6LA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAB | sing | 1.53Å | 1.50Å | |
| OAN | CAL | doub | 1.21Å | 1.24Å | |
| O6 | CAB | sing | 1.43Å | 1.43Å | |
| O6 | C6 | sing | 1.43Å | 1.45Å | |
| CAB | CAL | sing | 1.51Å | 1.47Å | |
| CAB | O4 | sing | 1.43Å | 1.33Å | |
| CAL | OAM | sing | 1.34Å | 1.26Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| O4 | C4 | sing | 1.43Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| O5 | C1 | sing | 1.43Å | 1.32Å | |
| C3 | O3 | sing | 1.43Å | 1.39Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | N2 | sing | 1.47Å | 1.55Å | |
| N2 | C7 | sing | 1.35Å | 1.51Å | |
| O1 | CAU | sing | 1.43Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C7 | O7 | doub | 1.21Å | 1.24Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| OAM | H12 | sing | 0.97Å | 0.95Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| CAU | H17 | sing | 1.09Å | 1.10Å | |
| CAU | H18 | sing | 1.09Å | 1.10Å | |
| CAU | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAB | O6 | 110.6° | 109.3° |
| CAK | CAB | CAL | 108.7° | 109.4° |
| CAK | CAB | O4 | 106.1° | 109.4° |
| CAB | CAK | H9 | 109.5° | 109.5° |
| CAB | CAK | H10 | 109.5° | 109.4° |
| CAB | CAK | H11 | 109.5° | 109.5° |
| OAN | CAL | CAB | 114.2° | 120.0° |
| OAN | CAL | OAM | 127.9° | 120.0° |
| CAB | O6 | C6 | 118.3° | 114.4° |
| O6 | CAB | CAL | 111.2° | 109.4° |
| O6 | CAB | O4 | 113.4° | 110.1° |
| O6 | C6 | C5 | 103.8° | 108.3° |
| O6 | C6 | H13 | 110.9° | 109.7° |
| O6 | C6 | H14 | 110.9° | 109.7° |
| CAL | CAB | O4 | 106.6° | 109.3° |
| CAB | CAL | OAM | 118.0° | 120.0° |
| CAB | O4 | C4 | 110.9° | 113.1° |
| CAL | OAM | H12 | 109.5° | 117.0° |
| C6 | C5 | C4 | 110.5° | 108.5° |
| C6 | C5 | O5 | 107.9° | 111.2° |
| C5 | C6 | H13 | 110.8° | 109.7° |
| C5 | C6 | H14 | 110.9° | 109.7° |
| C6 | C5 | H15 | 109.6° | 109.5° |
| O4 | C4 | C5 | 105.9° | 108.6° |
| O4 | C4 | C3 | 114.7° | 111.2° |
| O4 | C4 | H8 | 110.0° | 109.5° |
| C4 | C5 | O5 | 107.0° | 108.9° |
| C5 | C4 | C3 | 106.4° | 108.6° |
| C5 | C4 | H8 | 109.5° | 109.4° |
| C4 | C5 | H15 | 109.8° | 109.4° |
| C5 | O5 | C1 | 120.7° | 113.3° |
| O5 | C5 | H15 | 112.1° | 109.3° |
| C4 | C3 | O3 | 111.6° | 109.6° |
| C4 | C3 | C2 | 104.4° | 108.4° |
| C4 | C3 | H6 | 109.0° | 109.8° |
| C3 | C4 | H8 | 110.1° | 109.5° |
| O5 | C1 | C2 | 107.0° | 110.1° |
| O5 | C1 | O1 | 88.5° | 109.3° |
| O5 | C1 | H16 | 117.4° | 109.3° |
| O3 | C3 | C2 | 112.7° | 109.7° |
| O3 | C3 | H6 | 110.5° | 109.7° |
| C3 | O3 | H7 | 109.5° | 113.9° |
| C3 | C2 | C1 | 106.9° | 109.7° |
| C3 | C2 | N2 | 121.2° | 109.5° |
| C3 | C2 | H5 | 104.4° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.7° |
| C2 | C1 | O1 | 113.2° | 109.4° |
| C1 | C2 | N2 | 113.8° | 109.4° |
| C1 | C2 | H5 | 104.5° | 109.4° |
| C2 | C1 | H16 | 113.3° | 109.4° |
| C1 | O1 | CAU | 112.5° | 114.0° |
| O1 | C1 | H16 | 114.8° | 109.3° |
| C2 | N2 | C7 | 116.2° | 120.1° |
| C2 | N2 | H4 | 121.9° | 119.9° |
| N2 | C2 | H5 | 104.3° | 109.4° |
| N2 | C7 | C8 | 123.1° | 120.0° |
| N2 | C7 | O7 | 125.0° | 119.9° |
| C7 | N2 | H4 | 121.9° | 120.0° |
| O1 | CAU | H17 | 109.5° | 109.5° |
| O1 | CAU | H18 | 109.4° | 109.4° |
| O1 | CAU | H19 | 109.5° | 109.4° |
| C8 | C7 | O7 | 111.8° | 120.0° |
| C7 | C8 | H1 | 109.5° | 109.5° |
| C7 | C8 | H2 | 109.5° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.5° | 109.4° |
| H2 | C8 | H3 | 109.4° | 109.5° |
| H9 | CAK | H10 | 109.5° | 109.5° |
| H9 | CAK | H11 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.4° |
| H13 | C6 | H14 | 109.5° | 109.8° |
| H17 | CAU | H18 | 109.5° | 109.5° |
| H17 | CAU | H19 | 109.5° | 109.5° |
| H18 | CAU | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAB | CAL | OAN | 101.5° | 124.7° |
| CAK | CAB | O6 | CAL | 120.9° | 119.7° |
| CAK | CAB | O6 | O4 | 119.1° | 120.1° |
| CAK | CAB | O6 | C6 | 175.3° | 177.4° |
| CAK | CAB | CAL | O4 | 114.0° | 119.7° |
| CAK | CAB | CAL | OAM | 78.5° | 55.2° |
| CAK | CAB | O4 | C4 | 179.8° | 178.0° |
| CAB | CAK | H9 | H10 | 120.0° | 120.0° |
| CAB | CAK | H9 | H11 | 120.0° | 120.0° |
| CAB | CAK | H10 | H11 | 120.0° | 119.9° |
| OAN | CAL | CAB | O6 | 20.5° | 115.6° |
| OAN | CAL | CAB | OAM | 180.0° | 180.0° |
| OAN | CAL | CAB | O4 | 144.5° | 5.0° |
| OAN | CAL | OAM | H12 | 0.0° | 0.0° |
| O6 | CAB | CAL | O4 | 124.0° | 120.6° |
| O6 | CAB | CAL | OAM | 159.5° | 64.4° |
| CAB | O6 | C6 | C5 | 51.3° | 57.3° |
| O6 | CAB | O4 | C4 | 58.2° | 58.0° |
| O6 | CAB | CAK | H9 | 180.0° | 59.7° |
| O6 | CAB | CAK | H10 | 60.0° | 60.3° |
| O6 | CAB | CAK | H11 | 60.0° | 179.8° |
| CAB | O6 | C6 | H13 | 170.4° | 177.0° |
| CAB | O6 | C6 | H14 | 67.8° | 62.4° |
| C6 | O6 | CAB | CAL | 63.8° | 62.8° |
| C6 | O6 | CAB | O4 | 56.2° | 57.3° |
| O6 | C6 | C5 | H13 | 119.1° | 119.7° |
| O6 | C6 | C5 | H14 | 119.1° | 119.7° |
| O6 | C6 | C5 | C4 | 54.9° | 55.8° |
| O6 | C6 | C5 | O5 | 171.6° | 175.5° |
| O6 | C6 | H13 | H14 | 122.6° | 120.6° |
| O6 | C6 | C5 | H15 | 66.2° | 63.6° |
| CAL | CAB | O4 | C4 | 64.5° | 62.2° |
| CAL | CAB | CAK | H9 | 57.7° | 60.0° |
| CAL | CAB | CAK | H10 | 62.3° | 180.0° |
| CAL | CAB | CAK | H11 | 177.7° | 60.0° |
| CAB | CAL | OAM | H12 | 180.0° | 180.0° |
| O4 | CAB | CAL | OAM | 35.5° | 175.0° |
| CAB | O4 | C4 | C5 | 61.9° | 59.1° |
| CAB | O4 | C4 | C3 | 178.9° | 178.6° |
| CAB | O4 | C4 | H8 | 56.3° | 60.3° |
| O4 | CAB | CAK | H9 | 56.7° | 179.7° |
| O4 | CAB | CAK | H10 | 176.7° | 60.3° |
| O4 | CAB | CAK | H11 | 63.4° | 59.7° |
| C6 | C5 | C4 | O4 | 61.2° | 57.2° |
| C6 | C5 | C4 | O5 | 117.2° | 121.2° |
| C6 | C5 | C4 | H15 | 121.0° | 119.4° |
| C6 | C5 | O5 | H15 | 120.7° | 121.0° |
| C6 | C5 | C4 | C3 | 176.3° | 178.3° |
| C6 | C5 | O5 | C1 | 178.3° | 178.0° |
| C6 | C5 | C4 | H8 | 57.3° | 62.2° |
| C5 | C6 | H13 | H14 | 122.6° | 120.6° |
| O4 | C4 | C5 | C3 | 122.4° | 121.1° |
| O4 | C4 | C5 | H8 | 118.5° | 119.4° |
| O4 | C4 | C5 | O5 | 178.4° | 178.4° |
| O4 | C4 | C3 | H8 | 124.6° | 121.1° |
| O4 | C4 | C3 | O3 | 55.5° | 62.6° |
| O4 | C4 | C3 | C2 | 177.6° | 177.7° |
| O4 | C4 | C3 | H6 | 66.8° | 58.0° |
| O4 | C4 | C5 | H15 | 59.8° | 62.2° |
| C4 | C5 | O5 | H15 | 120.4° | 119.5° |
| C5 | C4 | C3 | H8 | 118.6° | 119.5° |
| C4 | C5 | O5 | C1 | 59.4° | 62.5° |
| C5 | C4 | C3 | O3 | 172.3° | 178.0° |
| C5 | C4 | C3 | C2 | 65.7° | 58.3° |
| C5 | C4 | C3 | H6 | 49.9° | 61.5° |
| C4 | C5 | C6 | H13 | 174.0° | 175.4° |
| C4 | C5 | C6 | H14 | 64.2° | 64.0° |
| O5 | C5 | C4 | C3 | 59.2° | 60.5° |
| C5 | O5 | C1 | C2 | 59.4° | 60.5° |
| C5 | O5 | C1 | O1 | 173.3° | 179.3° |
| O5 | C5 | C4 | H8 | 59.9° | 59.0° |
| O5 | C5 | C6 | H13 | 69.3° | 64.8° |
| O5 | C5 | C6 | H14 | 52.5° | 55.8° |
| C5 | O5 | C1 | H16 | 69.3° | 59.7° |
| C4 | C3 | O3 | C2 | 117.1° | 118.9° |
| C4 | C3 | O3 | H6 | 121.5° | 120.6° |
| C4 | C3 | C2 | H6 | 116.1° | 119.9° |
| C4 | C3 | C2 | C1 | 66.0° | 56.3° |
| C4 | C3 | C2 | N2 | 66.6° | 63.7° |
| C4 | C3 | C2 | H5 | 176.4° | 176.4° |
| C4 | C3 | O3 | H7 | 180.0° | 179.0° |
| C3 | C4 | C5 | H15 | 62.7° | 58.9° |
| O5 | C1 | C2 | C3 | 59.3° | 56.3° |
| O5 | C1 | C2 | O1 | 95.9° | 120.2° |
| O5 | C1 | C2 | H16 | 131.1° | 120.2° |
| O5 | C1 | O1 | H16 | 119.7° | 119.7° |
| O5 | C1 | C2 | N2 | 77.2° | 63.8° |
| O5 | C1 | O1 | CAU | 86.7° | 65.0° |
| O5 | C1 | C2 | H5 | 169.7° | 176.3° |
| C1 | O5 | C5 | H15 | 61.0° | 57.0° |
| O3 | C3 | C2 | H6 | 122.6° | 120.5° |
| O3 | C3 | C2 | C1 | 172.7° | 176.0° |
| O3 | C3 | C2 | N2 | 54.7° | 55.9° |
| O3 | C3 | C2 | H5 | 62.3° | 64.0° |
| O3 | C3 | C4 | H8 | 69.1° | 58.5° |
| C3 | C2 | C1 | N2 | 136.5° | 120.1° |
| C3 | C2 | C1 | H5 | 110.3° | 120.0° |
| C3 | C2 | C1 | O1 | 155.2° | 176.4° |
| C3 | C2 | N2 | H5 | 117.1° | 119.9° |
| C3 | C2 | N2 | C7 | 119.5° | 154.9° |
| C3 | C2 | N2 | H4 | 60.5° | 25.1° |
| C2 | C3 | O3 | H7 | 62.9° | 60.0° |
| C2 | C3 | C4 | H8 | 52.9° | 61.2° |
| C3 | C2 | C1 | H16 | 71.7° | 63.9° |
| C2 | C1 | O1 | H16 | 132.3° | 119.7° |
| C1 | C2 | N2 | H5 | 113.3° | 119.9° |
| C1 | C2 | N2 | C7 | 110.8° | 84.9° |
| C2 | C1 | O1 | CAU | 165.4° | 174.4° |
| C1 | C2 | N2 | H4 | 69.2° | 95.1° |
| C1 | C2 | C3 | H6 | 50.1° | 63.5° |
| O1 | C1 | C2 | N2 | 18.7° | 56.3° |
| O1 | C1 | C2 | H5 | 94.5° | 63.5° |
| C1 | O1 | CAU | H17 | 180.0° | 60.0° |
| C1 | O1 | CAU | H18 | 60.0° | 180.0° |
| C1 | O1 | CAU | H19 | 60.0° | 60.0° |
| C2 | N2 | C7 | H4 | 180.0° | 180.0° |
| C2 | N2 | C7 | C8 | 177.4° | 180.0° |
| C2 | N2 | C7 | O7 | 6.6° | 0.1° |
| N2 | C2 | C3 | H6 | 177.3° | 176.4° |
| N2 | C2 | C1 | H16 | 151.7° | 176.0° |
| N2 | C7 | C8 | O7 | 176.5° | 180.0° |
| N2 | C7 | C8 | H1 | 176.5° | 90.0° |
| N2 | C7 | C8 | H2 | 63.5° | 30.0° |
| N2 | C7 | C8 | H3 | 56.5° | 150.0° |
| C7 | N2 | C2 | H5 | 2.4° | 35.0° |
| CAU | O1 | C1 | H16 | 33.1° | 54.7° |
| O1 | CAU | H17 | H18 | 120.0° | 120.0° |
| O1 | CAU | H17 | H19 | 120.0° | 120.0° |
| O1 | CAU | H18 | H19 | 120.0° | 120.0° |
| C7 | C8 | H1 | H2 | 120.0° | 120.0° |
| C7 | C8 | H1 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H3 | 120.0° | 120.0° |
| C8 | C7 | N2 | H4 | 2.6° | 0.0° |
| O7 | C7 | C8 | H1 | 0.0° | 90.0° |
| O7 | C7 | C8 | H2 | 120.0° | 150.0° |
| O7 | C7 | C8 | H3 | 120.0° | 30.0° |
| O7 | C7 | N2 | H4 | 173.4° | 180.0° |
| H1 | C8 | H2 | H3 | 120.0° | 120.0° |
| H4 | N2 | C2 | H5 | 177.5° | 145.0° |
| H5 | C2 | C3 | H6 | 60.3° | 56.5° |
| H5 | C2 | C1 | H16 | 38.6° | 56.2° |
| H6 | C3 | O3 | H7 | 58.5° | 60.5° |
| H6 | C3 | C4 | H8 | 168.5° | 179.0° |
| H8 | C4 | C5 | H15 | 178.3° | 178.4° |
| H9 | CAK | H10 | H11 | 120.0° | 120.0° |
| H13 | C6 | C5 | H15 | 52.9° | 56.1° |
| H14 | C6 | C5 | H15 | 174.7° | 176.7° |
| H17 | CAU | H18 | H19 | 120.0° | 120.0° |
