CX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C6 | C5 | sing | 1.41Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.44Å | |
| C5 | N7 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.43Å | |
| N1 | CAK | sing | 1.47Å | 1.52Å | |
| N7 | CAA | sing | 1.46Å | 1.49Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.39Å | 1.41Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| C8 | N9 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N3 | CAC | sing | 1.46Å | 1.51Å | |
| N3 | C2 | sing | 1.35Å | 1.42Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| CAK | CAL | sing | 1.53Å | 1.57Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | CA0 | sing | 1.53Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CA0 | N10 | sing | 1.47Å | 1.51Å | |
| CA0 | HA0 | sing | 1.09Å | 1.10Å | |
| CA0 | HA0A | sing | 1.09Å | 1.10Å | |
| N10 | CAP | sing | 1.35Å | 1.43Å | |
| N10 | CAR | sing | 1.34Å | 1.44Å | |
| CAP | OAF | doub | 1.22Å | 1.24Å | |
| CAP | CAV | sing | 1.46Å | 1.40Å | |
| CAR | NAZ | sing | 1.34Å | 1.43Å | |
| CAR | OAH | doub | 1.22Å | 1.24Å | |
| CAV | NAX | sing | 1.36Å | 1.34Å | Aromatic |
| CAV | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| NAX | CAJ | doub | 1.30Å | 1.34Å | Aromatic |
| CAT | NAN | sing | 1.36Å | 1.34Å | Aromatic |
| CAT | NAZ | sing | 1.38Å | 1.43Å | |
| CAJ | NAN | sing | 1.36Å | 1.34Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| NAZ | CAD | sing | 1.46Å | 1.50Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 120.3° | 120.3° |
| O6 | C6 | N1 | 119.9° | 120.5° |
| C5 | C6 | N1 | 119.9° | 119.2° |
| C6 | C5 | N7 | 135.2° | 134.6° |
| C6 | C5 | C4 | 120.3° | 119.1° |
| C6 | N1 | C2 | 119.0° | 121.1° |
| C6 | N1 | CAK | 121.8° | 119.5° |
| N7 | C5 | C4 | 104.6° | 106.3° |
| C5 | N7 | CAA | 127.8° | 126.6° |
| C5 | N7 | C8 | 110.5° | 107.0° |
| C5 | C4 | N9 | 108.4° | 107.2° |
| C5 | C4 | N3 | 121.1° | 118.9° |
| C2 | N1 | CAK | 119.2° | 119.5° |
| N1 | C2 | N3 | 120.6° | 121.6° |
| N1 | C2 | O2 | 120.6° | 119.2° |
| N1 | CAK | CAL | 114.4° | 109.5° |
| N1 | CAK | HAK | 107.9° | 109.5° |
| N1 | CAK | HAKA | 106.7° | 109.5° |
| CAA | N7 | C8 | 121.7° | 126.5° |
| N7 | CAA | HAA | 109.5° | 109.5° |
| N7 | CAA | HAAA | 109.5° | 109.5° |
| N7 | CAA | HAAB | 109.5° | 109.5° |
| N7 | C8 | N9 | 108.4° | 109.7° |
| N7 | C8 | H8 | 125.8° | 125.2° |
| N9 | C4 | N3 | 130.5° | 133.9° |
| C4 | N9 | C8 | 108.1° | 109.8° |
| C4 | N3 | CAC | 119.2° | 120.0° |
| C4 | N3 | C2 | 119.2° | 120.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| N9 | C8 | H8 | 125.8° | 125.1° |
| CAC | N3 | C2 | 121.6° | 120.0° |
| N3 | CAC | HAC | 109.5° | 109.5° |
| N3 | CAC | HACA | 109.4° | 109.4° |
| N3 | CAC | HACB | 109.4° | 109.5° |
| N3 | C2 | O2 | 118.8° | 119.1° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| CAL | CAK | HAK | 107.8° | 109.5° |
| CAL | CAK | HAKA | 106.7° | 109.4° |
| CAK | CAL | CA0 | 113.3° | 109.5° |
| CAK | CAL | HAL | 108.2° | 109.4° |
| CAK | CAL | HALA | 107.4° | 109.4° |
| HAK | CAK | HAKA | 113.4° | 109.5° |
| CA0 | CAL | HAL | 108.2° | 109.5° |
| CA0 | CAL | HALA | 107.3° | 109.5° |
| CAL | CA0 | N10 | 110.3° | 109.4° |
| CAL | CA0 | HA0 | 109.2° | 109.5° |
| CAL | CA0 | HA0A | 109.0° | 109.5° |
| HAL | CAL | HALA | 112.5° | 109.5° |
| N10 | CA0 | HA0 | 109.2° | 109.4° |
| N10 | CA0 | HA0A | 109.0° | 109.4° |
| CA0 | N10 | CAP | 120.8° | 119.5° |
| CA0 | N10 | CAR | 120.1° | 119.6° |
| HA0 | CA0 | HA0A | 110.2° | 109.5° |
| CAP | N10 | CAR | 119.0° | 120.9° |
| N10 | CAP | OAF | 121.2° | 120.7° |
| N10 | CAP | CAV | 119.9° | 118.5° |
| N10 | CAR | NAZ | 120.7° | 122.3° |
| N10 | CAR | OAH | 120.4° | 118.8° |
| OAF | CAP | CAV | 118.9° | 120.8° |
| CAP | CAV | NAX | 131.6° | 134.3° |
| CAP | CAV | CAT | 121.7° | 118.4° |
| NAZ | CAR | OAH | 119.0° | 118.8° |
| CAR | NAZ | CAT | 118.6° | 120.8° |
| CAR | NAZ | CAD | 120.4° | 119.6° |
| NAX | CAV | CAT | 106.7° | 107.4° |
| CAV | NAX | CAJ | 109.1° | 109.1° |
| CAV | CAT | NAN | 106.9° | 106.4° |
| CAV | CAT | NAZ | 120.2° | 119.2° |
| NAX | CAJ | NAN | 108.6° | 109.5° |
| NAX | CAJ | HAJ | 125.7° | 125.3° |
| NAN | CAT | NAZ | 132.9° | 134.4° |
| CAT | NAN | CAJ | 108.7° | 107.6° |
| CAT | NAN | HNAN | 125.6° | 126.2° |
| CAT | NAZ | CAD | 121.0° | 119.6° |
| NAN | CAJ | HAJ | 125.7° | 125.2° |
| CAJ | NAN | HNAN | 125.6° | 126.2° |
| NAZ | CAD | HAD | 109.5° | 109.5° |
| NAZ | CAD | HADA | 109.5° | 109.5° |
| NAZ | CAD | HADB | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.4° | 109.4° |
| HAD | CAD | HADB | 109.5° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N1 | 179.3° | 179.8° |
| O6 | C6 | C5 | N7 | 0.6° | 0.1° |
| O6 | C6 | C5 | C4 | 179.2° | 180.0° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | N1 | CAK | 0.9° | 0.0° |
| C6 | C5 | N7 | C4 | 179.8° | 179.9° |
| C5 | C6 | N1 | C2 | 0.8° | 0.2° |
| C5 | C6 | N1 | CAK | 179.9° | 179.8° |
| C6 | C5 | N7 | CAA | 0.1° | 0.0° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.0° |
| N1 | C6 | C5 | N7 | 179.9° | 179.7° |
| N1 | C6 | C5 | C4 | 0.0° | 0.2° |
| C6 | N1 | C2 | CAK | 179.1° | 180.0° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| C6 | N1 | C2 | O2 | 179.0° | 180.0° |
| C6 | N1 | CAK | CAL | 61.8° | 90.0° |
| C6 | N1 | CAK | HAK | 178.2° | 150.0° |
| C6 | N1 | CAK | HAKA | 56.0° | 30.0° |
| C5 | N7 | CAA | C8 | 179.6° | 180.0° |
| N7 | C5 | C4 | N9 | 0.3° | 0.0° |
| N7 | C5 | C4 | N3 | 179.6° | 179.9° |
| C5 | N7 | CAA | HAA | 155.4° | 90.0° |
| C5 | N7 | CAA | HAAA | 35.4° | 150.0° |
| C5 | N7 | CAA | HAAB | 84.7° | 30.0° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C4 | C5 | N7 | CAA | 179.7° | 179.9° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | N3 | 179.3° | 180.0° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C5 | C4 | N3 | CAC | 179.3° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.2° |
| N1 | C2 | N3 | C4 | 0.7° | 0.2° |
| N1 | C2 | N3 | CAC | 179.9° | 180.0° |
| N1 | C2 | N3 | O2 | 179.9° | 180.0° |
| C2 | N1 | CAK | CAL | 119.1° | 90.0° |
| C2 | N1 | CAK | HAK | 0.9° | 30.0° |
| C2 | N1 | CAK | HAKA | 123.1° | 150.0° |
| CAK | N1 | C2 | N3 | 179.8° | 180.0° |
| CAK | N1 | C2 | O2 | 0.1° | 0.0° |
| N1 | CAK | CAL | HAK | 120.0° | 120.0° |
| N1 | CAK | CAL | HAKA | 117.8° | 120.0° |
| N1 | CAK | HAK | HAKA | 118.0° | 120.0° |
| N1 | CAK | CAL | CA0 | 71.3° | 180.0° |
| N1 | CAK | CAL | HAL | 168.7° | 60.0° |
| N1 | CAK | CAL | HALA | 47.0° | 60.0° |
| N7 | CAA | HAA | HAAA | 120.0° | 120.1° |
| N7 | CAA | HAA | HAAB | 120.0° | 120.0° |
| N7 | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | N7 | C8 | N9 | 180.0° | 180.0° |
| CAA | N7 | C8 | H8 | 0.0° | 0.0° |
| N7 | C8 | N9 | C4 | 0.5° | 0.0° |
| C8 | N7 | CAA | HAA | 24.3° | 90.0° |
| C8 | N7 | CAA | HAAA | 144.3° | 30.1° |
| C8 | N7 | CAA | HAAB | 95.7° | 150.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| N9 | C4 | N3 | CAC | 0.1° | 0.1° |
| N9 | C4 | N3 | C2 | 179.3° | 179.8° |
| N3 | C4 | N9 | C8 | 179.7° | 179.9° |
| C4 | N3 | CAC | C2 | 179.5° | 179.8° |
| C4 | N3 | CAC | HAC | 166.5° | 90.0° |
| C4 | N3 | CAC | HACA | 73.5° | 150.0° |
| C4 | N3 | CAC | HACB | 46.5° | 30.0° |
| C4 | N3 | C2 | O2 | 179.4° | 179.8° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| N3 | CAC | HAC | HACA | 120.0° | 119.9° |
| N3 | CAC | HAC | HACB | 120.0° | 120.0° |
| N3 | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | N3 | C2 | O2 | 0.0° | 0.0° |
| C2 | N3 | CAC | HAC | 13.0° | 89.8° |
| C2 | N3 | CAC | HACA | 107.0° | 30.2° |
| C2 | N3 | CAC | HACB | 133.0° | 150.2° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| CAL | CAK | HAK | HAKA | 118.0° | 120.0° |
| CAK | CAL | CA0 | HAL | 120.0° | 120.0° |
| CAK | CAL | CA0 | HALA | 118.4° | 120.0° |
| CAK | CAL | HAL | HALA | 118.5° | 120.0° |
| CAK | CAL | CA0 | N10 | 56.7° | 180.0° |
| CAK | CAL | CA0 | HA0 | 63.3° | 60.0° |
| CAK | CAL | CA0 | HA0A | 176.3° | 60.1° |
| HAK | CAK | CAL | CA0 | 48.7° | 60.0° |
| HAK | CAK | CAL | HAL | 71.3° | 180.0° |
| HAK | CAK | CAL | HALA | 167.0° | 60.0° |
| HAKA | CAK | CAL | CA0 | 170.9° | 60.0° |
| HAKA | CAK | CAL | HAL | 50.9° | 60.0° |
| HAKA | CAK | CAL | HALA | 70.8° | 180.0° |
| CA0 | CAL | HAL | HALA | 118.4° | 120.0° |
| CAL | CA0 | N10 | HA0 | 120.0° | 120.0° |
| CAL | CA0 | N10 | HA0A | 119.6° | 120.0° |
| CAL | CA0 | HA0 | HA0A | 119.6° | 120.1° |
| CAL | CA0 | N10 | CAP | 52.7° | 90.0° |
| CAL | CA0 | N10 | CAR | 126.7° | 90.3° |
| HAL | CAL | CA0 | N10 | 176.7° | 60.0° |
| HAL | CAL | CA0 | HA0 | 56.7° | 180.0° |
| HAL | CAL | CA0 | HA0A | 63.7° | 59.9° |
| HALA | CAL | CA0 | N10 | 61.7° | 60.0° |
| HALA | CAL | CA0 | HA0 | 178.3° | 59.9° |
| HALA | CAL | CA0 | HA0A | 57.9° | 180.0° |
| N10 | CA0 | HA0 | HA0A | 119.7° | 119.9° |
| CA0 | N10 | CAP | CAR | 179.5° | 179.7° |
| CA0 | N10 | CAP | OAF | 0.2° | 0.0° |
| CA0 | N10 | CAP | CAV | 179.1° | 180.0° |
| CA0 | N10 | CAR | NAZ | 179.3° | 180.0° |
| CA0 | N10 | CAR | OAH | 0.8° | 0.0° |
| HA0 | CA0 | N10 | CAP | 172.7° | 30.0° |
| HA0 | CA0 | N10 | CAR | 6.8° | 149.7° |
| HA0A | CA0 | N10 | CAP | 66.9° | 149.9° |
| HA0A | CA0 | N10 | CAR | 113.6° | 29.7° |
| N10 | CAP | OAF | CAV | 178.9° | 179.9° |
| CAP | N10 | CAR | NAZ | 0.2° | 0.3° |
| CAP | N10 | CAR | OAH | 179.7° | 179.7° |
| N10 | CAP | CAV | NAX | 179.4° | 180.0° |
| N10 | CAP | CAV | CAT | 0.6° | 0.1° |
| CAR | N10 | CAP | OAF | 179.2° | 179.7° |
| CAR | N10 | CAP | CAV | 0.3° | 0.4° |
| N10 | CAR | NAZ | OAH | 179.9° | 180.0° |
| N10 | CAR | NAZ | CAT | 0.2° | 0.1° |
| N10 | CAR | NAZ | CAD | 179.5° | 180.0° |
| OAF | CAP | CAV | NAX | 1.6° | 0.0° |
| OAF | CAP | CAV | CAT | 179.5° | 180.0° |
| CAP | CAV | NAX | CAT | 179.0° | 180.0° |
| CAP | CAV | NAX | CAJ | 179.5° | 180.0° |
| CAP | CAV | CAT | NAN | 179.5° | 180.0° |
| CAP | CAV | CAT | NAZ | 0.6° | 0.3° |
| CAR | NAZ | CAT | CAV | 0.4° | 0.3° |
| CAR | NAZ | CAT | NAN | 179.7° | 179.9° |
| CAR | NAZ | CAT | CAD | 179.3° | 179.9° |
| CAR | NAZ | CAD | HAD | 12.1° | 0.0° |
| CAR | NAZ | CAD | HADA | 107.8° | 120.0° |
| CAR | NAZ | CAD | HADB | 132.1° | 120.1° |
| OAH | CAR | NAZ | CAT | 179.7° | 180.0° |
| OAH | CAR | NAZ | CAD | 0.3° | 0.0° |
| NAX | CAV | CAT | NAN | 0.4° | 0.0° |
| NAX | CAV | CAT | NAZ | 179.7° | 179.7° |
| CAV | NAX | CAJ | NAN | 0.4° | 0.0° |
| CAV | NAX | CAJ | HAJ | 179.6° | 180.0° |
| CAT | CAV | NAX | CAJ | 0.5° | 0.0° |
| CAV | CAT | NAN | NAZ | 179.9° | 179.6° |
| CAV | CAT | NAN | CAJ | 0.1° | 0.0° |
| CAV | CAT | NAN | HNAN | 179.9° | 180.0° |
| CAV | CAT | NAZ | CAD | 179.7° | 179.7° |
| NAX | CAJ | NAN | CAT | 0.2° | 0.0° |
| NAX | CAJ | NAN | HAJ | 180.0° | 179.9° |
| NAX | CAJ | NAN | HNAN | 179.9° | 180.0° |
| CAT | NAN | CAJ | HNAN | 180.0° | 180.0° |
| CAT | NAN | CAJ | HAJ | 179.8° | 180.0° |
| NAN | CAT | NAZ | CAD | 0.4° | 0.2° |
| NAZ | CAT | NAN | CAJ | 180.0° | 179.6° |
| NAZ | CAT | NAN | HNAN | 0.0° | 0.4° |
| CAT | NAZ | CAD | HAD | 168.5° | 179.9° |
| CAT | NAZ | CAD | HADA | 71.5° | 59.9° |
| CAT | NAZ | CAD | HADB | 48.5° | 60.0° |
| HAJ | CAJ | NAN | HNAN | 0.2° | 0.1° |
| NAZ | CAD | HAD | HADA | 120.0° | 120.0° |
| NAZ | CAD | HAD | HADB | 120.0° | 120.1° |
| NAZ | CAD | HADA | HADB | 120.0° | 120.0° |
| HAD | CAD | HADA | HADB | 120.0° | 120.0° |
