6W7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.41Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| C6 | C5 | sing | 1.42Å | 1.35Å | |
| C2 | N3 | doub | 1.30Å | 1.37Å | |
| C5 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.31Å | |
| C4 | N9 | sing | 1.37Å | 1.30Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.27Å | Aromatic |
| N9 | CAS | sing | 1.46Å | 1.49Å | |
| CAS | CAR | sing | 1.54Å | 1.46Å | |
| CAS | CAH | sing | 1.54Å | 1.46Å | |
| CAI | OAN | sing | 1.43Å | 1.44Å | |
| CAI | PAU | sing | 1.82Å | 1.85Å | |
| CAR | OAN | sing | 1.43Å | 1.42Å | |
| CAR | CAG | sing | 1.54Å | 1.54Å | |
| OAD | PAU | doub | 1.48Å | 1.51Å | |
| CAH | NAL | sing | 1.49Å | 1.54Å | |
| PAU | OAC | sing | 1.61Å | 1.51Å | |
| PAU | OAB | sing | 1.61Å | 1.52Å | |
| CAG | NAL | sing | 1.49Å | 1.59Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| OAC | H3 | sing | 0.97Å | 0.95Å | |
| OAB | H4 | sing | 0.97Å | 0.95Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| NAL | H10 | sing | 1.01Å | 1.00Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 120.1° | 120.9° |
| O6 | C6 | C5 | 120.1° | 120.9° |
| C6 | N1 | C2 | 120.2° | 120.4° |
| N1 | C6 | C5 | 119.8° | 118.2° |
| C6 | N1 | H2 | 119.9° | 119.8° |
| N1 | C2 | N3 | 118.3° | 122.2° |
| C2 | N1 | H2 | 119.9° | 119.8° |
| N1 | C2 | H15 | 120.8° | 118.9° |
| C6 | C5 | N7 | 134.5° | 134.3° |
| C6 | C5 | C4 | 119.4° | 118.4° |
| C2 | N3 | C4 | 120.5° | 121.3° |
| N3 | C2 | H15 | 120.8° | 118.9° |
| N7 | C5 | C4 | 106.1° | 107.3° |
| C5 | N7 | C8 | 106.2° | 109.3° |
| C5 | C4 | N3 | 121.7° | 119.6° |
| C5 | C4 | N9 | 106.3° | 106.1° |
| N7 | C8 | N9 | 106.7° | 109.8° |
| N7 | C8 | H1 | 126.7° | 125.1° |
| N3 | C4 | N9 | 132.0° | 134.3° |
| C4 | N9 | C8 | 114.7° | 107.5° |
| C4 | N9 | CAS | 121.0° | 126.2° |
| C8 | N9 | CAS | 124.2° | 126.3° |
| N9 | C8 | H1 | 126.6° | 125.1° |
| N9 | CAS | CAR | 114.8° | 110.3° |
| N9 | CAS | CAH | 111.7° | 110.3° |
| N9 | CAS | H14 | 108.1° | 110.4° |
| CAR | CAS | CAH | 105.1° | 105.0° |
| CAS | CAR | OAN | 111.8° | 110.3° |
| CAS | CAR | CAG | 105.5° | 105.1° |
| CAS | CAR | H7 | 110.8° | 110.4° |
| CAR | CAS | H14 | 108.5° | 110.3° |
| CAS | CAH | NAL | 102.5° | 104.6° |
| CAS | CAH | H12 | 111.2° | 110.4° |
| CAS | CAH | H13 | 111.2° | 110.5° |
| CAH | CAS | H14 | 108.4° | 110.3° |
| OAN | CAI | PAU | 109.1° | 109.5° |
| CAI | OAN | CAR | 114.9° | 114.0° |
| OAN | CAI | H5 | 109.5° | 109.5° |
| OAN | CAI | H6 | 109.6° | 109.5° |
| CAI | PAU | OAD | 109.4° | 109.5° |
| CAI | PAU | OAC | 109.6° | 109.5° |
| CAI | PAU | OAB | 109.3° | 109.5° |
| PAU | CAI | H5 | 109.6° | 109.5° |
| PAU | CAI | H6 | 109.6° | 109.4° |
| OAN | CAR | CAG | 107.3° | 110.3° |
| OAN | CAR | H7 | 111.5° | 110.3° |
| CAR | CAG | NAL | 101.3° | 104.6° |
| CAG | CAR | H7 | 109.7° | 110.3° |
| CAR | CAG | H8 | 111.5° | 110.4° |
| CAR | CAG | H9 | 111.5° | 110.4° |
| OAD | PAU | OAC | 109.4° | 109.5° |
| OAD | PAU | OAB | 109.6° | 109.4° |
| CAH | NAL | CAG | 106.1° | 104.2° |
| CAH | NAL | H10 | 110.3° | 111.0° |
| NAL | CAH | H12 | 111.2° | 110.4° |
| NAL | CAH | H13 | 111.2° | 110.4° |
| OAC | PAU | OAB | 109.5° | 109.4° |
| PAU | OAC | H3 | 109.5° | 114.0° |
| PAU | OAB | H4 | 109.5° | 114.0° |
| NAL | CAG | H8 | 111.5° | 110.4° |
| NAL | CAG | H9 | 111.5° | 110.4° |
| CAG | NAL | H10 | 110.3° | 111.0° |
| H5 | CAI | H6 | 109.5° | 109.5° |
| H8 | CAG | H9 | 109.5° | 110.5° |
| H12 | CAH | H13 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C5 | 180.0° | 180.0° |
| O6 | C6 | N1 | C2 | 180.0° | 179.9° |
| O6 | C6 | C5 | N7 | 0.0° | 0.1° |
| O6 | C6 | C5 | C4 | 180.0° | 180.0° |
| O6 | C6 | N1 | H2 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C6 | N1 | C2 | H15 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| N1 | C2 | N3 | H15 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.4° |
| C6 | C5 | N7 | C4 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.3° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C5 | C6 | N1 | H2 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.5° |
| C2 | N3 | C4 | N9 | 179.8° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 179.8° |
| N7 | C5 | C4 | N3 | 179.9° | 179.8° |
| N7 | C5 | C4 | N9 | 0.2° | 0.1° |
| C5 | N7 | C8 | N9 | 0.5° | 0.0° |
| C5 | N7 | C8 | H1 | 179.5° | 179.9° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N3 | N9 | 179.7° | 179.6° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | CAS | 179.7° | 180.0° |
| N7 | C8 | N9 | C4 | 0.7° | 0.0° |
| N7 | C8 | N9 | H1 | 180.0° | 179.9° |
| N7 | C8 | N9 | CAS | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 179.7° |
| N3 | C4 | N9 | CAS | 0.5° | 0.3° |
| C4 | N3 | C2 | H15 | 179.9° | 179.7° |
| C4 | N9 | C8 | CAS | 179.1° | 180.0° |
| C4 | N9 | CAS | CAR | 122.8° | 120.0° |
| C4 | N9 | CAS | CAH | 117.6° | 124.4° |
| C4 | N9 | C8 | H1 | 179.4° | 179.9° |
| C4 | N9 | CAS | H14 | 1.6° | 2.2° |
| C8 | N9 | CAS | CAR | 58.1° | 60.0° |
| C8 | N9 | CAS | CAH | 61.5° | 55.6° |
| C8 | N9 | CAS | H14 | 179.3° | 177.8° |
| N9 | CAS | CAR | CAH | 123.1° | 118.9° |
| N9 | CAS | CAR | H14 | 121.0° | 122.2° |
| N9 | CAS | CAH | H14 | 119.1° | 122.2° |
| N9 | CAS | CAR | OAN | 51.2° | 0.0° |
| N9 | CAS | CAR | CAG | 167.6° | 118.9° |
| N9 | CAS | CAH | NAL | 167.4° | 142.7° |
| CAS | N9 | C8 | H1 | 0.2° | 0.1° |
| N9 | CAS | CAR | H7 | 73.8° | 122.2° |
| N9 | CAS | CAH | H12 | 48.5° | 98.5° |
| N9 | CAS | CAH | H13 | 73.7° | 23.9° |
| CAR | CAS | CAH | H14 | 115.9° | 118.9° |
| CAS | CAR | OAN | CAI | 155.9° | 152.9° |
| CAS | CAR | OAN | CAG | 115.2° | 115.6° |
| CAS | CAR | OAN | H7 | 124.6° | 122.2° |
| CAS | CAR | CAG | H7 | 119.4° | 119.0° |
| CAR | CAS | CAH | NAL | 42.3° | 23.8° |
| CAS | CAR | CAG | NAL | 26.3° | 23.8° |
| CAS | CAR | CAG | H8 | 92.3° | 142.6° |
| CAS | CAR | CAG | H9 | 145.0° | 94.9° |
| CAR | CAS | CAH | H12 | 76.6° | 142.6° |
| CAR | CAS | CAH | H13 | 161.2° | 95.0° |
| CAH | CAS | CAR | OAN | 71.9° | 118.9° |
| CAH | CAS | CAR | CAG | 44.4° | 0.0° |
| CAS | CAH | NAL | H12 | 118.9° | 118.8° |
| CAS | CAH | NAL | H13 | 118.9° | 118.9° |
| CAS | CAH | NAL | CAG | 24.5° | 39.5° |
| CAH | CAS | CAR | H7 | 163.1° | 119.0° |
| CAS | CAH | NAL | H10 | 144.0° | 159.0° |
| CAS | CAH | H12 | H13 | 123.2° | 122.5° |
| OAN | CAI | PAU | H5 | 119.9° | 120.0° |
| OAN | CAI | PAU | H6 | 120.0° | 120.0° |
| CAI | OAN | CAR | CAG | 88.8° | 91.5° |
| OAN | CAI | PAU | OAD | 160.3° | 60.0° |
| OAN | CAI | PAU | OAC | 40.4° | 180.0° |
| OAN | CAI | PAU | OAB | 79.6° | 60.0° |
| OAN | CAI | H5 | H6 | 120.2° | 120.0° |
| CAI | OAN | CAR | H7 | 31.3° | 30.7° |
| PAU | CAI | OAN | CAR | 132.0° | 75.0° |
| CAI | PAU | OAD | OAC | 120.0° | 120.0° |
| CAI | PAU | OAD | OAB | 119.9° | 120.0° |
| CAI | PAU | OAC | OAB | 119.9° | 120.0° |
| CAI | PAU | OAC | H3 | 120.0° | 180.0° |
| CAI | PAU | OAB | H4 | 120.0° | 60.0° |
| PAU | CAI | H5 | H6 | 120.2° | 120.0° |
| OAN | CAR | CAG | H7 | 121.2° | 122.1° |
| OAN | CAR | CAG | NAL | 93.0° | 142.7° |
| CAR | OAN | CAI | H5 | 12.1° | 45.0° |
| CAR | OAN | CAI | H6 | 108.0° | 165.0° |
| OAN | CAR | CAG | H8 | 148.3° | 98.5° |
| OAN | CAR | CAG | H9 | 25.6° | 24.0° |
| OAN | CAR | CAS | H14 | 172.2° | 122.2° |
| CAR | CAG | NAL | CAH | 0.9° | 39.5° |
| CAR | CAG | NAL | H8 | 118.7° | 118.8° |
| CAR | CAG | NAL | H9 | 118.6° | 118.8° |
| CAR | CAG | H8 | H9 | 123.8° | 122.4° |
| CAR | CAG | NAL | H10 | 118.6° | 159.0° |
| CAG | CAR | CAS | H14 | 71.4° | 118.9° |
| OAD | PAU | OAC | OAB | 120.1° | 119.9° |
| OAD | PAU | OAC | H3 | 0.0° | 59.9° |
| OAD | PAU | OAB | H4 | 0.0° | 180.0° |
| OAD | PAU | CAI | H5 | 79.7° | 180.0° |
| OAD | PAU | CAI | H6 | 40.3° | 60.0° |
| CAH | NAL | CAG | H10 | 119.5° | 119.6° |
| CAH | NAL | CAG | H8 | 117.8° | 158.3° |
| CAH | NAL | CAG | H9 | 119.5° | 79.3° |
| NAL | CAH | H12 | H13 | 123.3° | 122.3° |
| NAL | CAH | CAS | H14 | 73.6° | 95.0° |
| OAC | PAU | OAB | H4 | 120.0° | 60.0° |
| OAC | PAU | CAI | H5 | 160.3° | 60.0° |
| OAC | PAU | CAI | H6 | 79.6° | 60.0° |
| OAB | PAU | OAC | H3 | 120.1° | 60.0° |
| OAB | PAU | CAI | H5 | 40.3° | 60.0° |
| OAB | PAU | CAI | H6 | 160.4° | 180.0° |
| NAL | CAG | CAR | H7 | 145.7° | 95.2° |
| NAL | CAG | H8 | H9 | 123.8° | 122.4° |
| CAG | NAL | CAH | H12 | 94.3° | 158.2° |
| CAG | NAL | CAH | H13 | 143.4° | 79.5° |
| H2 | N1 | C2 | H15 | 0.0° | 0.1° |
| H7 | CAR | CAG | H8 | 27.0° | 23.7° |
| H7 | CAR | CAG | H9 | 95.6° | 146.1° |
| H7 | CAR | CAS | H14 | 47.2° | 0.1° |
| H8 | CAG | NAL | H10 | 122.7° | 82.2° |
| H9 | CAG | NAL | H10 | 0.1° | 40.3° |
| H10 | NAL | CAH | H12 | 25.1° | 82.2° |
| H10 | NAL | CAH | H13 | 97.1° | 40.1° |
| H12 | CAH | CAS | H14 | 167.6° | 23.8° |
| H13 | CAH | CAS | H14 | 45.4° | 146.1° |
