K7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAK | CAR | sing | 1.38Å | 1.43Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.42Å | Aromatic |
| CAL | CAR | doub | 1.38Å | 1.44Å | Aromatic |
| CAR | CAM | sing | 1.51Å | 1.51Å | |
| CAM | CAV | sing | 1.53Å | 1.54Å | |
| CAV | NAO | sing | 1.47Å | 1.47Å | |
| CAV | CAT | sing | 1.53Å | 1.55Å | |
| OAG | CAT | sing | 1.43Å | 1.30Å | |
| NAO | CAQ | sing | 1.35Å | 1.33Å | |
| CAQ | OAF | doub | 1.21Å | 1.24Å | |
| CAQ | CAU | sing | 1.51Å | 1.52Å | |
| CAU | CAC | sing | 1.53Å | 1.53Å | |
| CAU | NAN | sing | 1.47Å | 1.46Å | |
| NAN | C | sing | 1.35Å | 1.33Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CAT | CAB | sing | 1.53Å | 1.56Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAU | HAU | 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 | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CAT | HAT | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAK | CAR | 120.8° | 120.0° |
| CAK | CAI | CAH | 120.0° | 120.0° |
| CAI | CAK | HAK | 119.6° | 120.0° |
| CAK | CAI | HAI | 120.0° | 120.0° |
| CAK | CAR | CAL | 118.7° | 120.0° |
| CAK | CAR | CAM | 119.3° | 120.0° |
| CAR | CAK | HAK | 119.6° | 120.0° |
| CAI | CAH | CAJ | 120.1° | 120.0° |
| CAH | CAI | HAI | 120.0° | 120.0° |
| CAI | CAH | HAH | 120.0° | 120.0° |
| CAH | CAJ | CAL | 120.1° | 120.0° |
| CAJ | CAH | HAH | 120.0° | 120.0° |
| CAH | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | CAR | 120.2° | 120.0° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | HAL | 119.9° | 120.0° |
| CAL | CAR | CAM | 121.9° | 120.0° |
| CAR | CAL | HAL | 119.9° | 120.0° |
| CAR | CAM | CAV | 115.5° | 109.5° |
| CAR | CAM | HAM | 107.5° | 109.5° |
| CAR | CAM | HAMA | 106.1° | 109.5° |
| CAM | CAV | NAO | 110.0° | 109.4° |
| CAM | CAV | CAT | 109.7° | 109.5° |
| CAV | CAM | HAM | 107.5° | 109.5° |
| CAV | CAM | HAMA | 106.1° | 109.4° |
| CAM | CAV | HAV | 110.7° | 109.5° |
| NAO | CAV | CAT | 114.2° | 109.5° |
| CAV | NAO | CAQ | 121.8° | 120.0° |
| NAO | CAV | HAV | 105.9° | 109.4° |
| CAV | NAO | HNAO | 119.1° | 120.0° |
| CAV | CAT | OAG | 110.0° | 109.4° |
| CAV | CAT | CAB | 112.0° | 109.5° |
| CAT | CAV | HAV | 106.3° | 109.5° |
| CAV | CAT | HAT | 107.5° | 109.5° |
| OAG | CAT | CAB | 109.9° | 109.5° |
| CAT | OAG | HOAG | 109.5° | 114.1° |
| OAG | CAT | HAT | 109.8° | 109.5° |
| NAO | CAQ | OAF | 122.9° | 120.0° |
| NAO | CAQ | CAU | 115.9° | 120.0° |
| CAQ | NAO | HNAO | 119.0° | 119.9° |
| OAF | CAQ | CAU | 120.0° | 120.0° |
| CAQ | CAU | CAC | 110.6° | 109.5° |
| CAQ | CAU | NAN | 104.2° | 109.5° |
| CAQ | CAU | HAU | 113.1° | 109.5° |
| CAC | CAU | NAN | 112.1° | 109.4° |
| CAC | CAU | HAU | 105.4° | 109.5° |
| CAU | CAC | HAC | 109.5° | 109.5° |
| CAU | CAC | HACA | 109.5° | 109.5° |
| CAU | CAC | HACB | 109.4° | 109.4° |
| CAU | NAN | C | 124.3° | 120.0° |
| NAN | CAU | HAU | 111.7° | 109.5° |
| CAU | NAN | HNAN | 117.9° | 120.0° |
| NAN | C | O | 121.6° | 120.0° |
| NAN | C | CA | 116.3° | 120.0° |
| C | NAN | HNAN | 117.8° | 119.9° |
| O | C | CA | 119.9° | 120.0° |
| C | CA | CB | 110.2° | 109.5° |
| C | CA | N | 110.7° | 109.5° |
| C | CA | HA | 108.1° | 109.5° |
| CB | CA | N | 109.5° | 109.5° |
| CB | CA | HA | 109.4° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.5° |
| CA | CB | HBB | 109.4° | 109.4° |
| N | CA | HA | 108.9° | 109.4° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 110.9° |
| CAB | CAT | HAT | 107.6° | 109.5° |
| CAT | CAB | HAB | 109.5° | 109.4° |
| CAT | CAB | HABA | 109.5° | 109.4° |
| CAT | CAB | HABB | 109.4° | 109.5° |
| HAM | CAM | HAMA | 114.3° | 109.4° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.4° |
| HB | CB | HBA | 109.5° | 109.5° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.4° |
| HN | N | HNA | 109.5° | 111.1° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAK | CAR | HAK | 180.0° | 179.7° |
| CAK | CAI | CAH | HAI | 180.0° | 179.9° |
| CAK | CAI | CAH | CAJ | 2.6° | 0.1° |
| CAI | CAK | CAR | CAL | 2.5° | 0.1° |
| CAI | CAK | CAR | CAM | 173.7° | 180.0° |
| CAK | CAI | CAH | HAH | 177.4° | 180.0° |
| CAR | CAK | CAI | CAH | 1.0° | 0.0° |
| CAK | CAR | CAL | CAJ | 4.4° | 0.1° |
| CAK | CAR | CAL | CAM | 176.2° | 179.9° |
| CAK | CAR | CAM | CAV | 143.1° | 90.0° |
| CAR | CAK | CAI | HAI | 179.0° | 180.0° |
| CAK | CAR | CAL | HAL | 175.5° | 180.0° |
| CAK | CAR | CAM | HAM | 96.9° | 150.0° |
| CAK | CAR | CAM | HAMA | 25.9° | 30.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.7° | 0.1° |
| CAH | CAI | CAK | HAK | 179.1° | 179.8° |
| CAI | CAH | CAJ | HAJ | 179.3° | 180.0° |
| CAH | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAL | CAR | 2.9° | 0.0° |
| CAJ | CAH | CAI | HAI | 177.4° | 180.0° |
| CAH | CAJ | CAL | HAL | 177.1° | 180.0° |
| CAJ | CAL | CAR | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAR | CAM | 171.7° | 180.0° |
| CAL | CAJ | CAH | HAH | 179.3° | 180.0° |
| CAL | CAR | CAM | CAV | 33.1° | 90.1° |
| CAL | CAR | CAK | HAK | 177.5° | 179.7° |
| CAR | CAL | CAJ | HAJ | 177.1° | 179.9° |
| CAL | CAR | CAM | HAM | 87.0° | 30.0° |
| CAL | CAR | CAM | HAMA | 150.3° | 149.9° |
| CAR | CAM | CAV | HAM | 120.0° | 120.0° |
| CAR | CAM | CAV | HAMA | 117.2° | 120.0° |
| CAR | CAM | CAV | NAO | 75.1° | 65.0° |
| CAR | CAM | CAV | CAT | 158.5° | 175.0° |
| CAM | CAR | CAK | HAK | 6.3° | 0.3° |
| CAM | CAR | CAL | HAL | 8.3° | 0.0° |
| CAR | CAM | HAM | HAMA | 117.5° | 120.0° |
| CAR | CAM | CAV | HAV | 41.6° | 55.0° |
| CAM | CAV | NAO | CAT | 123.8° | 120.0° |
| CAM | CAV | NAO | HAV | 119.7° | 119.9° |
| CAM | CAV | CAT | HAV | 119.7° | 120.0° |
| CAM | CAV | CAT | OAG | 78.5° | 60.0° |
| CAM | CAV | NAO | CAQ | 125.5° | 155.0° |
| CAM | CAV | CAT | CAB | 159.1° | 180.0° |
| CAV | CAM | HAM | HAMA | 117.5° | 119.9° |
| CAM | CAV | NAO | HNAO | 54.5° | 25.0° |
| CAM | CAV | CAT | HAT | 41.0° | 60.0° |
| NAO | CAV | CAT | HAV | 116.3° | 120.0° |
| NAO | CAV | CAT | OAG | 157.5° | 180.0° |
| CAV | NAO | CAQ | HNAO | 180.0° | 180.0° |
| CAV | NAO | CAQ | OAF | 21.3° | 0.1° |
| CAV | NAO | CAQ | CAU | 146.4° | 180.0° |
| NAO | CAV | CAT | CAB | 35.1° | 60.0° |
| NAO | CAV | CAM | HAM | 164.9° | 175.0° |
| NAO | CAV | CAM | HAMA | 42.1° | 55.1° |
| NAO | CAV | CAT | HAT | 83.0° | 60.0° |
| CAV | CAT | OAG | CAB | 123.7° | 120.0° |
| CAV | CAT | OAG | HAT | 118.1° | 120.0° |
| CAT | CAV | NAO | CAQ | 110.7° | 85.0° |
| CAV | CAT | CAB | HAT | 118.0° | 120.0° |
| CAT | CAV | CAM | HAM | 38.5° | 55.0° |
| CAT | CAV | CAM | HAMA | 84.2° | 64.9° |
| CAV | CAT | OAG | HOAG | 7.4° | 60.0° |
| CAT | CAV | NAO | HNAO | 69.4° | 95.0° |
| CAV | CAT | CAB | HAB | 155.9° | 60.0° |
| CAV | CAT | CAB | HABA | 35.9° | 179.9° |
| CAV | CAT | CAB | HABB | 84.1° | 60.0° |
| OAG | CAT | CAB | HAT | 119.5° | 120.0° |
| OAG | CAT | CAV | HAV | 41.2° | 60.0° |
| OAG | CAT | CAB | HAB | 81.6° | 59.9° |
| OAG | CAT | CAB | HABA | 158.4° | 60.0° |
| OAG | CAT | CAB | HABB | 38.4° | 179.9° |
| NAO | CAQ | OAF | CAU | 167.2° | 179.9° |
| NAO | CAQ | CAU | CAC | 125.3° | 60.0° |
| NAO | CAQ | CAU | NAN | 114.1° | 180.0° |
| CAQ | NAO | CAV | HAV | 5.9° | 35.0° |
| NAO | CAQ | CAU | HAU | 7.3° | 60.0° |
| OAF | CAQ | CAU | CAC | 66.7° | 120.0° |
| OAF | CAQ | CAU | NAN | 53.9° | 0.1° |
| OAF | CAQ | NAO | HNAO | 158.7° | 180.0° |
| OAF | CAQ | CAU | HAU | 175.4° | 120.0° |
| CAQ | CAU | CAC | NAN | 115.8° | 120.0° |
| CAQ | CAU | CAC | HAU | 122.6° | 120.0° |
| CAQ | CAU | NAN | HAU | 122.4° | 120.0° |
| CAQ | CAU | NAN | C | 156.5° | 155.0° |
| CAU | CAQ | NAO | HNAO | 33.6° | 0.0° |
| CAQ | CAU | CAC | HAC | 58.1° | 180.0° |
| CAQ | CAU | CAC | HACA | 178.1° | 59.9° |
| CAQ | CAU | CAC | HACB | 62.0° | 60.0° |
| CAQ | CAU | NAN | HNAN | 23.5° | 25.0° |
| CAC | CAU | NAN | HAU | 118.0° | 120.0° |
| CAC | CAU | NAN | C | 83.9° | 85.0° |
| CAU | CAC | HAC | HACA | 120.0° | 120.0° |
| CAU | CAC | HAC | HACB | 120.0° | 120.0° |
| CAU | CAC | HACA | HACB | 120.0° | 119.9° |
| CAC | CAU | NAN | HNAN | 96.1° | 95.0° |
| CAU | NAN | C | HNAN | 180.0° | 180.0° |
| CAU | NAN | C | O | 97.9° | 0.0° |
| CAU | NAN | C | CA | 99.3° | 180.0° |
| NAN | CAU | CAC | HAC | 173.8° | 60.0° |
| NAN | CAU | CAC | HACA | 66.2° | 60.1° |
| NAN | CAU | CAC | HACB | 53.8° | 180.0° |
| NAN | C | O | CA | 162.3° | 180.0° |
| NAN | C | CA | CB | 57.2° | 60.0° |
| NAN | C | CA | N | 178.4° | 180.0° |
| C | NAN | CAU | HAU | 34.1° | 35.0° |
| NAN | C | CA | HA | 62.4° | 60.0° |
| O | C | CA | CB | 106.0° | 120.0° |
| O | C | CA | N | 15.2° | 0.1° |
| O | C | NAN | HNAN | 82.2° | 180.0° |
| O | C | CA | HA | 134.5° | 120.0° |
| C | CA | CB | N | 122.0° | 120.0° |
| C | CA | CB | HA | 118.8° | 120.0° |
| C | CA | N | HA | 118.7° | 120.0° |
| CA | C | NAN | HNAN | 80.7° | 0.0° |
| C | CA | CB | HB | 120.7° | 60.0° |
| C | CA | CB | HBA | 0.7° | 180.0° |
| C | CA | CB | HBB | 119.3° | 60.0° |
| C | CA | N | HN | 63.9° | 56.1° |
| C | CA | N | HNA | 56.1° | 180.0° |
| CB | CA | N | HA | 119.5° | 120.0° |
| CA | CB | HB | HBA | 120.0° | 120.1° |
| CA | CB | HB | HBB | 120.0° | 120.0° |
| CA | CB | HBA | HBB | 120.0° | 119.9° |
| CB | CA | N | HN | 174.4° | 64.0° |
| CB | CA | N | HNA | 65.6° | 60.0° |
| N | CA | CB | HB | 1.3° | 180.0° |
| N | CA | CB | HBA | 121.3° | 59.9° |
| N | CA | CB | HBB | 118.7° | 60.0° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| CAB | CAT | CAV | HAV | 81.3° | 60.0° |
| CAB | CAT | OAG | HOAG | 116.3° | 59.9° |
| CAT | CAB | HAB | HABA | 120.0° | 119.9° |
| CAT | CAB | HAB | HABB | 120.0° | 120.0° |
| CAT | CAB | HABA | HABB | 120.0° | 120.0° |
| HAK | CAK | CAI | HAI | 0.9° | 0.3° |
| HAI | CAI | CAH | HAH | 2.6° | 0.0° |
| HAH | CAH | CAJ | HAJ | 0.7° | 0.1° |
| HAJ | CAJ | CAL | HAL | 2.9° | 0.1° |
| HAM | CAM | CAV | HAV | 78.5° | 65.1° |
| HAMA | CAM | CAV | HAV | 158.8° | 175.0° |
| HAV | CAV | NAO | HNAO | 174.1° | 145.0° |
| HAV | CAV | CAT | HAT | 160.7° | 180.0° |
| HOAG | OAG | CAT | HAT | 125.5° | 180.0° |
| HAU | CAU | CAC | HAC | 64.5° | 60.0° |
| HAU | CAU | CAC | HACA | 55.5° | 179.9° |
| HAU | CAU | CAC | HACB | 175.4° | 60.0° |
| HAU | CAU | NAN | HNAN | 146.0° | 145.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HA | CA | CB | HB | 120.5° | 60.1° |
| HA | CA | CB | HBA | 119.5° | 60.0° |
| HA | CA | CB | HBB | 0.5° | 179.9° |
| HA | CA | N | HN | 54.9° | 176.0° |
| HA | CA | N | HNA | 174.9° | 60.0° |
| HB | CB | HBA | HBB | 120.0° | 120.0° |
| HAT | CAT | CAB | HAB | 37.9° | 180.0° |
| HAT | CAT | CAB | HABA | 82.1° | 60.1° |
| HAT | CAT | CAB | HABB | 157.9° | 60.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
