GGA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.52Å | 1.52Å | |
| C1 | O2 | doub | 1.22Å | 1.37Å | |
| C1 | O4 | sing | 1.36Å | 1.44Å | |
| O4 | HO4 | sing | 0.98Å | 0.95Å | |
| C6 | N8 | sing | 1.44Å | 1.47Å | |
| C6 | C10 | sing | 1.53Å | 1.51Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| N8 | HN81 | sing | 1.01Å | 1.00Å | |
| N8 | HN82 | sing | 1.01Å | 1.00Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C12 | C14 | sing | 1.52Å | 1.48Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C14 | N18 | sing | 1.39Å | 1.39Å | |
| C14 | O16 | doub | 1.23Å | 1.24Å | |
| N18 | C20 | sing | 1.44Å | 1.44Å | |
| N18 | HN18 | sing | 1.02Å | 1.00Å | |
| C20 | C24 | sing | 1.52Å | 1.53Å | |
| C20 | C22 | sing | 1.52Å | 1.55Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.10Å | 1.10Å | |
| C24 | O26 | doub | 1.23Å | 1.24Å | |
| C24 | N30 | sing | 1.39Å | 1.37Å | |
| N30 | C29 | sing | 1.45Å | 1.41Å | |
| N30 | HN30 | sing | 1.02Å | 1.00Å | |
| C29 | P34 | sing | 1.78Å | 1.65Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| P34 | C33 | sing | 1.78Å | 1.64Å | |
| P34 | O58 | sing | 1.62Å | 1.57Å | |
| P34 | O56 | doub | 1.50Å | 1.33Å | |
| C33 | C35 | sing | 1.52Å | 1.53Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C39 | N44 | sing | 1.46Å | 1.47Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| N44 | C43 | sing | 1.46Å | 1.46Å | |
| N44 | HN44 | sing | 1.02Å | 1.00Å | |
| C43 | C45 | sing | 1.52Å | 1.54Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | C47 | sing | 1.53Å | 1.54Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C47 | C49 | sing | 1.53Å | 1.53Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C49 | N54 | sing | 1.44Å | 1.47Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| N54 | H541 | sing | 1.01Å | 1.00Å | |
| N54 | H542 | sing | 1.01Å | 1.00Å | |
| O58 | P60 | sing | 1.61Å | 1.56Å | |
| P60 | O66 | doub | 1.50Å | 1.51Å | |
| P60 | O62 | sing | 1.62Å | 1.50Å | |
| P60 | O64 | sing | 1.62Å | 1.35Å | |
| O62 | HO62 | sing | 0.98Å | 0.95Å | |
| O64 | HO64 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | O2 | 125.8° | 125.2° |
| C6 | C1 | O4 | 111.9° | 111.9° |
| C1 | C6 | N8 | 110.6° | 106.6° |
| C1 | C6 | C10 | 107.3° | 110.3° |
| C1 | C6 | H6 | 110.7° | 109.2° |
| O2 | C1 | O4 | 122.3° | 122.9° |
| C1 | O4 | HO4 | 109.5° | 115.3° |
| N8 | C6 | C10 | 111.0° | 112.4° |
| N8 | C6 | H6 | 106.9° | 106.0° |
| C6 | N8 | HN81 | 109.5° | 119.0° |
| C6 | N8 | HN82 | 109.4° | 119.0° |
| C10 | C6 | H6 | 110.3° | 112.2° |
| C6 | C10 | C12 | 110.2° | 113.4° |
| C6 | C10 | H101 | 109.2° | 109.3° |
| C6 | C10 | H102 | 109.0° | 109.8° |
| HN81 | N8 | HN82 | 109.5° | 120.6° |
| C12 | C10 | H101 | 109.2° | 108.4° |
| C12 | C10 | H102 | 109.0° | 109.5° |
| C10 | C12 | C14 | 108.9° | 113.7° |
| C10 | C12 | H121 | 109.7° | 110.7° |
| C10 | C12 | H122 | 109.8° | 108.7° |
| H101 | C10 | H102 | 110.1° | 106.1° |
| C14 | C12 | H121 | 109.7° | 109.4° |
| C14 | C12 | H122 | 109.8° | 106.9° |
| C12 | C14 | N18 | 116.9° | 111.8° |
| C12 | C14 | O16 | 120.8° | 123.2° |
| H121 | C12 | H122 | 109.0° | 107.3° |
| N18 | C14 | O16 | 122.2° | 124.9° |
| C14 | N18 | C20 | 126.5° | 122.8° |
| C14 | N18 | HN18 | 116.8° | 118.6° |
| C20 | N18 | HN18 | 116.7° | 118.6° |
| N18 | C20 | C24 | 111.9° | 108.0° |
| N18 | C20 | C22 | 118.1° | 111.4° |
| N18 | C20 | H20 | 101.7° | 106.8° |
| C24 | C20 | C22 | 111.1° | 110.9° |
| C24 | C20 | H20 | 110.3° | 109.5° |
| C20 | C24 | O26 | 113.7° | 123.0° |
| C20 | C24 | N30 | 121.1° | 112.1° |
| C22 | C20 | H20 | 102.7° | 110.2° |
| C20 | C22 | H221 | 109.5° | 111.2° |
| C20 | C22 | H222 | 109.5° | 111.3° |
| C20 | C22 | H223 | 109.5° | 110.8° |
| H221 | C22 | H222 | 109.5° | 107.6° |
| H221 | C22 | H223 | 109.4° | 107.6° |
| H222 | C22 | H223 | 109.5° | 108.2° |
| O26 | C24 | N30 | 125.1° | 124.9° |
| C24 | N30 | C29 | 123.5° | 123.2° |
| C24 | N30 | HN30 | 118.2° | 118.4° |
| C29 | N30 | HN30 | 118.2° | 118.4° |
| N30 | C29 | P34 | 103.1° | 107.4° |
| N30 | C29 | H291 | 111.7° | 110.4° |
| N30 | C29 | H292 | 113.0° | 107.6° |
| P34 | C29 | H291 | 111.6° | 111.5° |
| P34 | C29 | H292 | 113.0° | 110.8° |
| C29 | P34 | C33 | 111.1° | 107.6° |
| C29 | P34 | O58 | 116.6° | 102.4° |
| C29 | P34 | O56 | 110.8° | 114.3° |
| H291 | C29 | H292 | 104.7° | 109.0° |
| C33 | P34 | O58 | 106.1° | 103.5° |
| C33 | P34 | O56 | 100.2° | 114.1° |
| P34 | C33 | C35 | 111.2° | 113.7° |
| P34 | C33 | H331 | 108.9° | 107.2° |
| P34 | C33 | H332 | 108.5° | 108.6° |
| O58 | P34 | O56 | 110.7° | 113.7° |
| P34 | O58 | P60 | 124.3° | 132.1° |
| C35 | C33 | H331 | 108.9° | 109.2° |
| C35 | C33 | H332 | 108.5° | 110.6° |
| C33 | C35 | C37 | 110.8° | 112.2° |
| C33 | C35 | H351 | 109.0° | 109.3° |
| C33 | C35 | H352 | 108.7° | 108.9° |
| H331 | C33 | H332 | 110.9° | 107.3° |
| C37 | C35 | H351 | 109.0° | 109.6° |
| C37 | C35 | H352 | 108.7° | 109.4° |
| C35 | C37 | C39 | 114.2° | 111.1° |
| C35 | C37 | H371 | 108.0° | 109.8° |
| C35 | C37 | H372 | 106.9° | 109.4° |
| H351 | C35 | H352 | 110.5° | 107.4° |
| C39 | C37 | H371 | 107.9° | 109.5° |
| C39 | C37 | H372 | 106.9° | 109.8° |
| C37 | C39 | N44 | 105.2° | 110.3° |
| C37 | C39 | H391 | 110.9° | 110.1° |
| C37 | C39 | H392 | 111.9° | 110.3° |
| H371 | C37 | H372 | 113.2° | 107.1° |
| N44 | C39 | H391 | 110.9° | 108.9° |
| N44 | C39 | H392 | 111.9° | 109.3° |
| C39 | N44 | C43 | 110.9° | 110.9° |
| C39 | N44 | HN44 | 109.0° | 109.2° |
| H391 | C39 | H392 | 106.2° | 107.8° |
| C43 | N44 | HN44 | 109.0° | 109.3° |
| N44 | C43 | C45 | 109.1° | 111.7° |
| N44 | C43 | H431 | 109.6° | 108.2° |
| N44 | C43 | H432 | 109.7° | 107.6° |
| C45 | C43 | H431 | 109.6° | 111.2° |
| C45 | C43 | H432 | 109.7° | 109.9° |
| C43 | C45 | C47 | 109.1° | 112.1° |
| C43 | C45 | H451 | 109.6° | 108.8° |
| C43 | C45 | H452 | 109.7° | 109.2° |
| H431 | C43 | H432 | 109.2° | 108.1° |
| C47 | C45 | H451 | 109.6° | 109.4° |
| C47 | C45 | H452 | 109.7° | 109.9° |
| C45 | C47 | C49 | 109.2° | 112.6° |
| C45 | C47 | H471 | 109.5° | 109.9° |
| C45 | C47 | H472 | 109.6° | 109.0° |
| H451 | C45 | H452 | 109.1° | 107.3° |
| C49 | C47 | H471 | 109.6° | 109.6° |
| C49 | C47 | H472 | 109.6° | 108.5° |
| C47 | C49 | N54 | 109.9° | 112.5° |
| C47 | C49 | H491 | 109.3° | 110.0° |
| C47 | C49 | H492 | 109.3° | 111.2° |
| H471 | C47 | H472 | 109.3° | 107.1° |
| N54 | C49 | H491 | 109.4° | 107.0° |
| N54 | C49 | H492 | 109.2° | 107.9° |
| C49 | N54 | H541 | 109.5° | 119.2° |
| C49 | N54 | H542 | 109.5° | 119.3° |
| H491 | C49 | H492 | 109.8° | 108.1° |
| H541 | N54 | H542 | 109.5° | 120.1° |
| O58 | P60 | O66 | 107.5° | 114.9° |
| O58 | P60 | O62 | 112.0° | 103.4° |
| O58 | P60 | O64 | 111.8° | 103.1° |
| O66 | P60 | O62 | 109.7° | 115.3° |
| O66 | P60 | O64 | 111.5° | 115.1° |
| O62 | P60 | O64 | 104.3° | 103.4° |
| P60 | O62 | HO62 | 109.5° | 119.0° |
| P60 | O64 | HO64 | 109.5° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | O2 | O4 | 178.0° | 177.4° |
| C6 | C1 | O4 | HO4 | 178.3° | 177.8° |
| C1 | C6 | N8 | C10 | 119.0° | 120.9° |
| C1 | C6 | N8 | H6 | 120.6° | 116.2° |
| C1 | C6 | C10 | H6 | 120.6° | 121.9° |
| C1 | C6 | N8 | HN81 | 0.7° | 161.6° |
| C1 | C6 | N8 | HN82 | 119.3° | 31.8° |
| C1 | C6 | C10 | C12 | 177.2° | 61.0° |
| C1 | C6 | C10 | H101 | 57.2° | 60.0° |
| C1 | C6 | C10 | H102 | 63.1° | 176.1° |
| O2 | C1 | O4 | HO4 | 0.0° | 0.0° |
| O2 | C1 | C6 | N8 | 9.9° | 36.0° |
| O2 | C1 | C6 | C10 | 131.1° | 86.3° |
| O2 | C1 | C6 | H6 | 108.4° | 150.0° |
| O4 | C1 | C6 | N8 | 171.9° | 141.7° |
| O4 | C1 | C6 | C10 | 50.7° | 96.0° |
| O4 | C1 | C6 | H6 | 69.7° | 27.6° |
| N8 | C6 | C10 | H6 | 118.3° | 119.3° |
| C6 | N8 | HN81 | HN82 | 120.0° | 166.4° |
| N8 | C6 | C10 | C12 | 56.2° | 179.8° |
| N8 | C6 | C10 | H101 | 63.8° | 58.7° |
| N8 | C6 | C10 | H102 | 175.8° | 57.3° |
| C10 | C6 | N8 | HN81 | 118.4° | 40.7° |
| C10 | C6 | N8 | HN82 | 121.7° | 152.7° |
| C6 | C10 | C12 | H101 | 120.0° | 121.6° |
| C6 | C10 | C12 | H102 | 119.7° | 123.1° |
| C6 | C10 | H101 | H102 | 119.7° | 118.3° |
| C6 | C10 | C12 | C14 | 178.8° | 178.5° |
| C6 | C10 | C12 | H121 | 61.2° | 54.9° |
| C6 | C10 | C12 | H122 | 58.6° | 62.7° |
| H6 | C6 | N8 | HN81 | 121.3° | 82.2° |
| H6 | C6 | N8 | HN82 | 1.3° | 84.4° |
| H6 | C6 | C10 | C12 | 62.1° | 60.9° |
| H6 | C6 | C10 | H101 | 177.9° | 178.1° |
| H6 | C6 | C10 | H102 | 57.5° | 62.0° |
| C12 | C10 | H101 | H102 | 119.7° | 117.6° |
| C10 | C12 | C14 | H121 | 120.0° | 124.3° |
| C10 | C12 | C14 | H122 | 120.2° | 119.9° |
| C10 | C12 | H121 | H122 | 120.2° | 118.5° |
| C10 | C12 | C14 | N18 | 176.8° | 180.0° |
| C10 | C12 | C14 | O16 | 1.6° | 1.2° |
| H101 | C10 | C12 | C14 | 58.8° | 60.0° |
| H101 | C10 | C12 | H121 | 178.8° | 176.5° |
| H101 | C10 | C12 | H122 | 61.4° | 58.9° |
| H102 | C10 | C12 | C14 | 61.5° | 55.4° |
| H102 | C10 | C12 | H121 | 58.5° | 68.2° |
| H102 | C10 | C12 | H122 | 178.2° | 174.2° |
| C14 | C12 | H121 | H122 | 120.2° | 115.6° |
| C12 | C14 | N18 | O16 | 178.4° | 178.8° |
| C12 | C14 | N18 | C20 | 177.5° | 178.7° |
| C12 | C14 | N18 | HN18 | 2.5° | 1.2° |
| H121 | C12 | C14 | N18 | 63.2° | 55.7° |
| H121 | C12 | C14 | O16 | 118.4° | 125.5° |
| H122 | C12 | C14 | N18 | 56.6° | 60.1° |
| H122 | C12 | C14 | O16 | 121.9° | 118.7° |
| C14 | N18 | C20 | HN18 | 180.0° | 179.9° |
| C14 | N18 | C20 | C24 | 84.8° | 147.7° |
| C14 | N18 | C20 | C22 | 46.0° | 90.3° |
| C14 | N18 | C20 | H20 | 157.4° | 30.0° |
| O16 | C14 | N18 | C20 | 0.9° | 0.0° |
| O16 | C14 | N18 | HN18 | 179.0° | 180.0° |
| N18 | C20 | C24 | C22 | 134.3° | 122.3° |
| N18 | C20 | C24 | H20 | 112.5° | 115.9° |
| N18 | C20 | C22 | H20 | 110.9° | 118.3° |
| N18 | C20 | C22 | H221 | 133.1° | 62.0° |
| N18 | C20 | C22 | H222 | 106.8° | 178.0° |
| N18 | C20 | C22 | H223 | 13.1° | 57.6° |
| N18 | C20 | C24 | O26 | 24.3° | 34.1° |
| N18 | C20 | C24 | N30 | 158.6° | 147.7° |
| HN18 | N18 | C20 | C24 | 95.1° | 32.3° |
| HN18 | N18 | C20 | C22 | 134.1° | 89.7° |
| HN18 | N18 | C20 | H20 | 22.6° | 150.0° |
| C24 | C20 | C22 | H20 | 117.9° | 121.4° |
| C24 | C20 | C22 | H221 | 95.8° | 58.2° |
| C24 | C20 | C22 | H222 | 24.3° | 61.7° |
| C24 | C20 | C22 | H223 | 144.3° | 177.9° |
| C20 | C24 | O26 | N30 | 177.0° | 178.0° |
| C20 | C24 | N30 | C29 | 176.3° | 178.1° |
| C20 | C24 | N30 | HN30 | 3.7° | 1.9° |
| C20 | C22 | H221 | H222 | 120.0° | 122.1° |
| C20 | C22 | H221 | H223 | 120.0° | 121.6° |
| C20 | C22 | H222 | H223 | 120.0° | 122.0° |
| C22 | C20 | C24 | O26 | 158.6° | 88.2° |
| C22 | C20 | C24 | N30 | 24.3° | 90.0° |
| H20 | C20 | C22 | H221 | 22.2° | 179.7° |
| H20 | C20 | C22 | H222 | 142.2° | 59.8° |
| H20 | C20 | C22 | H223 | 97.8° | 60.7° |
| H20 | C20 | C24 | O26 | 88.2° | 150.0° |
| H20 | C20 | C24 | N30 | 88.9° | 31.8° |
| H221 | C22 | H222 | H223 | 119.9° | 116.0° |
| O26 | C24 | N30 | C29 | 0.5° | 0.0° |
| O26 | C24 | N30 | HN30 | 179.5° | 180.0° |
| C24 | N30 | C29 | HN30 | 180.0° | 180.0° |
| C24 | N30 | C29 | P34 | 134.1° | 88.1° |
| C24 | N30 | C29 | H291 | 105.9° | 150.0° |
| C24 | N30 | C29 | H292 | 11.8° | 31.2° |
| N30 | C29 | P34 | H291 | 120.0° | 121.1° |
| N30 | C29 | P34 | H292 | 122.3° | 117.2° |
| N30 | C29 | H291 | H292 | 122.6° | 118.0° |
| N30 | C29 | P34 | C33 | 44.0° | 61.2° |
| N30 | C29 | P34 | O58 | 165.7° | 169.9° |
| N30 | C29 | P34 | O56 | 66.5° | 66.7° |
| HN30 | N30 | C29 | P34 | 45.9° | 91.9° |
| HN30 | N30 | C29 | H291 | 74.1° | 29.9° |
| HN30 | N30 | C29 | H292 | 168.2° | 148.8° |
| P34 | C29 | H291 | H292 | 122.6° | 122.7° |
| C29 | P34 | C33 | O58 | 127.7° | 108.0° |
| C29 | P34 | C33 | O56 | 117.2° | 127.9° |
| C29 | P34 | O58 | O56 | 127.8° | 123.8° |
| C29 | P34 | C33 | C35 | 63.9° | 180.0° |
| C29 | P34 | C33 | H331 | 56.0° | 59.2° |
| C29 | P34 | C33 | H332 | 176.8° | 56.4° |
| C29 | P34 | O58 | P60 | 1.5° | 68.2° |
| H291 | C29 | P34 | C33 | 164.0° | 60.0° |
| H291 | C29 | P34 | O58 | 74.3° | 48.7° |
| H291 | C29 | P34 | O56 | 53.5° | 172.2° |
| H292 | C29 | P34 | C33 | 78.3° | 178.4° |
| H292 | C29 | P34 | O58 | 43.4° | 72.9° |
| H292 | C29 | P34 | O56 | 171.2° | 50.6° |
| C33 | P34 | O58 | O56 | 107.8° | 124.4° |
| P34 | C33 | C35 | H331 | 120.0° | 119.6° |
| P34 | C33 | C35 | H332 | 119.3° | 122.5° |
| P34 | C33 | H331 | H332 | 119.3° | 116.5° |
| P34 | C33 | C35 | C37 | 177.2° | 179.6° |
| P34 | C33 | C35 | H351 | 62.8° | 58.7° |
| P34 | C33 | C35 | H352 | 57.8° | 58.3° |
| C33 | P34 | O58 | P60 | 122.9° | 180.0° |
| O58 | P34 | C33 | C35 | 63.7° | 72.0° |
| O58 | P34 | C33 | H331 | 176.3° | 48.7° |
| O58 | P34 | C33 | H332 | 55.5° | 164.4° |
| P34 | O58 | P60 | O66 | 178.6° | 60.0° |
| P34 | O58 | P60 | O62 | 60.8° | 173.5° |
| P34 | O58 | P60 | O64 | 55.9° | 66.0° |
| O56 | P34 | C33 | C35 | 178.9° | 52.1° |
| O56 | P34 | C33 | H331 | 61.1° | 172.9° |
| O56 | P34 | C33 | H332 | 59.6° | 71.5° |
| O56 | P34 | O58 | P60 | 129.3° | 55.6° |
| C35 | C33 | H331 | H332 | 119.3° | 119.9° |
| C33 | C35 | C37 | H351 | 120.0° | 121.6° |
| C33 | C35 | C37 | H352 | 119.4° | 120.9° |
| C33 | C35 | H351 | H352 | 119.5° | 117.9° |
| C33 | C35 | C37 | C39 | 121.1° | 178.5° |
| C33 | C35 | C37 | H371 | 118.9° | 60.3° |
| C33 | C35 | C37 | H372 | 3.1° | 57.0° |
| H331 | C33 | C35 | C37 | 57.2° | 60.0° |
| H331 | C33 | C35 | H351 | 177.2° | 178.3° |
| H331 | C33 | C35 | H352 | 62.2° | 61.3° |
| H332 | C33 | C35 | C37 | 63.5° | 57.9° |
| H332 | C33 | C35 | H351 | 56.4° | 63.9° |
| H332 | C33 | C35 | H352 | 177.0° | 179.1° |
| C37 | C35 | H351 | H352 | 119.4° | 118.8° |
| C35 | C37 | C39 | H371 | 120.0° | 121.4° |
| C35 | C37 | C39 | H372 | 117.9° | 121.2° |
| C35 | C37 | H371 | H372 | 118.1° | 118.7° |
| C35 | C37 | C39 | N44 | 177.4° | 179.7° |
| C35 | C37 | C39 | H391 | 62.6° | 60.0° |
| C35 | C37 | C39 | H392 | 55.7° | 58.8° |
| H351 | C35 | C37 | C39 | 1.1° | 60.0° |
| H351 | C35 | C37 | H371 | 121.1° | 61.3° |
| H351 | C35 | C37 | H372 | 116.9° | 178.6° |
| H352 | C35 | C37 | C39 | 119.5° | 57.5° |
| H352 | C35 | C37 | H371 | 0.5° | 178.8° |
| H352 | C35 | C37 | H372 | 122.6° | 63.9° |
| C39 | C37 | H371 | H372 | 118.1° | 119.1° |
| C37 | C39 | N44 | H391 | 120.0° | 121.0° |
| C37 | C39 | N44 | H392 | 121.6° | 121.5° |
| C37 | C39 | H391 | H392 | 121.7° | 120.4° |
| C37 | C39 | N44 | C43 | 178.1° | 179.5° |
| C37 | C39 | N44 | HN44 | 58.1° | 60.0° |
| H371 | C37 | C39 | N44 | 57.4° | 58.9° |
| H371 | C37 | C39 | H391 | 177.3° | 61.4° |
| H371 | C37 | C39 | H392 | 64.3° | 179.8° |
| H372 | C37 | C39 | N44 | 64.7° | 58.5° |
| H372 | C37 | C39 | H391 | 55.3° | 178.8° |
| H372 | C37 | C39 | H392 | 173.7° | 62.4° |
| N44 | C39 | H391 | H392 | 121.7° | 118.5° |
| C39 | N44 | C43 | HN44 | 120.0° | 120.4° |
| C39 | N44 | C43 | C45 | 176.7° | 179.6° |
| C39 | N44 | C43 | H431 | 63.3° | 57.7° |
| C39 | N44 | C43 | H432 | 56.5° | 58.9° |
| H391 | C39 | N44 | C43 | 61.9° | 59.5° |
| H391 | C39 | N44 | HN44 | 178.1° | 61.0° |
| H392 | C39 | N44 | C43 | 56.5° | 58.1° |
| H392 | C39 | N44 | HN44 | 63.5° | 178.6° |
| N44 | C43 | C45 | H431 | 120.0° | 121.0° |
| N44 | C43 | C45 | H432 | 120.1° | 119.3° |
| N44 | C43 | H431 | H432 | 120.1° | 116.2° |
| N44 | C43 | C45 | C47 | 177.2° | 179.0° |
| N44 | C43 | C45 | H451 | 57.2° | 57.8° |
| N44 | C43 | C45 | H452 | 62.6° | 59.0° |
| HN44 | N44 | C43 | C45 | 56.7° | 60.0° |
| HN44 | N44 | C43 | H431 | 176.7° | 62.7° |
| HN44 | N44 | C43 | H432 | 63.5° | 179.3° |
| C45 | C43 | H431 | H432 | 120.2° | 120.8° |
| C43 | C45 | C47 | H451 | 120.0° | 120.8° |
| C43 | C45 | C47 | H452 | 120.2° | 121.6° |
| C43 | C45 | H451 | H452 | 120.2° | 118.0° |
| C43 | C45 | C47 | C49 | 178.2° | 179.3° |
| C43 | C45 | C47 | H471 | 61.8° | 56.9° |
| C43 | C45 | C47 | H472 | 58.1° | 60.3° |
| H431 | C43 | C45 | C47 | 62.8° | 60.0° |
| H431 | C43 | C45 | H451 | 177.2° | 178.8° |
| H431 | C43 | C45 | H452 | 57.4° | 62.0° |
| H432 | C43 | C45 | C47 | 57.1° | 59.7° |
| H432 | C43 | C45 | H451 | 62.9° | 61.5° |
| H432 | C43 | C45 | H452 | 177.3° | 178.3° |
| C47 | C45 | H451 | H452 | 120.2° | 119.2° |
| C45 | C47 | C49 | H471 | 120.0° | 122.6° |
| C45 | C47 | C49 | H472 | 120.1° | 120.7° |
| C45 | C47 | H471 | H472 | 120.1° | 118.3° |
| C45 | C47 | C49 | N54 | 179.3° | 179.1° |
| C45 | C47 | C49 | H491 | 59.3° | 59.9° |
| C45 | C47 | C49 | H492 | 60.9° | 59.8° |
| H451 | C45 | C47 | C49 | 58.2° | 59.9° |
| H451 | C45 | C47 | H471 | 178.2° | 177.6° |
| H451 | C45 | C47 | H472 | 61.9° | 60.5° |
| H452 | C45 | C47 | C49 | 61.6° | 57.7° |
| H452 | C45 | C47 | H471 | 58.4° | 64.8° |
| H452 | C45 | C47 | H472 | 178.3° | 178.1° |
| C49 | C47 | H471 | H472 | 120.1° | 117.5° |
| C47 | C49 | N54 | H491 | 120.0° | 120.9° |
| C47 | C49 | N54 | H492 | 119.8° | 123.0° |
| C47 | C49 | H491 | H492 | 119.8° | 121.6° |
| C47 | C49 | N54 | H541 | 173.6° | 50.8° |
| C47 | C49 | N54 | H542 | 53.5° | 142.6° |
| H471 | C47 | C49 | N54 | 60.7° | 58.3° |
| H471 | C47 | C49 | H491 | 179.3° | 177.5° |
| H471 | C47 | C49 | H492 | 59.1° | 62.8° |
| H472 | C47 | C49 | N54 | 59.2° | 58.3° |
| H472 | C47 | C49 | H491 | 60.8° | 60.8° |
| H472 | C47 | C49 | H492 | 179.0° | 179.4° |
| N54 | C49 | H491 | H492 | 119.8° | 115.9° |
| C49 | N54 | H541 | H542 | 120.0° | 166.6° |
| H491 | C49 | N54 | H541 | 53.6° | 70.2° |
| H491 | C49 | N54 | H542 | 66.5° | 96.5° |
| H492 | C49 | N54 | H541 | 66.6° | 173.8° |
| H492 | C49 | N54 | H542 | 173.4° | 19.6° |
| O58 | P60 | O66 | O62 | 122.1° | 120.1° |
| O58 | P60 | O66 | O64 | 122.9° | 119.5° |
| O58 | P60 | O62 | O64 | 121.2° | 107.2° |
| O58 | P60 | O62 | HO62 | 117.2° | 174.9° |
| O58 | P60 | O64 | HO64 | 123.7° | 174.3° |
| O66 | P60 | O62 | O64 | 119.5° | 126.6° |
| O66 | P60 | O62 | HO62 | 123.4° | 48.7° |
| O66 | P60 | O64 | HO64 | 3.2° | 48.4° |
| O62 | P60 | O64 | HO64 | 115.0° | 78.2° |
| O64 | P60 | O62 | HO62 | 3.9° | 77.9° |
