° |
| C23 | C21 | C22 | C17 | 178.7° | 179.8° |
| C23 | C21 | C20 | H201 | 0.4° | 0.3° |
| C23 | C21 | C22 | H221 | 1.3° | 0.3° |
| C21 | C20 | C19 | H201 | 180.0° | 179.7° |
| C21 | C20 | C19 | N18 | 3.9° | 0.3° |
| C20 | C21 | C22 | C17 | 0.1° | 0.0° |
| C21 | C20 | C19 | H191 | 176.1° | 179.7° |
| C20 | C21 | C22 | H221 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 1.8° | 0.3° |
| C20 | C19 | N18 | H191 | 180.0° | 180.0° |
| C20 | C19 | N18 | C17 | 4.2° | 0.0° |
| C24 | C35 | C36 | C37 | 122.0° | 120.0° |
| C24 | C35 | C36 | H351 | 121.0° | 120.1° |
| C24 | C35 | C37 | H351 | 118.7° | 120.0° |
| C24 | C35 | C36 | H363 | 180.0° | 60.0° |
| C24 | C35 | C36 | H362 | 60.0° | 180.0° |
| C24 | C35 | C36 | H361 | 60.0° | 60.0° |
| C24 | C35 | C37 | H372 | 180.0° | 60.0° |
| C24 | C35 | C37 | H373 | 60.0° | 180.0° |
| C24 | C35 | C37 | H371 | 60.0° | 60.0° |
| C21 | C22 | C17 | H221 | 180.0° | 180.0° |
| C21 | C22 | C17 | N18 | 0.3° | 0.3° |
| C21 | C22 | C17 | N16 | 178.7° | 180.0° |
| C22 | C21 | C20 | H201 | 178.2° | 180.0° |
| C19 | N18 | C17 | C22 | 2.4° | 0.3° |
| C19 | N18 | C17 | N16 | 179.2° | 180.0° |
| N18 | C19 | C20 | H201 | 176.1° | 180.0° |
| C36 | C35 | C37 | H351 | 116.9° | 120.0° |
| C35 | C36 | H363 | H362 | 120.0° | 120.0° |
| C35 | C36 | H363 | H361 | 120.0° | 120.0° |
| C35 | C36 | H362 | H361 | 120.0° | 119.9° |
| C36 | C35 | C37 | H372 | 55.6° | 180.0° |
| C36 | C35 | C37 | H373 | 64.4° | 60.0° |
| C36 | C35 | C37 | H371 | 175.6° | 60.0° |
| C37 | C35 | C36 | H363 | 58.0° | 60.0° |
| C37 | C35 | C36 | H362 | 177.9° | 60.1° |
| C37 | C35 | C36 | H361 | 62.0° | 180.0° |
| C35 | C37 | H372 | H373 | 120.0° | 120.0° |
| C35 | C37 | H372 | H371 | 120.0° | 120.0° |
| C35 | C37 | H373 | H371 | 120.0° | 120.0° |
| C22 | C17 | N18 | N16 | 178.4° | 179.7° |
| C22 | C17 | N16 | C14 | 7.6° | 20.2° |
| C22 | C17 | N16 | H161 | 172.4° | 159.7° |
| N18 | C17 | N16 | C14 | 170.8° | 159.5° |
| C17 | N18 | C19 | H191 | 175.7° | 180.0° |
| N18 | C17 | C22 | H221 | 179.7° | 179.7° |
| N18 | C17 | N16 | H161 | 9.2° | 20.6° |
| C17 | N16 | C14 | H161 | 180.0° | 179.9° |
| C17 | N16 | C14 | O15 | 6.3° | 4.8° |
| C17 | N16 | C14 | C13 | 169.5° | 175.3° |
| N16 | C17 | C22 | H221 | 1.4° | 0.0° |
| N16 | C14 | O15 | C13 | 176.0° | 180.0° |
| N16 | C14 | C13 | C12 | 14.6° | 173.5° |
| N16 | C14 | C13 | N09 | 163.4° | 6.5° |
| O15 | C14 | C13 | C12 | 169.0° | 6.5° |
| O15 | C14 | C13 | N09 | 13.0° | 173.5° |
| O15 | C14 | N16 | H161 | 173.7° | 175.3° |
| C14 | C13 | C12 | N09 | 178.4° | 180.0° |
| C14 | C13 | C12 | C11 | 178.0° | 179.7° |
| C14 | C13 | N09 | C08 | 0.2° | 1.2° |
| C14 | C13 | N09 | C10 | 178.7° | 179.3° |
| C14 | C13 | C12 | H121 | 2.0° | 0.3° |
| C13 | C14 | N16 | H161 | 10.4° | 4.7° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C13 | N09 | C08 | 178.0° | 178.8° |
| C12 | C13 | N09 | C10 | 0.4° | 0.7° |
| C13 | C12 | C11 | C10 | 0.8° | 0.2° |
| C13 | C12 | C11 | C38 | 176.5° | 179.7° |
| N09 | C13 | C12 | C11 | 0.3° | 0.3° |
| C13 | N09 | C08 | C10 | 178.3° | 179.4° |
| C13 | N09 | C08 | C07 | 147.1° | 162.8° |
| C13 | N09 | C10 | C11 | 0.9° | 0.8° |
| C13 | N09 | C10 | C1 | 178.4° | 179.0° |
| C13 | N09 | C08 | H081 | 92.3° | 42.6° |
| C13 | N09 | C08 | H082 | 26.6° | 77.0° |
| N09 | C13 | C12 | H121 | 179.7° | 179.7° |
| C12 | C11 | C10 | N09 | 1.1° | 0.6° |
| C12 | C11 | C10 | C38 | 175.7° | 179.9° |
| C12 | C11 | C10 | C1 | 178.4° | 179.2° |
| C12 | C11 | C38 | C45 | 49.5° | 129.6° |
| C12 | C11 | C38 | C39 | 133.3° | 50.1° |
| N09 | C08 | C07 | H081 | 120.6° | 120.3° |
| N09 | C08 | C07 | H082 | 120.6° | 120.2° |
| C08 | N09 | C10 | C11 | 177.7° | 178.7° |
| C08 | N09 | C10 | C1 | 0.2° | 1.5° |
| N09 | C08 | C07 | C05 | 155.5° | 155.0° |
| N09 | C08 | C07 | N01 | 39.5° | 44.3° |
| N09 | C08 | C07 | H071 | 84.1° | 82.1° |
| N09 | C08 | H081 | H082 | 118.3° | 119.5° |
| C10 | N09 | C08 | C07 | 34.5° | 17.7° |
| N09 | C10 | C11 | C1 | 177.4° | 179.8° |
| N09 | C10 | C11 | C38 | 176.8° | 179.3° |
| N09 | C10 | C1 | N01 | 29.3° | 12.1° |
| N09 | C10 | C1 | H1 | 149.8° | 108.2° |
| N09 | C10 | C1 | H11 | 91.1° | 132.3° |
| C10 | N09 | C08 | H081 | 86.0° | 138.0° |
| C10 | N09 | C08 | H082 | 155.1° | 102.5° |
| C08 | C07 | C05 | O06 | 90.5° | 151.7° |
| C08 | C07 | C05 | N01 | 123.0° | 116.5° |
| C08 | C07 | C05 | H071 | 120.5° | 123.0° |
| C08 | C07 | N01 | H071 | 123.2° | 126.6° |
| C08 | C07 | C05 | C03 | 148.5° | 89.5° |
| C08 | C07 | N01 | C1 | 11.0° | 59.8° |
| C08 | C07 | N01 | C02 | 124.1° | 69.6° |
| C08 | C07 | C05 | H051 | 32.2° | 29.4° |
| C07 | C08 | H081 | H082 | 118.3° | 119.5° |
| C10 | C11 | C38 | C45 | 125.2° | 50.2° |
| C10 | C11 | C38 | C39 | 51.9° | 130.1° |
| C11 | C10 | C1 | N01 | 153.7° | 168.1° |
| C11 | C10 | C1 | H1 | 33.2° | 71.7° |
| C11 | C10 | C1 | H11 | 85.9° | 47.9° |
| C10 | C11 | C12 | H121 | 179.2° | 179.8° |
| C38 | C11 | C10 | C1 | 5.9° | 0.9° |
| C11 | C38 | C45 | C39 | 177.3° | 179.7° |
| C11 | C38 | C45 | C44 | 178.5° | 179.7° |
| C11 | C38 | C39 | C40 | 179.2° | 180.0° |
| C38 | C11 | C12 | H121 | 3.5° | 0.3° |
| C11 | C38 | C39 | H391 | 0.8° | 0.1° |
| C11 | C38 | C45 | H451 | 1.5° | 0.0° |
| O06 | C05 | C07 | C03 | 120.9° | 118.8° |
| O06 | C05 | C07 | H051 | 122.8° | 122.3° |
| O06 | C05 | C07 | N01 | 146.5° | 91.8° |
| O06 | C05 | C03 | H051 | 120.5° | 122.3° |
| O06 | C05 | C03 | O04 | 45.7° | 2.4° |
| O06 | C05 | C03 | C02 | 160.7° | 116.6° |
| O06 | C05 | C03 | H031 | 80.4° | 124.5° |
| O06 | C05 | C07 | H071 | 30.0° | 28.6° |
| C10 | C1 | N01 | C07 | 21.1° | 41.5° |
| C10 | C1 | N01 | H1 | 120.4° | 120.3° |
| C10 | C1 | N01 | H11 | 120.4° | 120.2° |
| C10 | C1 | N01 | C02 | 155.5° | 82.6° |
| C10 | C1 | H1 | H11 | 118.7° | 119.5° |
| C05 | C07 | N01 | H071 | 115.8° | 120.6° |
| C07 | C05 | C03 | H051 | 116.1° | 118.8° |
| C05 | C07 | N01 | C1 | 132.1° | 172.6° |
| C05 | C07 | N01 | C02 | 3.1° | 43.2° |
| C07 | C05 | C03 | O04 | 77.7° | 121.3° |
| C07 | C05 | C03 | C02 | 37.3° | 2.3° |
| C07 | C05 | C03 | H031 | 156.2° | 116.6° |
| C05 | C07 | C08 | H081 | 34.9° | 84.7° |
| C05 | C07 | C08 | H082 | 83.9° | 34.7° |
| C07 | C05 | O06 | H061 | 180.0° | 176.8° |
| N01 | C07 | C05 | C03 | 25.6° | 27.0° |
| C07 | N01 | C1 | C02 | 134.4° | 124.1° |
| C07 | N01 | C02 | C03 | 20.4° | 41.9° |
| C07 | N01 | C1 | H1 | 141.6° | 78.7° |
| C07 | N01 | C1 | H11 | 99.3° | 161.7° |
| C07 | N01 | C02 | H021 | 139.6° | 76.7° |
| C07 | N01 | C02 | H022 | 98.9° | 160.4° |
| N01 | C07 | C05 | H051 | 90.7° | 145.8° |
| N01 | C07 | C08 | H081 | 81.0° | 164.6° |
| N01 | C07 | C08 | H082 | 160.1° | 75.9° |
| C05 | C03 | C02 | N01 | 34.7° | 23.3° |
| C05 | C03 | O04 | C02 | 109.2° | 115.7° |
| C05 | C03 | O04 | H031 | 125.2° | 122.2° |
| C05 | C03 | C02 | H031 | 118.9° | 118.9° |
| C05 | C03 | C02 | H021 | 154.0° | 95.3° |
| C05 | C03 | C02 | H022 | 84.6° | 141.7° |
| C03 | C05 | C07 | H071 | 90.9° | 147.5° |
| C05 | C03 | O04 | H041 | 180.0° | 177.1° |
| C03 | C05 | O06 | H061 | 61.2° | 61.5° |
| C38 | C45 | C44 | H451 | 180.0° | 179.7° |
| C38 | C45 | C44 | C41 | 1.1° | 0.6° |
| C45 | C38 | C39 | C40 | 2.1° | 0.3° |
| C45 | C38 | C39 | H391 | 177.9° | 179.8° |
| C38 | C45 | C44 | H441 | 178.9° | 179.7° |
| C44 | C45 | C38 | C39 | 1.2° | 0.6° |
| C45 | C44 | C41 | H441 | 180.0° | 179.7° |
| C45 | C44 | C41 | C40 | 2.6° | 0.3° |
| C45 | C44 | C41 | O42 | 179.5° | 179.7° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.7° | 0.0° |
| C38 | C39 | C40 | H401 | 179.3° | 180.0° |
| C39 | C38 | C45 | H451 | 178.8° | 179.7° |
| C1 | N01 | C02 | C03 | 158.8° | 171.4° |
| N01 | C1 | H1 | H11 | 118.7° | 119.5° |
| C1 | N01 | C02 | H021 | 81.9° | 52.9° |
| C1 | N01 | C02 | H022 | 39.5° | 70.0° |
| C1 | N01 | C07 | H071 | 112.1° | 66.8° |
| N01 | C02 | C03 | O04 | 79.9° | 95.7° |
| N01 | C02 | C03 | H021 | 119.3° | 118.5° |
| N01 | C02 | C03 | H022 | 119.3° | 118.5° |
| C02 | N01 | C1 | H1 | 84.1° | 157.1° |
| C02 | N01 | C1 | H11 | 35.1° | 37.6° |
| N01 | C02 | H021 | H022 | 122.1° | 122.9° |
| N01 | C02 | C03 | H031 | 153.6° | 142.2° |
| C02 | N01 | C07 | H071 | 112.7° | 163.8° |
| C44 | C41 | C40 | C39 | 1.7° | 0.0° |
| C44 | C41 | C40 | O42 | 177.0° | 180.0° |
| C44 | C41 | O42 | C43 | 22.2° | 0.0° |
| C44 | C41 | C40 | H401 | 178.3° | 180.0° |
| C41 | C44 | C45 | H451 | 178.9° | 179.7° |
| C39 | C40 | C41 | H401 | 180.0° | 180.0° |
| C39 | C40 | C41 | O42 | 178.7° | 180.0° |
| O04 | C03 | C02 | H031 | 126.5° | 122.1° |
| O04 | C03 | C02 | H021 | 39.4° | 145.8° |
| O04 | C03 | C02 | H022 | 160.9° | 22.8° |
| O04 | C03 | C05 | H051 | 166.2° | 119.9° |
| C03 | C02 | H021 | H022 | 122.1° | 123.1° |
| C02 | C03 | C05 | H051 | 78.8° | 121.2° |
| C02 | C03 | O04 | H041 | 70.8° | 61.4° |
| C40 | C41 | O42 | C43 | 154.9° | 180.0° |
| C41 | C40 | C39 | H391 | 179.3° | 180.0° |
| C40 | C41 | C44 | H441 | 177.4° | 180.0° |
| O42 | C41 | C40 | H401 | 1.3° | 0.0° |
| C41 | O42 | C43 | H432 | 180.0° | 60.0° |
| C41 | O42 | C43 | H431 | 60.0° | 59.9° |
| C41 | O42 | C43 | H433 | 60.0° | 180.0° |
| O42 | C41 | C44 | H441 | 0.5° | 0.0° |
| O42 | C43 | H432 | H431 | 120.0° | 120.0° |
| O42 | C43 | H432 | H433 | 120.0° | 120.0° |
| O42 | C43 | H431 | H433 | 120.0° | 120.0° |
| H021 | C02 | C03 | H031 | 87.1° | 23.7° |
| H022 | C02 | C03 | H031 | 34.3° | 99.4° |
| H031 | C03 | C05 | H051 | 40.1° | 2.2° |
| H031 | C03 | O04 | H041 | 54.8° | 60.7° |
| H051 | C05 | C07 | H071 | 152.8° | 93.7° |
| H051 | C05 | O06 | H061 | 58.3° | 60.9° |
| H071 | C07 | C08 | H081 | 155.3° | 38.2° |
| H071 | C07 | C08 | H082 | 36.5° | 157.6° |
| H191 | C19 | C20 | H201 | 3.9° | 0.0° |
| H291 | C29 | C30 | H301 | 0.1° | 0.1° |
| H331 | C33 | C34 | H341 | 2.4° | 0.3° |
| H351 | C35 | C36 | H363 | 59.0° | 180.0° |
| H351 | C35 | C36 | H362 | 61.0° | 59.9° |
| H351 | C35 | C36 | H361 | 179.0° | 60.0° |
| H351 | C35 | C37 | H372 | 61.3° | 60.0° |
| H351 | C35 | C37 | H373 | 178.7° | 60.0° |
| H351 | C35 | C37 | H371 | 58.7° | 180.0° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H372 | C37 | H373 | H371 | 120.0° | 120.0° |
| H391 | C39 | C40 | H401 | 0.7° | 0.0° |
| H432 | C43 | H431 | H433 | 120.0° | 120.0° |
| H441 | C44 | C45 | H451 | 1.1° | 0.1° |
