N16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | NAO | sing | 1.40Å | 1.32Å | |
| CAV | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| NAO | CAQ | sing | 1.35Å | 1.33Å | |
| OAB | CAR | doub | 1.22Å | 1.23Å | |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAA | sing | 1.51Å | 1.54Å | |
| CAQ | CAT | doub | 1.38Å | 1.42Å | |
| CAR | CAT | sing | 1.47Å | 1.40Å | |
| CAR | N | sing | 1.34Å | 1.34Å | |
| CAT | C | sing | 1.42Å | 1.40Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAI | CAE | 120.2° | 120.1° |
| CAI | CAM | CAV | 119.4° | 119.9° |
| CAM | CAI | HAI | 119.9° | 119.9° |
| CAI | CAM | HAM | 120.3° | 120.1° |
| CAI | CAE | CAH | 119.6° | 120.1° |
| CAI | CAE | HAE | 120.2° | 119.9° |
| CAE | CAI | HAI | 119.9° | 120.0° |
| CAM | CAV | NAO | 121.4° | 120.0° |
| CAM | CAV | CAL | 121.1° | 119.9° |
| CAV | CAM | HAM | 120.3° | 120.1° |
| CAE | CAH | CAL | 120.3° | 120.1° |
| CAE | CAH | HAH | 119.9° | 119.9° |
| CAH | CAE | HAE | 120.2° | 119.9° |
| NAO | CAV | CAL | 117.4° | 120.1° |
| CAV | NAO | CAQ | 124.4° | 120.0° |
| CAV | NAO | HNAO | 117.8° | 120.0° |
| CAV | CAL | CAH | 119.3° | 119.9° |
| CAV | CAL | HAL | 120.3° | 120.1° |
| NAO | CAQ | CAA | 119.2° | 120.0° |
| NAO | CAQ | CAT | 116.9° | 120.0° |
| CAQ | NAO | HNAO | 117.8° | 120.0° |
| OAB | CAR | CAT | 123.6° | 124.7° |
| OAB | CAR | N | 122.8° | 124.8° |
| CAH | CAL | HAL | 120.3° | 120.0° |
| CAL | CAH | HAH | 119.8° | 120.0° |
| CAA | CAQ | CAT | 123.9° | 120.0° |
| CAQ | CAA | HAA | 109.5° | 109.5° |
| CAQ | CAA | HAAA | 109.5° | 109.5° |
| CAQ | CAA | HAAB | 109.5° | 109.5° |
| CAQ | CAT | CAR | 123.4° | 125.9° |
| CAQ | CAT | C | 130.0° | 125.9° |
| CAT | CAR | N | 113.6° | 110.5° |
| CAR | CAT | C | 106.6° | 108.2° |
| CAR | N | CA | 108.2° | 109.2° |
| CAR | N | HN | 125.9° | 125.4° |
| CAT | C | CA | 108.3° | 105.8° |
| CAT | C | O | 128.1° | 127.1° |
| N | CA | C | 103.2° | 106.3° |
| N | CA | CB | 109.7° | 110.1° |
| N | CA | HA | 114.1° | 110.1° |
| CA | N | HN | 125.9° | 125.4° |
| CA | C | O | 123.5° | 127.1° |
| C | CA | CB | 111.4° | 110.1° |
| C | CA | HA | 112.4° | 110.1° |
| CA | CB | CG | 109.4° | 109.4° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.5° |
| CB | CA | HA | 106.2° | 110.1° |
| CB | CG | CD2 | 120.2° | 120.0° |
| CB | CG | CD1 | 120.2° | 120.0° |
| CG | CB | HB | 109.5° | 109.5° |
| CG | CB | HBA | 109.5° | 109.5° |
| CG | CD2 | CE2 | 118.9° | 120.0° |
| CD2 | CG | CD1 | 119.6° | 120.0° |
| CG | CD2 | HD2 | 120.5° | 120.0° |
| CD2 | CE2 | CZ | 121.5° | 120.0° |
| CD2 | CE2 | HE2 | 119.3° | 120.0° |
| CE2 | CD2 | HD2 | 120.6° | 120.0° |
| CG | CD1 | CE1 | 121.6° | 120.0° |
| CG | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 118.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | HE1 | 120.6° | 120.0° |
| CE2 | CZ | CE1 | 119.7° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.1° |
| CZ | CE2 | HE2 | 119.3° | 120.0° |
| CZ | CE1 | HE1 | 120.6° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 120.0° |
| HB | CB | HBA | 109.4° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAI | CAE | HAI | 180.0° | 179.4° |
| CAI | CAM | CAV | HAM | 180.0° | 179.4° |
| CAM | CAI | CAE | CAH | 0.1° | 0.3° |
| CAI | CAM | CAV | NAO | 178.5° | 179.7° |
| CAI | CAM | CAV | CAL | 2.1° | 0.6° |
| CAM | CAI | CAE | HAE | 179.9° | 179.7° |
| CAE | CAI | CAM | CAV | 0.7° | 0.6° |
| CAI | CAE | CAH | HAE | 180.0° | 180.0° |
| CAI | CAE | CAH | CAL | 0.4° | 0.0° |
| CAI | CAE | CAH | HAH | 179.6° | 180.0° |
| CAE | CAI | CAM | HAM | 179.2° | 180.0° |
| CAM | CAV | NAO | CAL | 176.5° | 179.7° |
| CAM | CAV | NAO | CAQ | 125.6° | 172.7° |
| CAM | CAV | CAL | CAH | 2.5° | 0.3° |
| CAM | CAV | NAO | HNAO | 54.4° | 7.4° |
| CAM | CAV | CAL | HAL | 177.5° | 179.7° |
| CAV | CAM | CAI | HAI | 179.3° | 180.0° |
| CAE | CAH | CAL | CAV | 1.7° | 0.0° |
| CAE | CAH | CAL | HAH | 180.0° | 180.0° |
| CAE | CAH | CAL | HAL | 178.3° | 180.0° |
| CAH | CAE | CAI | HAI | 179.9° | 179.7° |
| CAV | NAO | CAQ | HNAO | 180.0° | 179.9° |
| NAO | CAV | CAL | CAH | 179.1° | 180.0° |
| CAV | NAO | CAQ | CAA | 2.4° | 61.1° |
| CAV | NAO | CAQ | CAT | 177.7° | 118.9° |
| NAO | CAV | CAL | HAL | 0.9° | 0.0° |
| NAO | CAV | CAM | HAM | 1.5° | 0.3° |
| CAL | CAV | NAO | CAQ | 57.8° | 7.6° |
| CAV | CAL | CAH | HAL | 180.0° | 180.0° |
| CAL | CAV | NAO | HNAO | 122.2° | 172.3° |
| CAV | CAL | CAH | HAH | 178.3° | 180.0° |
| CAL | CAV | CAM | HAM | 177.9° | 180.0° |
| NAO | CAQ | CAA | CAT | 179.9° | 180.0° |
| NAO | CAQ | CAT | CAR | 0.6° | 0.1° |
| NAO | CAQ | CAT | C | 179.2° | 180.0° |
| NAO | CAQ | CAA | HAA | 114.3° | 93.3° |
| NAO | CAQ | CAA | HAAA | 5.7° | 26.7° |
| NAO | CAQ | CAA | HAAB | 125.7° | 146.8° |
| OAB | CAR | CAT | CAQ | 0.7° | 0.1° |
| OAB | CAR | CAT | N | 179.9° | 180.0° |
| OAB | CAR | CAT | C | 179.5° | 180.0° |
| OAB | CAR | N | CA | 179.5° | 180.0° |
| OAB | CAR | N | HN | 0.5° | 0.1° |
| CAL | CAH | CAE | HAE | 179.7° | 180.0° |
| CAA | CAQ | CAT | CAR | 179.5° | 180.0° |
| CAA | CAQ | CAT | C | 0.8° | 0.0° |
| CAQ | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAQ | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAQ | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAQ | NAO | HNAO | 177.6° | 119.0° |
| CAQ | CAT | CAR | C | 178.9° | 179.9° |
| CAQ | CAT | CAR | N | 179.5° | 179.9° |
| CAQ | CAT | C | CA | 179.9° | 180.0° |
| CAQ | CAT | C | O | 1.4° | 0.0° |
| CAT | CAQ | CAA | HAA | 65.7° | 86.6° |
| CAT | CAQ | CAA | HAAA | 174.2° | 153.3° |
| CAT | CAQ | CAA | HAAB | 54.2° | 33.3° |
| CAT | CAQ | NAO | HNAO | 2.3° | 61.1° |
| CAT | CAR | N | CA | 0.4° | 0.1° |
| CAR | CAT | C | CA | 1.3° | 0.0° |
| CAR | CAT | C | O | 179.8° | 180.0° |
| CAT | CAR | N | HN | 179.6° | 179.9° |
| N | CAR | CAT | C | 0.6° | 0.0° |
| CAR | N | CA | HN | 180.0° | 179.9° |
| CAR | N | CA | C | 1.1° | 0.1° |
| CAR | N | CA | CB | 119.9° | 119.2° |
| CAR | N | CA | HA | 121.1° | 119.3° |
| CAT | C | CA | N | 1.5° | 0.1° |
| CAT | C | CA | O | 178.6° | 180.0° |
| CAT | C | CA | CB | 119.1° | 119.2° |
| CAT | C | CA | HA | 121.8° | 119.3° |
| N | CA | C | CB | 117.6° | 119.3° |
| N | CA | C | HA | 123.3° | 119.2° |
| N | CA | C | O | 179.9° | 179.9° |
| N | CA | CB | HA | 123.7° | 121.6° |
| N | CA | CB | CG | 83.8° | 67.2° |
| N | CA | CB | HB | 36.2° | 172.8° |
| N | CA | CB | HBA | 156.2° | 52.8° |
| C | CA | CB | HA | 122.7° | 121.5° |
| C | CA | CB | CG | 162.6° | 175.8° |
| C | CA | CB | HB | 77.4° | 55.8° |
| C | CA | CB | HBA | 42.6° | 64.2° |
| C | CA | N | HN | 178.9° | 180.0° |
| O | C | CA | CB | 62.4° | 60.8° |
| O | C | CA | HA | 56.7° | 60.7° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | CG | CD2 | 88.9° | 90.0° |
| CA | CB | CG | CD1 | 91.2° | 90.6° |
| CA | CB | HB | HBA | 120.0° | 120.0° |
| CB | CA | N | HN | 60.1° | 60.7° |
| CB | CG | CD2 | CD1 | 179.9° | 179.4° |
| CB | CG | CD2 | CE2 | 180.0° | 180.0° |
| CB | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.3° |
| CB | CG | CD2 | HD2 | 0.0° | 0.6° |
| CG | CB | HB | HBA | 120.1° | 120.0° |
| CG | CB | CA | HA | 39.9° | 54.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.6° |
| CG | CD2 | CE2 | CZ | 0.3° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.7° | 179.7° |
| CD2 | CG | CB | HB | 151.1° | 150.0° |
| CD2 | CG | CB | HBA | 31.1° | 30.0° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.6° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.1° |
| CD2 | CE2 | CZ | HZ | 179.9° | 180.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.5° | 0.2° |
| CG | CD1 | CE1 | HE1 | 179.5° | 179.7° |
| CD1 | CG | CD2 | HD2 | 180.0° | 180.0° |
| CD1 | CG | CB | HB | 28.8° | 29.4° |
| CD1 | CG | CB | HBA | 148.8° | 149.4° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.1° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | HZ | 179.7° | 180.0° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.8° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.7° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.5° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.1° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HZ | CZ | CE2 | HE2 | 0.1° | 0.1° |
| HE2 | CE2 | CD2 | HD2 | 0.3° | 0.2° |
| HB | CB | CA | HA | 160.0° | 65.7° |
| HBA | CB | CA | HA | 80.1° | 174.3° |
| HA | CA | N | HN | 58.9° | 60.8° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAL | CAL | CAH | HAH | 1.7° | 0.0° |
| HAH | CAH | CAE | HAE | 0.3° | 0.0° |
| HAE | CAE | CAI | HAI | 0.1° | 0.3° |
| HAI | CAI | CAM | HAM | 0.8° | 0.6° |
