DW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.43Å | |
| N1 | CAK | sing | 1.46Å | 1.47Å | |
| C2 | O2 | doub | 1.22Å | 1.27Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| N3 | C4 | sing | 1.39Å | 1.46Å | |
| N3 | CAC | sing | 1.47Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | N9 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| C5 | N7 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| N7 | CAA | sing | 1.47Å | 1.54Å | |
| C8 | N9 | doub | 1.31Å | 1.35Å | Aromatic |
| N10 | CA0 | sing | 1.46Å | 1.48Å | |
| N10 | CAP | sing | 1.35Å | 1.43Å | |
| N10 | CAR | sing | 1.34Å | 1.42Å | |
| CA0 | CAL | sing | 1.53Å | 1.54Å | |
| CAB | NAX | sing | 1.47Å | 1.48Å | |
| CAD | NAZ | sing | 1.47Å | 1.51Å | |
| OAF | CAP | doub | 1.22Å | 1.26Å | |
| OAH | CAR | doub | 1.22Å | 1.23Å | |
| CAJ | NAN | doub | 1.31Å | 1.36Å | Aromatic |
| CAJ | NAX | sing | 1.35Å | 1.35Å | Aromatic |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| NAN | CAT | sing | 1.34Å | 1.31Å | Aromatic |
| CAP | CAV | sing | 1.41Å | 1.41Å | |
| CAR | NAZ | sing | 1.35Å | 1.36Å | |
| CAT | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAT | NAZ | sing | 1.39Å | 1.38Å | |
| CAV | NAX | sing | 1.38Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA0 | HA0 | sing | 1.09Å | 1.10Å | |
| CA0 | HA0A | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 124.6° | 121.0° |
| C2 | N1 | CAK | 116.2° | 119.5° |
| N1 | C2 | O2 | 120.5° | 119.2° |
| N1 | C2 | N3 | 116.7° | 121.7° |
| C6 | N1 | CAK | 119.2° | 119.5° |
| N1 | C6 | C5 | 120.0° | 119.2° |
| N1 | C6 | O6 | 117.8° | 120.4° |
| N1 | CAK | CAL | 112.6° | 109.5° |
| N1 | CAK | HAK | 108.4° | 109.5° |
| N1 | CAK | HAKA | 108.5° | 109.5° |
| O2 | C2 | N3 | 122.8° | 119.2° |
| C2 | N3 | C4 | 120.3° | 120.1° |
| C2 | N3 | CAC | 116.4° | 119.9° |
| C4 | N3 | CAC | 123.3° | 119.9° |
| N3 | C4 | C5 | 121.9° | 118.8° |
| N3 | C4 | N9 | 131.9° | 133.9° |
| N3 | CAC | HAC | 109.5° | 109.5° |
| N3 | CAC | HACA | 109.5° | 109.5° |
| N3 | CAC | HACB | 109.4° | 109.4° |
| C5 | C4 | N9 | 106.2° | 107.2° |
| C4 | C5 | C6 | 116.4° | 119.1° |
| C4 | C5 | N7 | 106.9° | 106.3° |
| C4 | N9 | C8 | 109.1° | 109.8° |
| C6 | C5 | N7 | 136.7° | 134.6° |
| C5 | C6 | O6 | 122.2° | 120.4° |
| C5 | N7 | C8 | 108.3° | 107.0° |
| C5 | N7 | CAA | 130.9° | 126.5° |
| C8 | N7 | CAA | 120.9° | 126.5° |
| N7 | C8 | N9 | 109.6° | 109.7° |
| N7 | C8 | H8 | 125.2° | 125.1° |
| N7 | CAA | HAA | 109.5° | 109.5° |
| N7 | CAA | HAAA | 109.5° | 109.4° |
| N7 | CAA | HAAB | 109.5° | 109.5° |
| N9 | C8 | H8 | 125.2° | 125.1° |
| CA0 | N10 | CAP | 118.1° | 119.5° |
| CA0 | N10 | CAR | 121.3° | 119.5° |
| N10 | CA0 | CAL | 113.6° | 109.5° |
| N10 | CA0 | HA0 | 108.1° | 109.5° |
| N10 | CA0 | HA0A | 108.1° | 109.5° |
| CAP | N10 | CAR | 120.6° | 121.0° |
| N10 | CAP | OAF | 117.7° | 120.4° |
| N10 | CAP | CAV | 116.7° | 119.2° |
| N10 | CAR | OAH | 123.0° | 119.2° |
| N10 | CAR | NAZ | 121.7° | 121.6° |
| CA0 | CAL | CAK | 102.3° | 109.5° |
| CAL | CA0 | HA0 | 108.1° | 109.4° |
| CAL | CA0 | HA0A | 108.1° | 109.4° |
| CA0 | CAL | HAL | 111.9° | 109.5° |
| CA0 | CAL | HALA | 111.9° | 109.4° |
| CAB | NAX | CAJ | 122.2° | 126.5° |
| CAB | NAX | CAV | 127.6° | 126.5° |
| NAX | CAB | HAB | 109.5° | 109.4° |
| NAX | CAB | HABA | 109.5° | 109.4° |
| NAX | CAB | HABB | 109.5° | 109.5° |
| CAD | NAZ | CAR | 119.2° | 119.9° |
| CAD | NAZ | CAT | 122.7° | 120.0° |
| NAZ | CAD | HAD | 109.5° | 109.5° |
| NAZ | CAD | HADA | 109.4° | 109.4° |
| NAZ | CAD | HADB | 109.5° | 109.5° |
| OAF | CAP | CAV | 125.6° | 120.4° |
| OAH | CAR | NAZ | 115.2° | 119.1° |
| NAN | CAJ | NAX | 107.4° | 109.7° |
| CAJ | NAN | CAT | 108.6° | 109.8° |
| NAN | CAJ | HAJ | 126.3° | 125.2° |
| CAJ | NAX | CAV | 110.2° | 107.0° |
| NAX | CAJ | HAJ | 126.3° | 125.1° |
| CAL | CAK | HAK | 108.5° | 109.5° |
| CAL | CAK | HAKA | 108.4° | 109.4° |
| CAK | CAL | HAL | 111.9° | 109.4° |
| CAK | CAL | HALA | 111.9° | 109.5° |
| NAN | CAT | CAV | 109.1° | 107.3° |
| NAN | CAT | NAZ | 127.9° | 133.9° |
| CAP | CAV | CAT | 119.9° | 119.2° |
| CAP | CAV | NAX | 135.4° | 134.6° |
| CAR | NAZ | CAT | 118.1° | 120.1° |
| CAV | CAT | NAZ | 123.0° | 118.8° |
| CAT | CAV | NAX | 104.7° | 106.2° |
| HA0 | CA0 | HA0A | 110.8° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HAD | CAD | HADB | 109.5° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
| HAK | CAK | HAKA | 110.5° | 109.5° |
| HAL | CAL | HALA | 106.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | CAK | 177.2° | 179.7° |
| N1 | C2 | O2 | N3 | 179.8° | 179.9° |
| N1 | C2 | N3 | C4 | 2.0° | 0.1° |
| N1 | C2 | N3 | CAC | 179.4° | 180.0° |
| C2 | N1 | C6 | C5 | 2.0° | 0.0° |
| C2 | N1 | C6 | O6 | 177.6° | 180.0° |
| C2 | N1 | CAK | CAL | 106.5° | 90.0° |
| C2 | N1 | CAK | HAK | 133.5° | 150.0° |
| C2 | N1 | CAK | HAKA | 13.5° | 30.0° |
| C6 | N1 | C2 | O2 | 179.6° | 179.9° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 1.5° | 0.0° |
| N1 | C6 | C5 | O6 | 179.6° | 180.0° |
| N1 | C6 | C5 | N7 | 178.3° | 179.9° |
| C6 | N1 | CAK | CAL | 76.1° | 90.3° |
| C6 | N1 | CAK | HAK | 44.0° | 29.7° |
| C6 | N1 | CAK | HAKA | 163.9° | 149.7° |
| CAK | N1 | C2 | O2 | 2.3° | 0.2° |
| CAK | N1 | C2 | N3 | 177.5° | 179.7° |
| CAK | N1 | C6 | C5 | 179.3° | 179.7° |
| CAK | N1 | C6 | O6 | 0.4° | 0.3° |
| N1 | CAK | CAL | CA0 | 179.5° | 180.0° |
| N1 | CAK | CAL | HAK | 120.0° | 120.0° |
| N1 | CAK | CAL | HAKA | 120.0° | 120.0° |
| N1 | CAK | HAK | HAKA | 118.7° | 120.0° |
| N1 | CAK | CAL | HAL | 60.5° | 60.0° |
| N1 | CAK | CAL | HALA | 59.5° | 60.0° |
| O2 | C2 | N3 | C4 | 178.2° | 180.0° |
| O2 | C2 | N3 | CAC | 0.8° | 0.1° |
| C2 | N3 | C4 | CAC | 177.2° | 179.9° |
| C2 | N3 | C4 | C5 | 2.5° | 0.1° |
| C2 | N3 | C4 | N9 | 179.5° | 180.0° |
| C2 | N3 | CAC | HAC | 180.0° | 0.0° |
| C2 | N3 | CAC | HACA | 60.0° | 120.1° |
| C2 | N3 | CAC | HACB | 60.0° | 120.0° |
| N3 | C4 | C5 | N9 | 178.4° | 179.9° |
| N3 | C4 | C5 | C6 | 0.6° | 0.1° |
| N3 | C4 | C5 | N7 | 179.5° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| C4 | N3 | CAC | HAC | 2.7° | 179.9° |
| C4 | N3 | CAC | HACA | 117.3° | 60.0° |
| C4 | N3 | CAC | HACB | 122.7° | 60.0° |
| CAC | N3 | C4 | C5 | 179.7° | 180.0° |
| CAC | N3 | C4 | N9 | 2.3° | 0.0° |
| N3 | CAC | HAC | HACA | 120.0° | 120.0° |
| N3 | CAC | HAC | HACB | 120.0° | 120.0° |
| N3 | CAC | HACA | HACB | 120.0° | 120.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | O6 | 178.1° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C4 | C5 | N7 | CAA | 179.2° | 180.0° |
| C5 | C4 | N9 | C8 | 1.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| N9 | C4 | C5 | N7 | 1.0° | 0.1° |
| C4 | N9 | C8 | N7 | 1.5° | 0.0° |
| C4 | N9 | C8 | H8 | 178.5° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C6 | C5 | N7 | CAA | 0.9° | 0.1° |
| N7 | C5 | C6 | O6 | 2.0° | 0.1° |
| C5 | N7 | C8 | CAA | 179.2° | 179.9° |
| C5 | N7 | C8 | N9 | 0.8° | 0.1° |
| C5 | N7 | C8 | H8 | 179.2° | 180.0° |
| C5 | N7 | CAA | HAA | 180.0° | 90.1° |
| C5 | N7 | CAA | HAAA | 60.0° | 150.0° |
| C5 | N7 | CAA | HAAB | 60.0° | 30.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C8 | N7 | CAA | HAA | 1.0° | 90.0° |
| C8 | N7 | CAA | HAAA | 119.0° | 29.9° |
| C8 | N7 | CAA | HAAB | 121.0° | 150.0° |
| CAA | N7 | C8 | N9 | 178.3° | 180.0° |
| CAA | N7 | C8 | H8 | 1.7° | 0.0° |
| N7 | CAA | HAA | HAAA | 120.0° | 119.9° |
| N7 | CAA | HAA | HAAB | 120.0° | 120.1° |
| N7 | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CA0 | N10 | CAP | CAR | 177.8° | 179.6° |
| N10 | CA0 | CAL | HA0 | 120.0° | 120.1° |
| N10 | CA0 | CAL | HA0A | 120.0° | 120.0° |
| CA0 | N10 | CAP | OAF | 0.0° | 0.1° |
| CA0 | N10 | CAR | OAH | 3.0° | 0.1° |
| N10 | CA0 | CAL | CAK | 178.6° | 180.0° |
| CA0 | N10 | CAP | CAV | 179.9° | 179.9° |
| CA0 | N10 | CAR | NAZ | 179.8° | 179.9° |
| N10 | CA0 | HA0 | HA0A | 118.3° | 120.1° |
| N10 | CA0 | CAL | HAL | 61.4° | 60.0° |
| N10 | CA0 | CAL | HALA | 58.6° | 60.0° |
| CAP | N10 | CA0 | CAL | 74.4° | 90.1° |
| N10 | CAP | OAF | CAV | 179.9° | 180.0° |
| CAP | N10 | CAR | OAH | 179.3° | 179.7° |
| CAP | N10 | CAR | NAZ | 2.1° | 0.3° |
| N10 | CAP | CAV | CAT | 1.1° | 0.1° |
| N10 | CAP | CAV | NAX | 179.4° | 179.9° |
| CAP | N10 | CA0 | HA0 | 165.6° | 150.0° |
| CAP | N10 | CA0 | HA0A | 45.6° | 29.9° |
| CAR | N10 | CA0 | CAL | 107.8° | 90.3° |
| N10 | CAR | NAZ | CAD | 178.9° | 180.0° |
| CAR | N10 | CAP | OAF | 177.8° | 179.7° |
| N10 | CAR | OAH | NAZ | 177.4° | 180.0° |
| CAR | N10 | CAP | CAV | 2.3° | 0.3° |
| N10 | CAR | NAZ | CAT | 0.5° | 0.0° |
| CAR | N10 | CA0 | HA0 | 12.2° | 29.7° |
| CAR | N10 | CA0 | HA0A | 132.2° | 149.7° |
| CA0 | CAL | CAK | HAL | 120.0° | 120.0° |
| CA0 | CAL | CAK | HALA | 120.0° | 120.0° |
| CAL | CA0 | HA0 | HA0A | 118.3° | 119.9° |
| CA0 | CAL | CAK | HAK | 60.5° | 60.0° |
| CA0 | CAL | CAK | HAKA | 59.5° | 60.0° |
| CA0 | CAL | HAL | HALA | 122.9° | 120.0° |
| CAB | NAX | CAJ | NAN | 178.9° | 180.0° |
| CAB | NAX | CAJ | CAV | 178.1° | 179.9° |
| CAB | NAX | CAV | CAP | 0.9° | 0.1° |
| CAB | NAX | CAV | CAT | 178.7° | 179.9° |
| NAX | CAB | HAB | HABA | 120.0° | 119.9° |
| NAX | CAB | HAB | HABB | 120.0° | 120.0° |
| NAX | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | NAX | CAJ | HAJ | 1.1° | 0.1° |
| CAD | NAZ | CAR | OAH | 1.5° | 0.0° |
| CAD | NAZ | CAT | NAN | 1.2° | 0.0° |
| CAD | NAZ | CAR | CAT | 179.4° | 180.0° |
| CAD | NAZ | CAT | CAV | 179.9° | 179.7° |
| NAZ | CAD | HAD | HADA | 120.0° | 120.0° |
| NAZ | CAD | HAD | HADB | 120.0° | 120.0° |
| NAZ | CAD | HADA | HADB | 120.0° | 120.0° |
| OAF | CAP | CAV | CAT | 179.0° | 180.0° |
| OAF | CAP | CAV | NAX | 0.5° | 0.1° |
| OAH | CAR | NAZ | CAT | 177.9° | 180.0° |
| NAN | CAJ | NAX | HAJ | 180.0° | 179.9° |
| CAJ | NAN | CAT | CAV | 0.1° | 0.1° |
| CAJ | NAN | CAT | NAZ | 178.7° | 179.7° |
| NAN | CAJ | NAX | CAV | 0.8° | 0.1° |
| NAX | CAJ | NAN | CAT | 0.5° | 0.1° |
| CAJ | NAX | CAV | CAP | 178.9° | 180.0° |
| CAJ | NAX | CAV | CAT | 0.7° | 0.0° |
| CAJ | NAX | CAB | HAB | 180.0° | 90.1° |
| CAJ | NAX | CAB | HABA | 60.0° | 149.9° |
| CAJ | NAX | CAB | HABB | 60.0° | 29.9° |
| CAK | CAL | CA0 | HA0 | 58.6° | 60.0° |
| CAK | CAL | CA0 | HA0A | 61.4° | 60.0° |
| CAL | CAK | HAK | HAKA | 118.7° | 120.0° |
| CAK | CAL | HAL | HALA | 122.9° | 120.0° |
| NAN | CAT | CAV | CAP | 179.3° | 180.0° |
| NAN | CAT | NAZ | CAR | 179.4° | 180.0° |
| NAN | CAT | CAV | NAZ | 178.9° | 179.8° |
| NAN | CAT | CAV | NAX | 0.3° | 0.0° |
| CAT | NAN | CAJ | HAJ | 179.5° | 180.0° |
| CAP | CAV | CAT | NAX | 179.7° | 180.0° |
| CAP | CAV | CAT | NAZ | 0.4° | 0.2° |
| CAR | NAZ | CAT | CAV | 0.7° | 0.2° |
| CAR | NAZ | CAD | HAD | 180.0° | 0.0° |
| CAR | NAZ | CAD | HADA | 60.0° | 120.0° |
| CAR | NAZ | CAD | HADB | 60.0° | 120.0° |
| NAZ | CAT | CAV | NAX | 179.2° | 179.8° |
| CAT | NAZ | CAD | HAD | 0.6° | 180.0° |
| CAT | NAZ | CAD | HADA | 120.6° | 60.0° |
| CAT | NAZ | CAD | HADB | 119.4° | 60.0° |
| CAV | NAX | CAB | HAB | 2.3° | 90.0° |
| CAV | NAX | CAB | HABA | 117.7° | 29.9° |
| CAV | NAX | CAB | HABB | 122.2° | 150.0° |
| CAV | NAX | CAJ | HAJ | 179.2° | 180.0° |
| HA0 | CA0 | CAL | HAL | 178.6° | 180.0° |
| HA0 | CA0 | CAL | HALA | 61.5° | 60.1° |
| HA0A | CA0 | CAL | HAL | 58.6° | 60.0° |
| HA0A | CA0 | CAL | HALA | 178.5° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAD | CAD | HADA | HADB | 120.0° | 120.0° |
| HAK | CAK | CAL | HAL | 59.5° | 60.0° |
| HAK | CAK | CAL | HALA | 179.5° | NaN° |
| HAKA | CAK | CAL | HAL | 179.5° | 180.0° |
| HAKA | CAK | CAL | HALA | 60.5° | 60.0° |
