6W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | PAV | doub | 1.48Å | 1.48Å | |
| NAL | CAG | sing | 1.49Å | 1.61Å | |
| NAL | CAH | sing | 1.48Å | 1.54Å | |
| CAG | CAS | sing | 1.55Å | 1.53Å | |
| OAE | PAV | sing | 1.61Å | 1.48Å | |
| CAH | CAT | sing | 1.54Å | 1.49Å | |
| PAV | OAD | sing | 1.61Å | 1.48Å | |
| PAV | CAI | sing | 1.82Å | 1.82Å | |
| CAS | OAN | sing | 1.43Å | 1.44Å | |
| CAS | CAT | sing | 1.55Å | 1.45Å | |
| OAN | CAI | sing | 1.43Å | 1.46Å | |
| CAT | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C8 | sing | 1.37Å | 1.30Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.40Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.42Å | |
| N7 | C5 | sing | 1.35Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.47Å | |
| C2 | N2 | sing | 1.37Å | 1.44Å | |
| C2 | N1 | sing | 1.36Å | 1.46Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| C6 | O6 | doub | 1.22Å | 1.41Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| OAD | H5 | sing | 0.97Å | 0.95Å | |
| OAE | H6 | sing | 0.97Å | 0.95Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| NAL | H12 | sing | 1.01Å | 1.00Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| CAT | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | PAV | OAE | 104.9° | 109.4° |
| OAC | PAV | OAD | 104.9° | 109.5° |
| OAC | PAV | CAI | 113.3° | 109.5° |
| CAG | NAL | CAH | 105.2° | 105.8° |
| NAL | CAG | CAS | 102.1° | 103.2° |
| NAL | CAG | H10 | 111.3° | 110.7° |
| NAL | CAG | H11 | 111.3° | 110.8° |
| CAG | NAL | H12 | 110.6° | 110.9° |
| NAL | CAH | CAT | 101.7° | 107.0° |
| CAH | NAL | H12 | 110.5° | 111.0° |
| NAL | CAH | H14 | 111.4° | 109.9° |
| NAL | CAH | H15 | 111.4° | 109.9° |
| CAG | CAS | OAN | 108.2° | 110.7° |
| CAG | CAS | CAT | 106.1° | 102.9° |
| CAG | CAS | H9 | 109.9° | 110.9° |
| CAS | CAG | H10 | 111.3° | 110.7° |
| CAS | CAG | H11 | 111.3° | 110.7° |
| OAE | PAV | OAD | 104.7° | 109.5° |
| OAE | PAV | CAI | 113.9° | 109.5° |
| PAV | OAE | H6 | 109.5° | 114.0° |
| CAH | CAT | CAS | 105.0° | 105.2° |
| CAH | CAT | N9 | 112.0° | 110.3° |
| CAT | CAH | H14 | 111.4° | 109.9° |
| CAT | CAH | H15 | 111.4° | 109.9° |
| CAH | CAT | H16 | 108.4° | 110.3° |
| OAD | PAV | CAI | 114.1° | 109.5° |
| PAV | OAD | H5 | 109.5° | 114.0° |
| PAV | CAI | OAN | 108.0° | 109.4° |
| PAV | CAI | H7 | 109.8° | 109.5° |
| PAV | CAI | H8 | 109.8° | 109.5° |
| OAN | CAS | CAT | 110.5° | 110.7° |
| CAS | OAN | CAI | 115.6° | 114.0° |
| OAN | CAS | H9 | 111.1° | 110.7° |
| CAS | CAT | N9 | 113.9° | 110.3° |
| CAT | CAS | H9 | 111.0° | 110.7° |
| CAS | CAT | H16 | 108.9° | 110.3° |
| OAN | CAI | H7 | 109.9° | 109.4° |
| OAN | CAI | H8 | 109.8° | 109.5° |
| CAT | N9 | C8 | 124.4° | 126.2° |
| CAT | N9 | C4 | 120.7° | 126.3° |
| N9 | CAT | H16 | 108.4° | 110.3° |
| C8 | N9 | C4 | 114.8° | 107.5° |
| N9 | C8 | N7 | 106.8° | 109.8° |
| N9 | C8 | H1 | 126.6° | 125.1° |
| N9 | C4 | N3 | 132.7° | 134.2° |
| N9 | C4 | C5 | 105.9° | 106.1° |
| C8 | N7 | C5 | 106.6° | 109.4° |
| N7 | C8 | H1 | 126.6° | 125.1° |
| N3 | C4 | C5 | 121.4° | 119.7° |
| C4 | N3 | C2 | 121.1° | 121.1° |
| C4 | C5 | N7 | 105.9° | 107.2° |
| C4 | C5 | C6 | 119.2° | 118.6° |
| N3 | C2 | N2 | 120.6° | 119.1° |
| N3 | C2 | N1 | 118.7° | 121.9° |
| N7 | C5 | C6 | 135.0° | 134.2° |
| C5 | C6 | N1 | 120.0° | 118.4° |
| C5 | C6 | O6 | 120.4° | 120.8° |
| N2 | C2 | N1 | 120.7° | 119.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C2 | N1 | C6 | 119.6° | 120.3° |
| C2 | N1 | H2 | 120.2° | 119.9° |
| N1 | C6 | O6 | 119.6° | 120.8° |
| C6 | N1 | H2 | 120.2° | 119.8° |
| H3 | N2 | H4 | 120.0° | 120.0° |
| H7 | CAI | H8 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 110.6° |
| H14 | CAH | H15 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | PAV | OAE | OAD | 110.2° | 120.0° |
| OAC | PAV | OAE | CAI | 124.4° | 120.0° |
| OAC | PAV | OAD | CAI | 124.6° | 120.0° |
| OAC | PAV | CAI | OAN | 95.7° | 60.0° |
| OAC | PAV | OAD | H5 | 0.0° | 60.0° |
| OAC | PAV | OAE | H6 | 0.0° | 180.0° |
| OAC | PAV | CAI | H7 | 144.5° | 60.0° |
| OAC | PAV | CAI | H8 | 24.0° | 180.0° |
| CAG | NAL | CAH | H12 | 119.4° | 120.4° |
| NAL | CAG | CAS | H10 | 118.8° | 118.5° |
| NAL | CAG | CAS | H11 | 118.8° | 118.6° |
| CAG | NAL | CAH | CAT | 28.7° | 25.3° |
| NAL | CAG | CAS | OAN | 95.8° | 155.7° |
| NAL | CAG | CAS | CAT | 22.7° | 37.4° |
| NAL | CAG | CAS | H9 | 142.8° | 81.0° |
| NAL | CAG | H10 | H11 | 123.4° | 123.1° |
| CAG | NAL | CAH | H14 | 147.4° | 144.6° |
| CAG | NAL | CAH | H15 | 90.1° | 94.1° |
| CAH | NAL | CAG | CAS | 4.4° | 39.2° |
| NAL | CAH | CAT | H14 | 118.7° | 119.3° |
| NAL | CAH | CAT | H15 | 118.7° | 119.3° |
| NAL | CAH | CAT | CAS | 44.5° | 1.2° |
| NAL | CAH | CAT | N9 | 168.6° | 120.1° |
| CAH | NAL | CAG | H10 | 114.4° | 157.6° |
| CAH | NAL | CAG | H11 | 123.2° | 79.3° |
| NAL | CAH | H14 | H15 | 123.6° | 121.2° |
| NAL | CAH | CAT | H16 | 71.8° | 117.7° |
| CAG | CAS | CAT | CAH | 43.0° | 22.0° |
| CAG | CAS | OAN | CAT | 115.7° | 113.5° |
| CAG | CAS | OAN | H9 | 120.6° | 123.4° |
| CAG | CAS | CAT | H9 | 119.3° | 118.5° |
| CAG | CAS | OAN | CAI | 77.5° | 96.5° |
| CAG | CAS | CAT | N9 | 165.9° | 97.0° |
| CAS | CAG | H10 | H11 | 123.4° | 123.0° |
| CAS | CAG | NAL | H12 | 114.9° | 81.3° |
| CAG | CAS | CAT | H16 | 72.9° | 140.9° |
| OAE | PAV | OAD | CAI | 125.2° | 120.1° |
| OAE | PAV | CAI | OAN | 24.0° | 60.0° |
| OAE | PAV | OAD | H5 | 110.2° | 60.0° |
| OAE | PAV | CAI | H7 | 95.8° | 179.9° |
| OAE | PAV | CAI | H8 | 143.8° | 60.0° |
| CAH | CAT | CAS | OAN | 74.0° | 140.3° |
| CAH | CAT | CAS | N9 | 122.9° | 119.0° |
| CAH | CAT | CAS | H16 | 115.9° | 118.9° |
| CAH | CAT | N9 | H16 | 119.5° | 122.2° |
| CAH | CAT | N9 | C8 | 53.9° | 55.7° |
| CAH | CAT | N9 | C4 | 125.0° | 124.2° |
| CAH | CAT | CAS | H9 | 162.3° | 96.6° |
| CAT | CAH | NAL | H12 | 90.7° | 95.2° |
| CAT | CAH | H14 | H15 | 123.6° | 121.2° |
| OAD | PAV | CAI | OAN | 144.2° | 180.0° |
| OAD | PAV | OAE | H6 | 110.2° | 60.0° |
| OAD | PAV | CAI | H7 | 24.4° | 60.0° |
| OAD | PAV | CAI | H8 | 96.0° | 60.0° |
| PAV | CAI | OAN | CAS | 137.4° | 75.0° |
| PAV | CAI | OAN | H7 | 119.8° | 120.0° |
| PAV | CAI | OAN | H8 | 119.8° | 120.0° |
| CAI | PAV | OAD | H5 | 124.6° | 180.0° |
| CAI | PAV | OAE | H6 | 124.4° | 60.0° |
| PAV | CAI | H7 | H8 | 120.7° | 120.1° |
| OAN | CAS | CAT | H9 | 123.7° | 123.1° |
| OAN | CAS | CAT | N9 | 48.9° | 21.4° |
| CAS | OAN | CAI | H7 | 102.8° | 45.0° |
| CAS | OAN | CAI | H8 | 17.7° | 165.0° |
| OAN | CAS | CAG | H10 | 23.0° | 85.8° |
| OAN | CAS | CAG | H11 | 145.4° | 37.2° |
| OAN | CAS | CAT | H16 | 170.1° | 100.7° |
| CAT | CAS | OAN | CAI | 166.8° | 150.0° |
| CAS | CAT | N9 | H16 | 121.5° | 122.1° |
| CAS | CAT | N9 | C8 | 65.1° | 60.1° |
| CAS | CAT | N9 | C4 | 116.0° | 120.0° |
| CAT | CAS | CAG | H10 | 141.5° | 155.8° |
| CAT | CAS | CAG | H11 | 96.1° | 81.2° |
| CAS | CAT | CAH | H14 | 163.2° | 120.5° |
| CAS | CAT | CAH | H15 | 74.2° | 118.1° |
| OAN | CAI | H7 | H8 | 120.7° | 120.0° |
| CAI | OAN | CAS | H9 | 43.1° | 26.9° |
| CAT | N9 | C8 | C4 | 179.0° | 179.9° |
| CAT | N9 | C8 | N7 | 179.8° | 179.8° |
| CAT | N9 | C4 | N3 | 0.5° | 0.1° |
| CAT | N9 | C4 | C5 | 179.7° | 179.8° |
| CAT | N9 | C8 | H1 | 0.2° | 0.1° |
| N9 | CAT | CAS | H9 | 74.8° | 144.5° |
| N9 | CAT | CAH | H14 | 72.6° | 120.5° |
| N9 | CAT | CAH | H15 | 49.9° | 0.8° |
| N9 | C8 | N7 | H1 | 180.0° | 179.9° |
| C8 | N9 | C4 | N3 | 179.5° | 179.9° |
| C8 | N9 | C4 | C5 | 0.6° | 0.3° |
| N9 | C8 | N7 | C5 | 0.6° | 0.1° |
| C8 | N9 | CAT | H16 | 173.4° | 177.8° |
| C4 | N9 | C8 | N7 | 0.8° | 0.3° |
| N9 | C4 | N3 | C5 | 179.8° | 179.6° |
| N9 | C4 | N3 | C2 | 179.7° | 179.7° |
| N9 | C4 | C5 | N7 | 0.2° | 0.2° |
| N9 | C4 | C5 | C6 | 179.8° | 179.7° |
| C4 | N9 | C8 | H1 | 179.2° | 179.9° |
| C4 | N9 | CAT | H16 | 5.5° | 2.1° |
| C8 | N7 | C5 | C4 | 0.2° | 0.1° |
| C8 | N7 | C5 | C6 | 179.8° | 179.9° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | N3 | C2 | N2 | 179.9° | 179.9° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| C4 | C5 | N7 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| N3 | C2 | N2 | N1 | 179.9° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| N3 | C2 | N1 | H2 | 179.9° | 179.9° |
| N3 | C2 | N2 | H3 | 0.0° | 0.0° |
| N3 | C2 | N2 | H4 | 180.0° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.1° |
| C5 | N7 | C8 | H1 | 179.4° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C5 | C6 | N1 | O6 | 179.9° | 179.9° |
| C5 | C6 | N1 | H2 | 179.9° | 180.0° |
| N2 | C2 | N1 | C6 | 179.9° | 180.0° |
| N2 | C2 | N1 | H2 | 0.1° | 0.1° |
| C2 | N2 | H3 | H4 | 180.0° | 180.0° |
| C2 | N1 | C6 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | O6 | 180.0° | 180.0° |
| N1 | C2 | N2 | H3 | 179.9° | 179.9° |
| N1 | C2 | N2 | H4 | 0.0° | 0.0° |
| O6 | C6 | N1 | H2 | 0.0° | 0.1° |
| H9 | CAS | CAG | H10 | 98.4° | 37.5° |
| H9 | CAS | CAG | H11 | 24.0° | 160.4° |
| H9 | CAS | CAT | H16 | 46.4° | 22.4° |
| H10 | CAG | NAL | H12 | 126.2° | 37.2° |
| H11 | CAG | NAL | H12 | 3.8° | 160.2° |
| H12 | NAL | CAH | H14 | 28.1° | 24.2° |
| H12 | NAL | CAH | H15 | 150.6° | 145.5° |
| H14 | CAH | CAT | H16 | 46.9° | 1.6° |
| H15 | CAH | CAT | H16 | 169.5° | 123.0° |
