KT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2A | CD1 | sing | 1.39Å | 1.32Å | |
| N2A | CA2 | sing | 1.45Å | 85.07Å | |
| N2A | H2 | sing | 1.02Å | 1.00Å | |
| CD1 | OEB | doub | 1.23Å | 1.24Å | |
| CD1 | CG1 | sing | 1.52Å | 1.49Å | |
| CG1 | CB1 | sing | 1.53Å | 1.53Å | |
| CG1 | HG11 | sing | 1.10Å | 1.10Å | |
| CG1 | HG21 | sing | 1.10Å | 1.10Å | |
| CB1 | CA1 | sing | 1.53Å | 1.50Å | |
| CB1 | HB11 | sing | 1.10Å | 1.10Å | |
| CB1 | HB21 | sing | 1.10Å | 1.10Å | |
| CA1 | C1A | sing | 1.52Å | 1.59Å | |
| CA1 | N1A | sing | 1.44Å | 1.51Å | |
| CA1 | HA1A | sing | 1.09Å | 1.10Å | |
| C1A | O11 | sing | 1.36Å | 1.23Å | |
| C1A | O1A | doub | 1.22Å | 1.37Å | |
| O11 | HXT1 | sing | 0.98Å | 0.95Å | |
| N1A | C | sing | 1.39Å | 1.39Å | |
| N1A | H1 | sing | 1.02Å | 1.00Å | |
| C | O | doub | 1.23Å | 1.22Å | |
| C | C14 | sing | 1.49Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.49Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.51Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C11 | doub | 1.39Å | 1.47Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C13 | C12 | doub | 1.39Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C12 | C11 | sing | 1.40Å | 1.54Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C11 | C10 | sing | 1.49Å | 1.63Å | |
| C10 | C5 | sing | 1.57Å | 1.60Å | |
| C10 | C1 | sing | 1.57Å | 1.55Å | |
| C10 | H10 | sing | 1.11Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | OA2 | sing | 1.43Å | 1.17Å | |
| C5 | OA1 | sing | 1.43Å | 1.59Å | |
| C6 | F2 | sing | 1.35Å | 1.39Å | |
| C6 | F1 | sing | 1.35Å | 1.34Å | |
| C6 | F3 | sing | 1.35Å | 1.34Å | |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| OA1 | HA1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.54Å | 1.67Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12A | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C7 | doub | 1.37Å | 1.47Å | Aromatic |
| C4 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | N8 | sing | 1.42Å | 1.37Å | |
| C7 | N1 | sing | 1.35Å | 1.45Å | Aromatic |
| N8 | HN81 | sing | 1.00Å | 1.00Å | |
| N8 | HN82 | sing | 1.00Å | 1.00Å | |
| C9 | O1 | sing | 1.37Å | 1.40Å | |
| C9 | N3 | doub | 1.35Å | 1.61Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N3 | C8 | sing | 1.35Å | 1.36Å | Aromatic |
| C8 | N2 | sing | 1.41Å | 1.34Å | |
| C8 | N1 | doub | 1.35Å | 1.30Å | Aromatic |
| N2 | HN21 | sing | 1.00Å | 1.00Å | |
| N2 | HN22 | sing | 1.00Å | 1.00Å | |
| OEN | CD3 | sing | 1.36Å | 0.00Å | |
| OEN | HE23 | sing | 0.98Å | 0.00Å | |
| OED | CD3 | doub | 1.22Å | 0.00Å | |
| CD3 | CG3 | sing | 1.51Å | 0.00Å | |
| CG3 | CB3 | sing | 1.53Å | 0.00Å | |
| CG3 | HG13 | sing | 1.10Å | 0.00Å | |
| CG3 | HG23 | sing | 1.10Å | 0.00Å | |
| CB3 | CA3 | sing | 1.54Å | 0.00Å | |
| CB3 | HB13 | sing | 1.10Å | 0.00Å | |
| CB3 | HB23 | sing | 1.10Å | 0.00Å | |
| CA3 | C3A | sing | 1.52Å | 0.00Å | |
| CA3 | N3A | sing | 1.44Å | 0.00Å | |
| CA3 | HA3 | sing | 1.10Å | 0.00Å | |
| C3A | O3 | doub | 1.22Å | 0.00Å | |
| C3A | O12 | sing | 1.36Å | 0.00Å | |
| O12 | HXT3 | sing | 0.98Å | 0.00Å | |
| N3A | CD2 | sing | 1.39Å | 0.00Å | |
| N3A | H3 | sing | 1.02Å | 0.00Å | |
| OEC | CD2 | doub | 1.23Å | 0.00Å | |
| CD2 | CG2 | sing | 1.52Å | 0.00Å | |
| CG2 | CB2 | sing | 1.53Å | 0.00Å | |
| CG2 | HG12 | sing | 1.10Å | 0.00Å | |
| CG2 | HG22 | sing | 1.10Å | 0.00Å | |
| CB2 | CA2 | sing | 1.53Å | 0.00Å | |
| CB2 | HB12 | sing | 1.10Å | 0.00Å | |
| CB2 | HB22 | sing | 1.10Å | 0.00Å | |
| CA2 | C2A | sing | 1.52Å | 0.00Å | |
| CA2 | HA2A | sing | 1.09Å | 0.00Å | |
| C2A | O2 | doub | 1.22Å | 0.00Å | |
| C2A | O13 | sing | 1.36Å | 0.00Å | |
| O13 | HXT2 | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | N2A | CA2 | 60.8° | 122.7° |
| CD1 | N2A | H2 | 149.6° | 118.7° |
| N2A | CD1 | OEB | 125.4° | 125.0° |
| N2A | CD1 | CG1 | 110.4° | 111.6° |
| CA2 | N2A | H2 | 149.6° | 118.6° |
| N2A | CA2 | CB2 | 90.0° | 112.4° |
| N2A | CA2 | C2A | 90.0° | 106.5° |
| N2A | CA2 | HA2A | 90.0° | 106.0° |
| OEB | CD1 | CG1 | 124.2° | 123.3° |
| CD1 | CG1 | CB1 | 116.0° | 113.6° |
| CD1 | CG1 | HG11 | 107.4° | 109.3° |
| CD1 | CG1 | HG21 | 105.9° | 106.9° |
| CB1 | CG1 | HG11 | 107.3° | 110.7° |
| CB1 | CG1 | HG21 | 105.9° | 108.7° |
| CG1 | CB1 | CA1 | 116.2° | 113.4° |
| CG1 | CB1 | HB11 | 107.3° | 108.4° |
| CG1 | CB1 | HB21 | 105.8° | 109.6° |
| HG11 | CG1 | HG21 | 114.7° | 107.3° |
| CA1 | CB1 | HB11 | 107.3° | 109.3° |
| CA1 | CB1 | HB21 | 105.7° | 109.8° |
| CB1 | CA1 | C1A | 115.1° | 110.3° |
| CB1 | CA1 | N1A | 104.6° | 112.4° |
| CB1 | CA1 | HA1A | 108.8° | 112.2° |
| HB11 | CB1 | HB21 | 114.9° | 106.1° |
| C1A | CA1 | N1A | 108.7° | 106.5° |
| C1A | CA1 | HA1A | 104.7° | 109.2° |
| CA1 | C1A | O11 | 119.7° | 111.8° |
| CA1 | C1A | O1A | 120.0° | 125.3° |
| N1A | CA1 | HA1A | 115.2° | 106.0° |
| CA1 | N1A | C | 127.2° | 122.6° |
| CA1 | N1A | H1 | 116.4° | 117.3° |
| O11 | C1A | O1A | 120.3° | 122.9° |
| C1A | O11 | HXT1 | 109.5° | 115.2° |
| C | N1A | H1 | 116.4° | 120.0° |
| N1A | C | O | 123.9° | 124.8° |
| N1A | C | C14 | 114.4° | 116.0° |
| O | C | C14 | 121.6° | 119.2° |
| C | C14 | C15 | 119.3° | 118.8° |
| C | C14 | C13 | 119.6° | 118.9° |
| C15 | C14 | C13 | 120.9° | 122.3° |
| C14 | C15 | C16 | 118.9° | 118.9° |
| C14 | C15 | H15 | 120.6° | 121.8° |
| C14 | C13 | C12 | 120.2° | 118.8° |
| C14 | C13 | H13 | 119.9° | 121.8° |
| C16 | C15 | H15 | 120.5° | 119.3° |
| C15 | C16 | C11 | 122.5° | 120.0° |
| C15 | C16 | H16 | 118.7° | 119.5° |
| C11 | C16 | H16 | 118.8° | 120.5° |
| C16 | C11 | C12 | 120.4° | 120.0° |
| C16 | C11 | C10 | 106.7° | 120.0° |
| C12 | C13 | H13 | 119.9° | 119.4° |
| C13 | C12 | C11 | 117.0° | 120.0° |
| C13 | C12 | H12 | 121.5° | 119.4° |
| C11 | C12 | H12 | 121.5° | 120.5° |
| C12 | C11 | C10 | 132.4° | 120.0° |
| C11 | C10 | C5 | 128.5° | 114.7° |
| C11 | C10 | C1 | 115.9° | 112.6° |
| C11 | C10 | H10 | 79.8° | 109.3° |
| C5 | C10 | C1 | 112.5° | 110.3° |
| C5 | C10 | H10 | 88.9° | 104.9° |
| C10 | C5 | C6 | 104.8° | 113.4° |
| C10 | C5 | OA2 | 125.0° | 107.9° |
| C10 | C5 | OA1 | 102.9° | 109.1° |
| C1 | C10 | H10 | 122.3° | 104.2° |
| C10 | C1 | C2 | 112.5° | 112.4° |
| C10 | C1 | H11 | 108.4° | 110.4° |
| C10 | C1 | H12A | 107.8° | 109.8° |
| C6 | C5 | OA2 | 120.0° | 107.8° |
| C6 | C5 | OA1 | 98.2° | 109.7° |
| C5 | C6 | F2 | 117.0° | 111.3° |
| C5 | C6 | F1 | 98.0° | 110.6° |
| C5 | C6 | F3 | 111.5° | 112.3° |
| OA2 | C5 | OA1 | 100.6° | 109.0° |
| C5 | OA2 | HA2 | 109.5° | 108.0° |
| C5 | OA1 | HA1 | 109.5° | 108.1° |
| F2 | C6 | F1 | 103.5° | 107.5° |
| F2 | C6 | F3 | 112.2° | 107.9° |
| F1 | C6 | F3 | 113.6° | 107.1° |
| C2 | C1 | H11 | 108.5° | 107.9° |
| C2 | C1 | H12A | 107.8° | 109.8° |
| C1 | C2 | C3 | 107.3° | 112.8° |
| C1 | C2 | H21 | 110.2° | 110.5° |
| C1 | C2 | H22 | 110.7° | 108.7° |
| H11 | C1 | H12A | 111.9° | 106.4° |
| C3 | C2 | H21 | 110.2° | 109.7° |
| C3 | C2 | H22 | 110.7° | 108.1° |
| C2 | C3 | C4 | 101.0° | 113.6° |
| C2 | C3 | H31 | 112.4° | 109.7° |
| C2 | C3 | H32 | 114.1° | 109.1° |
| H21 | C2 | H22 | 107.8° | 106.8° |
| C4 | C3 | H31 | 112.4° | 110.2° |
| C4 | C3 | H32 | 114.1° | 108.1° |
| C3 | C4 | C7 | 140.5° | 122.0° |
| C3 | C4 | C9 | 108.0° | 120.9° |
| H31 | C3 | H32 | 103.2° | 105.7° |
| C7 | C4 | C9 | 111.5° | 117.1° |
| C4 | C7 | N8 | 122.2° | 119.0° |
| C4 | C7 | N1 | 121.9° | 123.0° |
| C4 | C9 | O1 | 133.9° | 120.6° |
| C4 | C9 | N3 | 125.3° | 123.0° |
| N8 | C7 | N1 | 115.9° | 118.0° |
| C7 | N8 | HN81 | 109.5° | 118.8° |
| C7 | N8 | HN82 | 109.5° | 118.9° |
| C7 | N1 | C8 | 125.4° | 115.0° |
| HN81 | N8 | HN82 | 109.5° | 121.9° |
| O1 | C9 | N3 | 100.6° | 116.4° |
| C9 | O1 | HO1 | 109.5° | 109.7° |
| C9 | N3 | C8 | 115.6° | 115.0° |
| N3 | C8 | N2 | 121.8° | 116.5° |
| N3 | C8 | N1 | 120.2° | 126.9° |
| N2 | C8 | N1 | 117.7° | 116.5° |
| C8 | N2 | HN21 | 109.5° | 119.1° |
| C8 | N2 | HN22 | 109.5° | 119.1° |
| HN21 | N2 | HN22 | 109.5° | 121.5° |
| CD3 | OEN | HE23 | 90.0° | 115.2° |
| OEN | CD3 | OED | 90.0° | 123.3° |
| OEN | CD3 | CG3 | 90.0° | 112.7° |
| OED | CD3 | CG3 | 90.0° | 123.9° |
| CD3 | CG3 | CB3 | 90.0° | 113.9° |
| CD3 | CG3 | HG13 | 90.0° | 108.5° |
| CD3 | CG3 | HG23 | 90.0° | 107.4° |
| CB3 | CG3 | HG13 | 90.0° | 111.2° |
| CB3 | CG3 | HG23 | 90.0° | 109.7° |
| CG3 | CB3 | CA3 | 90.0° | 116.2° |
| CG3 | CB3 | HB13 | 90.0° | 109.8° |
| CG3 | CB3 | HB23 | 90.0° | 107.3° |
| HG13 | CG3 | HG23 | 90.0° | 105.7° |
| CA3 | CB3 | HB13 | 90.0° | 108.9° |
| CA3 | CB3 | HB23 | 90.0° | 108.3° |
| CB3 | CA3 | C3A | 90.0° | 112.2° |
| CB3 | CA3 | N3A | 90.0° | 112.1° |
| CB3 | CA3 | HA3 | 90.0° | 109.2° |
| HB13 | CB3 | HB23 | 90.0° | 105.9° |
| C3A | CA3 | N3A | 90.0° | 108.1° |
| C3A | CA3 | HA3 | 90.0° | 107.8° |
| CA3 | C3A | O3 | 90.0° | 125.5° |
| CA3 | C3A | O12 | 90.0° | 111.9° |
| N3A | CA3 | HA3 | 90.0° | 107.2° |
| CA3 | N3A | CD2 | 90.0° | 122.7° |
| CA3 | N3A | H3 | 90.0° | 118.6° |
| O3 | C3A | O12 | 90.0° | 122.6° |
| C3A | O12 | HXT3 | 90.0° | 115.3° |
| CD2 | N3A | H3 | 90.0° | 118.7° |
| N3A | CD2 | OEC | 90.0° | 125.1° |
| N3A | CD2 | CG2 | 90.0° | 111.6° |
| OEC | CD2 | CG2 | 90.0° | 123.3° |
| CD2 | CG2 | CB2 | 90.0° | 113.6° |
| CD2 | CG2 | HG12 | 90.0° | 109.4° |
| CD2 | CG2 | HG22 | 90.0° | 106.9° |
| CB2 | CG2 | HG12 | 90.0° | 110.7° |
| CB2 | CG2 | HG22 | 90.0° | 108.7° |
| CG2 | CB2 | CA2 | 90.0° | 113.4° |
| CG2 | CB2 | HB12 | 90.0° | 108.3° |
| CG2 | CB2 | HB22 | 90.0° | 109.5° |
| HG12 | CG2 | HG22 | 90.0° | 107.3° |
| CA2 | CB2 | HB12 | 90.0° | 109.3° |
| CA2 | CB2 | HB22 | 90.0° | 109.9° |
| CB2 | CA2 | C2A | 90.0° | 110.3° |
| CB2 | CA2 | HA2A | 90.0° | 112.3° |
| HB12 | CB2 | HB22 | 90.0° | 106.1° |
| C2A | CA2 | HA2A | 90.0° | 109.2° |
| CA2 | C2A | O2 | 90.0° | 125.3° |
| CA2 | C2A | O13 | 90.0° | 111.9° |
| O2 | C2A | O13 | 90.0° | 122.8° |
| C2A | O13 | HXT2 | 90.0° | 115.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | N2A | CA2 | H2 | 179.9° | 180.0° |
| N2A | CD1 | OEB | CG1 | 179.2° | 178.6° |
| N2A | CD1 | CG1 | CB1 | 147.4° | 150.0° |
| N2A | CD1 | CG1 | HG11 | 92.6° | 25.8° |
| N2A | CD1 | CG1 | HG21 | 30.4° | 90.1° |
| CD1 | N2A | CA2 | CB2 | 90.0° | 122.9° |
| CD1 | N2A | CA2 | C2A | 90.0° | 116.2° |
| CD1 | N2A | CA2 | HA2A | 90.0° | 0.0° |
| CA2 | N2A | CD1 | OEB | 50.3° | 0.0° |
| CA2 | N2A | CD1 | CG1 | 129.0° | 178.8° |
| N2A | CA2 | CB2 | CG2 | 90.0° | 60.3° |
| N2A | CA2 | CB2 | C2A | 90.0° | 118.7° |
| N2A | CA2 | CB2 | HA2A | 90.0° | 119.4° |
| N2A | CA2 | CB2 | HB12 | 90.0° | 178.7° |
| N2A | CA2 | CB2 | HB22 | 90.0° | 62.6° |
| N2A | CA2 | C2A | HA2A | 90.0° | 114.0° |
| N2A | CA2 | C2A | O2 | 90.0° | 36.0° |
| N2A | CA2 | C2A | O13 | 90.0° | 141.7° |
| H2 | N2A | CD1 | OEB | 129.6° | 180.0° |
| H2 | N2A | CD1 | CG1 | 51.1° | 1.3° |
| H2 | N2A | CA2 | CB2 | 90.0° | 57.1° |
| H2 | N2A | CA2 | C2A | 90.0° | 63.8° |
| H2 | N2A | CA2 | HA2A | 90.0° | 179.9° |
| OEB | CD1 | CG1 | CB1 | 33.3° | 31.2° |
| OEB | CD1 | CG1 | HG11 | 86.7° | 155.4° |
| OEB | CD1 | CG1 | HG21 | 150.3° | 88.7° |
| CD1 | CG1 | CB1 | HG11 | 120.0° | 123.5° |
| CD1 | CG1 | CB1 | HG21 | 117.0° | 118.9° |
| CD1 | CG1 | HG11 | HG21 | 117.3° | 115.6° |
| CD1 | CG1 | CB1 | CA1 | 179.0° | 58.4° |
| CD1 | CG1 | CB1 | HB11 | 59.0° | 180.0° |
| CD1 | CG1 | CB1 | HB21 | 64.1° | 64.6° |
| CB1 | CG1 | HG11 | HG21 | 117.3° | 118.5° |
| CG1 | CB1 | CA1 | HB11 | 120.0° | 121.0° |
| CG1 | CB1 | CA1 | HB21 | 117.0° | 122.9° |
| CG1 | CB1 | HB11 | HB21 | 117.3° | 117.6° |
| CG1 | CB1 | CA1 | C1A | 157.5° | 179.0° |
| CG1 | CB1 | CA1 | N1A | 83.3° | 62.3° |
| CG1 | CB1 | CA1 | HA1A | 40.3° | 57.1° |
| HG11 | CG1 | CB1 | CA1 | 61.0° | 65.0° |
| HG11 | CG1 | CB1 | HB11 | 179.0° | 56.5° |
| HG11 | CG1 | CB1 | HB21 | 55.9° | 171.9° |
| HG21 | CG1 | CB1 | CA1 | 61.9° | 177.3° |
| HG21 | CG1 | CB1 | HB11 | 58.1° | 61.1° |
| HG21 | CG1 | CB1 | HB21 | 178.9° | 54.3° |
| CA1 | CB1 | HB11 | HB21 | 117.2° | 118.3° |
| CB1 | CA1 | C1A | N1A | 116.9° | 122.2° |
| CB1 | CA1 | C1A | HA1A | 119.5° | 123.7° |
| CB1 | CA1 | N1A | HA1A | 119.4° | 122.9° |
| CB1 | CA1 | C1A | O11 | 90.5° | 91.4° |
| CB1 | CA1 | C1A | O1A | 89.4° | 86.3° |
| CB1 | CA1 | N1A | C | 110.4° | 122.9° |
| CB1 | CA1 | N1A | H1 | 69.6° | 53.0° |
| HB11 | CB1 | CA1 | C1A | 37.5° | 59.9° |
| HB11 | CB1 | CA1 | N1A | 156.7° | 58.7° |
| HB11 | CB1 | CA1 | HA1A | 79.7° | 178.1° |
| HB21 | CB1 | CA1 | C1A | 85.5° | 56.1° |
| HB21 | CB1 | CA1 | N1A | 33.7° | 174.8° |
| HB21 | CB1 | CA1 | HA1A | 157.3° | 65.9° |
| C1A | CA1 | N1A | HA1A | 117.1° | 116.2° |
| CA1 | C1A | O11 | O1A | 179.8° | 177.7° |
| CA1 | C1A | O11 | HXT1 | 179.8° | 177.7° |
| C1A | CA1 | N1A | C | 126.2° | 116.2° |
| C1A | CA1 | N1A | H1 | 53.8° | 67.8° |
| N1A | CA1 | C1A | O11 | 152.6° | 146.4° |
| N1A | CA1 | C1A | O1A | 27.5° | 35.9° |
| CA1 | N1A | C | H1 | 180.0° | 175.8° |
| CA1 | N1A | C | O | 3.4° | 0.0° |
| CA1 | N1A | C | C14 | 173.6° | 178.9° |
| HA1A | CA1 | C1A | O11 | 29.0° | 32.3° |
| HA1A | CA1 | C1A | O1A | 151.2° | 150.0° |
| HA1A | CA1 | N1A | C | 9.1° | 0.0° |
| HA1A | CA1 | N1A | H1 | 171.0° | 175.9° |
| O1A | C1A | O11 | HXT1 | 0.0° | 0.0° |
| N1A | C | O | C14 | 176.8° | 178.9° |
| N1A | C | C14 | C15 | 22.3° | 153.1° |
| N1A | C | C14 | C13 | 152.8° | 26.9° |
| H1 | N1A | C | O | 176.7° | 175.8° |
| H1 | N1A | C | C14 | 6.4° | 3.1° |
| O | C | C14 | C15 | 154.8° | 25.9° |
| O | C | C14 | C13 | 30.2° | 154.1° |
| C | C14 | C15 | C13 | 175.0° | 180.0° |
| C | C14 | C15 | C16 | 173.8° | 180.0° |
| C | C14 | C15 | H15 | 6.2° | 0.1° |
| C | C14 | C13 | C12 | 174.3° | 180.0° |
| C | C14 | C13 | H13 | 5.7° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 1.1° | 0.0° |
| C14 | C15 | C16 | H16 | 178.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C15 | C14 | C13 | H13 | 179.3° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.0° |
| C13 | C14 | C15 | H15 | 178.9° | 179.9° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.6° | 0.0° |
| C15 | C16 | C11 | C10 | 172.9° | 180.0° |
| H15 | C15 | C16 | C11 | 178.9° | 180.0° |
| H15 | C15 | C16 | H16 | 1.1° | 0.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.0° |
| C16 | C11 | C12 | C10 | 171.5° | 179.9° |
| C16 | C11 | C12 | H12 | 179.9° | 180.0° |
| C16 | C11 | C10 | C5 | 124.7° | 117.4° |
| C16 | C11 | C10 | C1 | 76.6° | 115.3° |
| C16 | C11 | C10 | H10 | 44.4° | 0.0° |
| H16 | C16 | C11 | C12 | 179.4° | 179.9° |
| H16 | C16 | C11 | C10 | 7.1° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 171.4° | 180.0° |
| H13 | C13 | C12 | C11 | 179.9° | 180.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.1° |
| C12 | C11 | C10 | C5 | 47.6° | 62.6° |
| C12 | C11 | C10 | C1 | 111.0° | 64.6° |
| C12 | C11 | C10 | H10 | 127.9° | 180.0° |
| H12 | C12 | C11 | C10 | 8.6° | 0.0° |
| C11 | C10 | C5 | C1 | 159.2° | 128.4° |
| C11 | C10 | C5 | H10 | 76.0° | 119.9° |
| C11 | C10 | C1 | H10 | 94.3° | 118.4° |
| C11 | C10 | C5 | C6 | 87.0° | 60.0° |
| C11 | C10 | C5 | OA2 | 128.4° | 179.2° |
| C11 | C10 | C5 | OA1 | 15.3° | 62.6° |
| C11 | C10 | C1 | C2 | 61.8° | 59.4° |
| C11 | C10 | C1 | H11 | 58.2° | 180.0° |
| C11 | C10 | C1 | H12A | 179.5° | 63.1° |
| C5 | C10 | C1 | H10 | 103.7° | 112.1° |
| C10 | C5 | C6 | OA2 | 146.8° | 119.3° |
| C10 | C5 | C6 | OA1 | 105.8° | 122.2° |
| C10 | C5 | OA2 | OA1 | 114.2° | 118.3° |
| C10 | C5 | C6 | F2 | 52.4° | 60.0° |
| C10 | C5 | C6 | F1 | 57.2° | 59.4° |
| C10 | C5 | C6 | F3 | 176.5° | 178.9° |
| C10 | C5 | OA2 | HA2 | 167.0° | 158.1° |
| C10 | C5 | OA1 | HA1 | 56.9° | 156.4° |
| C5 | C10 | C1 | C2 | 100.3° | 171.0° |
| C5 | C10 | C1 | H11 | 139.7° | 50.5° |
| C5 | C10 | C1 | H12A | 18.4° | 66.5° |
| C1 | C10 | C5 | C6 | 113.8° | 171.6° |
| C1 | C10 | C5 | OA2 | 30.9° | 52.4° |
| C1 | C10 | C5 | OA1 | 144.0° | 65.9° |
| C10 | C1 | C2 | H11 | 120.0° | 122.0° |
| C10 | C1 | C2 | H12A | 118.7° | 122.5° |
| C10 | C1 | H11 | H12A | 118.8° | 119.0° |
| C10 | C1 | C2 | C3 | 166.0° | 178.0° |
| C10 | C1 | C2 | H21 | 46.0° | 54.8° |
| C10 | C1 | C2 | H22 | 73.1° | 62.0° |
| H10 | C10 | C5 | C6 | 11.0° | 60.0° |
| H10 | C10 | C5 | OA2 | 155.6° | 59.3° |
| H10 | C10 | C5 | OA1 | 91.3° | 177.5° |
| H10 | C10 | C1 | C2 | 156.1° | 58.9° |
| H10 | C10 | C1 | H11 | 36.1° | 61.6° |
| H10 | C10 | C1 | H12A | 85.2° | 178.6° |
| C6 | C5 | OA2 | OA1 | 106.1° | 118.9° |
| C5 | C6 | F2 | F1 | 106.4° | 121.2° |
| C5 | C6 | F2 | F3 | 130.8° | 123.6° |
| C5 | C6 | F1 | F3 | 117.8° | 122.6° |
| C6 | C5 | OA2 | HA2 | 27.2° | 35.3° |
| C6 | C5 | OA1 | HA1 | 164.2° | 31.7° |
| OA2 | C5 | C6 | F2 | 160.7° | 179.3° |
| OA2 | C5 | C6 | F1 | 89.6° | 59.9° |
| OA2 | C5 | C6 | F3 | 29.7° | 59.6° |
| OA2 | C5 | OA1 | HA1 | 73.1° | 86.0° |
| OA1 | C5 | C6 | F2 | 53.3° | 62.2° |
| OA1 | C5 | C6 | F1 | 163.0° | 178.4° |
| OA1 | C5 | C6 | F3 | 77.7° | 58.9° |
| OA1 | C5 | OA2 | HA2 | 78.9° | 83.6° |
| F2 | C6 | F1 | F3 | 121.9° | 115.7° |
| C2 | C1 | H11 | H12A | 118.7° | 117.7° |
| C1 | C2 | C3 | H21 | 120.0° | 123.6° |
| C1 | C2 | C3 | H22 | 120.8° | 120.3° |
| C1 | C2 | H21 | H22 | 120.9° | 118.1° |
| C1 | C2 | C3 | C4 | 129.4° | 176.4° |
| C1 | C2 | C3 | H31 | 9.4° | 59.7° |
| C1 | C2 | C3 | H32 | 107.6° | 55.7° |
| H11 | C1 | C2 | C3 | 74.0° | 60.0° |
| H11 | C1 | C2 | H21 | 166.0° | 176.8° |
| H11 | C1 | C2 | H22 | 46.9° | 60.0° |
| H12A | C1 | C2 | C3 | 47.3° | 55.5° |
| H12A | C1 | C2 | H21 | 72.7° | 67.7° |
| H12A | C1 | C2 | H22 | 168.2° | 175.5° |
| C3 | C2 | H21 | H22 | 120.9° | 116.9° |
| C2 | C3 | C4 | H31 | 120.0° | 123.6° |
| C2 | C3 | C4 | H32 | 123.0° | 121.3° |
| C2 | C3 | H31 | H32 | 123.4° | 117.6° |
| C2 | C3 | C4 | C7 | 88.7° | 90.0° |
| C2 | C3 | C4 | C9 | 88.1° | 89.9° |
| H21 | C2 | C3 | C4 | 110.6° | 60.0° |
| H21 | C2 | C3 | H31 | 129.4° | 63.9° |
| H21 | C2 | C3 | H32 | 12.3° | 179.3° |
| H22 | C2 | C3 | C4 | 8.6° | 56.1° |
| H22 | C2 | C3 | H31 | 111.4° | 180.0° |
| H22 | C2 | C3 | H32 | 131.5° | 64.6° |
| C4 | C3 | H31 | H32 | 123.4° | 116.6° |
| C3 | C4 | C7 | C9 | 176.7° | 179.9° |
| C3 | C4 | C7 | N8 | 3.5° | 0.1° |
| C3 | C4 | C7 | N1 | 175.2° | 180.0° |
| C3 | C4 | C9 | O1 | 11.3° | 0.1° |
| C3 | C4 | C9 | N3 | 176.0° | 180.0° |
| H31 | C3 | C4 | C7 | 31.3° | 146.4° |
| H31 | C3 | C4 | C9 | 151.9° | 33.7° |
| H32 | C3 | C4 | C7 | 148.4° | 31.3° |
| H32 | C3 | C4 | C9 | 34.9° | 148.8° |
| C4 | C7 | N8 | N1 | 178.8° | 179.9° |
| C4 | C7 | N8 | HN81 | 163.1° | 155.8° |
| C4 | C7 | N8 | HN82 | 76.9° | 17.9° |
| C7 | C4 | C9 | O1 | 170.9° | 180.0° |
| C7 | C4 | C9 | N3 | 1.8° | 0.1° |
| C4 | C7 | N1 | C8 | 0.6° | 0.1° |
| C9 | C4 | C7 | N8 | 179.7° | 180.0° |
| C9 | C4 | C7 | N1 | 1.5° | 0.1° |
| C4 | C9 | O1 | N3 | 174.0° | 179.9° |
| C4 | C9 | O1 | HO1 | 25.8° | 160.4° |
| C4 | C9 | N3 | C8 | 1.2° | 0.1° |
| C7 | N8 | HN81 | HN82 | 120.0° | 173.5° |
| N8 | C7 | N1 | C8 | 179.4° | 180.0° |
| N1 | C7 | N8 | HN81 | 18.1° | 24.1° |
| N1 | C7 | N8 | HN82 | 101.9° | 162.2° |
| C7 | N1 | C8 | N3 | 0.3° | 0.0° |
| C7 | N1 | C8 | N2 | 174.0° | 180.0° |
| O1 | C9 | N3 | C8 | 173.5° | 180.0° |
| N3 | C9 | O1 | HO1 | 160.2° | 19.5° |
| C9 | N3 | C8 | N2 | 174.0° | 180.0° |
| C9 | N3 | C8 | N1 | 0.0° | 0.0° |
| N3 | C8 | N2 | N1 | 174.1° | 180.0° |
| N3 | C8 | N2 | HN21 | 88.3° | 102.9° |
| N3 | C8 | N2 | HN22 | 31.7° | 83.5° |
| C8 | N2 | HN21 | HN22 | 120.0° | 173.5° |
| N1 | C8 | N2 | HN21 | 97.6° | 77.1° |
| N1 | C8 | N2 | HN22 | 142.4° | 96.5° |
| OEN | CD3 | OED | CG3 | 90.0° | 179.3° |
| OEN | CD3 | CG3 | CB3 | 90.0° | 176.1° |
| OEN | CD3 | CG3 | HG13 | 90.0° | 59.4° |
| OEN | CD3 | CG3 | HG23 | 90.0° | 54.4° |
| HE23 | OEN | CD3 | OED | 90.0° | 0.0° |
| HE23 | OEN | CD3 | CG3 | 90.0° | 179.4° |
| OED | CD3 | CG3 | CB3 | 90.0° | 4.5° |
| OED | CD3 | CG3 | HG13 | 90.0° | 120.0° |
| OED | CD3 | CG3 | HG23 | 90.0° | 126.2° |
| CD3 | CG3 | CB3 | HG13 | 90.0° | 123.0° |
| CD3 | CG3 | CB3 | HG23 | 90.0° | 120.4° |
| CD3 | CG3 | HG13 | HG23 | 90.0° | 114.9° |
| CD3 | CG3 | CB3 | CA3 | 90.0° | 176.0° |
| CD3 | CG3 | CB3 | HB13 | 90.0° | 60.0° |
| CD3 | CG3 | CB3 | HB23 | 90.0° | 54.7° |
| CB3 | CG3 | HG13 | HG23 | 90.0° | 119.0° |
| CG3 | CB3 | CA3 | HB13 | 90.0° | 124.5° |
| CG3 | CB3 | CA3 | HB23 | 90.0° | 120.8° |
| CG3 | CB3 | HB13 | HB23 | 90.0° | 115.5° |
| CG3 | CB3 | CA3 | C3A | 90.0° | 64.6° |
| CG3 | CB3 | CA3 | N3A | 90.0° | 57.4° |
| CG3 | CB3 | CA3 | HA3 | 90.0° | 176.0° |
| HG13 | CG3 | CB3 | CA3 | 90.0° | 61.0° |
| HG13 | CG3 | CB3 | HB13 | 90.0° | 63.1° |
| HG13 | CG3 | CB3 | HB23 | 90.0° | 177.7° |
| HG23 | CG3 | CB3 | CA3 | 90.0° | 55.6° |
| HG23 | CG3 | CB3 | HB13 | 90.0° | 179.6° |
| HG23 | CG3 | CB3 | HB23 | 90.0° | 65.7° |
| CA3 | CB3 | HB13 | HB23 | 90.0° | 116.2° |
| CB3 | CA3 | C3A | N3A | 90.0° | 124.2° |
| CB3 | CA3 | C3A | HA3 | 90.0° | 120.3° |
| CB3 | CA3 | N3A | HA3 | 90.0° | 119.9° |
| CB3 | CA3 | C3A | O3 | 90.0° | 60.3° |
| CB3 | CA3 | C3A | O12 | 90.0° | 119.6° |
| CB3 | CA3 | N3A | CD2 | 90.0° | 89.9° |
| CB3 | CA3 | N3A | H3 | 90.0° | 90.2° |
| HB13 | CB3 | CA3 | C3A | 90.0° | 60.0° |
| HB13 | CB3 | CA3 | N3A | 90.0° | 178.1° |
| HB13 | CB3 | CA3 | HA3 | 90.0° | 59.5° |
| HB23 | CB3 | CA3 | C3A | 90.0° | 174.7° |
| HB23 | CB3 | CA3 | N3A | 90.0° | 63.4° |
| HB23 | CB3 | CA3 | HA3 | 90.0° | 55.2° |
| C3A | CA3 | N3A | HA3 | 90.0° | 115.9° |
| CA3 | C3A | O3 | O12 | 90.0° | 179.9° |
| CA3 | C3A | O12 | HXT3 | 90.0° | 179.9° |
| C3A | CA3 | N3A | CD2 | 90.0° | 145.9° |
| C3A | CA3 | N3A | H3 | 90.0° | 34.1° |
| N3A | CA3 | C3A | O3 | 90.0° | 175.6° |
| N3A | CA3 | C3A | O12 | 90.0° | 4.6° |
| CA3 | N3A | CD2 | H3 | 90.0° | 179.9° |
| CA3 | N3A | CD2 | OEC | 90.0° | 0.1° |
| CA3 | N3A | CD2 | CG2 | 90.0° | 178.8° |
| HA3 | CA3 | C3A | O3 | 90.0° | 60.0° |
| HA3 | CA3 | C3A | O12 | 90.0° | 120.1° |
| HA3 | CA3 | N3A | CD2 | 90.0° | 29.9° |
| HA3 | CA3 | N3A | H3 | 90.0° | 150.0° |
| O3 | C3A | O12 | HXT3 | 90.0° | 0.0° |
| N3A | CD2 | OEC | CG2 | 90.0° | 178.5° |
| N3A | CD2 | CG2 | CB2 | 90.0° | 150.0° |
| N3A | CD2 | CG2 | HG12 | 90.0° | 85.8° |
| N3A | CD2 | CG2 | HG22 | 90.0° | 30.1° |
| H3 | N3A | CD2 | OEC | 90.0° | 180.0° |
| H3 | N3A | CD2 | CG2 | 90.0° | 1.3° |
| OEC | CD2 | CG2 | CB2 | 90.0° | 28.7° |
| OEC | CD2 | CG2 | HG12 | 90.0° | 95.5° |
| OEC | CD2 | CG2 | HG22 | 90.0° | 148.6° |
| CD2 | CG2 | CB2 | HG12 | 90.0° | 123.5° |
| CD2 | CG2 | CB2 | HG22 | 90.0° | 118.9° |
| CD2 | CG2 | HG12 | HG22 | 90.0° | 115.6° |
| CD2 | CG2 | CB2 | CA2 | 90.0° | 61.5° |
| CD2 | CG2 | CB2 | HB12 | 90.0° | 60.0° |
| CD2 | CG2 | CB2 | HB22 | 90.0° | 175.4° |
| CB2 | CG2 | HG12 | HG22 | 90.0° | 118.5° |
| CG2 | CB2 | CA2 | HB12 | 90.0° | 121.0° |
| CG2 | CB2 | CA2 | HB22 | 90.0° | 122.9° |
| CG2 | CB2 | HB12 | HB22 | 90.0° | 117.5° |
| CG2 | CB2 | CA2 | C2A | 90.0° | 178.9° |
| CG2 | CB2 | CA2 | HA2A | 90.0° | 59.1° |
| HG12 | CG2 | CB2 | CA2 | 90.0° | 175.0° |
| HG12 | CG2 | CB2 | HB12 | 90.0° | 63.5° |
| HG12 | CG2 | CB2 | HB22 | 90.0° | 51.8° |
| HG22 | CG2 | CB2 | CA2 | 90.0° | 57.3° |
| HG22 | CG2 | CB2 | HB12 | 90.0° | 178.9° |
| HG22 | CG2 | CB2 | HB22 | 90.0° | 65.8° |
| CA2 | CB2 | HB12 | HB22 | 90.0° | 118.4° |
| CB2 | CA2 | C2A | HA2A | 90.0° | 123.8° |
| CB2 | CA2 | C2A | O2 | 90.0° | 86.2° |
| CB2 | CA2 | C2A | O13 | 90.0° | 96.1° |
| HB12 | CB2 | CA2 | C2A | 90.0° | 60.1° |
| HB12 | CB2 | CA2 | HA2A | 90.0° | 61.9° |
| HB22 | CB2 | CA2 | C2A | 90.0° | 56.0° |
| HB22 | CB2 | CA2 | HA2A | 90.0° | 178.0° |
| CA2 | C2A | O2 | O13 | 90.0° | 177.5° |
| CA2 | C2A | O13 | HXT2 | 90.0° | 177.7° |
| HA2A | CA2 | C2A | O2 | 90.0° | 150.0° |
| HA2A | CA2 | C2A | O13 | 90.0° | 27.7° |
| O2 | C2A | O13 | HXT2 | 90.0° | 0.1° |
