P6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.19Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C11 | C02 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.48Å | 1.61Å | |
| C09 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C10 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.50Å | 1.60Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C02 | 123.4° | 121.2° |
| O12 | C11 | C10 | 119.1° | 121.2° |
| C01 | C02 | C11 | 113.3° | 109.9° |
| C01 | C02 | C03 | 111.8° | 109.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C01 | C02 | H021 | 107.3° | 109.8° |
| C02 | C11 | C10 | 117.5° | 117.7° |
| C11 | C02 | C03 | 109.2° | 107.4° |
| C11 | C02 | H021 | 107.8° | 109.9° |
| C11 | C10 | C09 | 120.1° | 119.7° |
| C11 | C10 | C05 | 117.4° | 120.1° |
| C10 | C09 | C08 | 117.5° | 119.7° |
| C09 | C10 | C05 | 122.5° | 120.2° |
| C10 | C09 | H091 | 121.3° | 120.1° |
| C09 | C08 | C07 | 120.3° | 120.0° |
| C09 | C08 | H081 | 119.8° | 120.0° |
| C08 | C09 | H091 | 121.2° | 120.2° |
| C02 | C03 | C04 | 114.6° | 109.4° |
| C03 | C02 | H021 | 107.3° | 110.0° |
| C02 | C03 | H031 | 108.2° | 109.5° |
| C02 | C03 | H032 | 108.1° | 109.5° |
| C10 | C05 | C04 | 121.6° | 121.6° |
| C10 | C05 | C06 | 119.2° | 119.3° |
| C08 | C07 | C06 | 121.6° | 120.5° |
| C08 | C07 | H071 | 119.2° | 119.7° |
| C07 | C08 | H081 | 119.9° | 120.0° |
| C03 | C04 | C05 | 113.5° | 111.2° |
| C04 | C03 | H031 | 108.2° | 109.4° |
| C04 | C03 | H032 | 108.2° | 109.5° |
| C03 | C04 | H041 | 108.5° | 109.2° |
| C03 | C04 | H042 | 108.4° | 109.1° |
| C04 | C05 | C06 | 119.2° | 119.1° |
| C05 | C04 | H041 | 108.4° | 109.2° |
| C05 | C04 | H042 | 108.5° | 109.0° |
| C05 | C06 | C07 | 119.0° | 120.3° |
| C05 | C06 | H061 | 120.5° | 119.9° |
| C07 | C06 | H061 | 120.5° | 119.8° |
| C06 | C07 | H071 | 119.2° | 119.8° |
| H013 | C01 | H1 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H1 | C01 | H012 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C02 | C01 | 4.4° | 18.3° |
| O12 | C11 | C02 | C10 | 178.4° | 179.7° |
| O12 | C11 | C10 | C09 | 22.4° | 11.0° |
| O12 | C11 | C02 | C03 | 129.7° | 137.8° |
| O12 | C11 | C10 | C05 | 158.3° | 168.9° |
| O12 | C11 | C02 | H021 | 114.1° | 102.7° |
| C01 | C02 | C11 | C03 | 125.3° | 119.5° |
| C01 | C02 | C11 | H021 | 118.5° | 120.9° |
| C01 | C02 | C11 | C10 | 174.0° | 162.0° |
| C01 | C02 | C03 | H021 | 117.4° | 121.0° |
| C01 | C02 | C03 | C04 | 174.5° | 176.5° |
| C02 | C01 | H013 | H1 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H1 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 53.7° | 56.5° |
| C01 | C02 | C03 | H032 | 64.8° | 63.5° |
| C02 | C11 | C10 | C09 | 159.1° | 168.7° |
| C11 | C02 | C03 | H021 | 116.5° | 119.5° |
| C02 | C11 | C10 | C05 | 20.2° | 11.3° |
| C11 | C02 | C03 | C04 | 59.4° | 64.1° |
| C11 | C02 | C01 | H013 | 180.0° | 60.0° |
| C11 | C02 | C01 | H1 | 60.0° | 180.0° |
| C11 | C02 | C01 | H012 | 60.0° | 60.0° |
| C11 | C02 | C03 | H031 | 179.8° | 176.0° |
| C11 | C02 | C03 | H032 | 61.3° | 55.9° |
| C11 | C10 | C09 | C05 | 179.2° | 180.0° |
| C11 | C10 | C09 | C08 | 179.6° | 179.9° |
| C10 | C11 | C02 | C03 | 48.8° | 42.5° |
| C11 | C10 | C05 | C04 | 0.4° | 0.4° |
| C11 | C10 | C05 | C06 | 179.3° | 179.8° |
| C10 | C11 | C02 | H021 | 67.5° | 77.0° |
| C11 | C10 | C09 | H091 | 0.4° | 0.1° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.4° | 0.1° |
| C09 | C10 | C05 | C04 | 179.6° | 179.6° |
| C09 | C10 | C05 | C06 | 0.0° | 0.2° |
| C10 | C09 | C08 | H081 | 179.6° | 180.0° |
| C08 | C09 | C10 | C05 | 0.4° | 0.1° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.1° | 0.1° |
| C09 | C08 | C07 | H071 | 179.9° | 179.9° |
| C02 | C03 | C04 | H031 | 120.8° | 120.0° |
| C02 | C03 | C04 | H032 | 120.7° | 120.0° |
| C02 | C03 | C04 | C05 | 40.1° | 54.6° |
| C03 | C02 | C01 | H013 | 56.2° | 57.9° |
| C03 | C02 | C01 | H1 | 176.2° | 62.1° |
| C03 | C02 | C01 | H012 | 63.8° | 178.0° |
| C02 | C03 | H031 | H032 | 117.6° | 120.1° |
| C02 | C03 | C04 | H041 | 80.5° | 65.9° |
| C02 | C03 | C04 | H042 | 160.7° | 175.0° |
| C10 | C05 | C04 | C03 | 9.6° | 22.6° |
| C10 | C05 | C04 | C06 | 179.7° | 179.8° |
| C10 | C05 | C06 | C07 | 0.2° | 0.2° |
| C10 | C05 | C04 | H041 | 111.0° | 98.0° |
| C10 | C05 | C04 | H042 | 130.2° | 143.0° |
| C10 | C05 | C06 | H061 | 179.7° | 179.9° |
| C05 | C10 | C09 | H091 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | H061 | 179.8° | 180.0° |
| C07 | C08 | C09 | H091 | 179.6° | 179.9° |
| C03 | C04 | C05 | H041 | 120.6° | 120.5° |
| C03 | C04 | C05 | H042 | 120.6° | 120.4° |
| C03 | C04 | C05 | C06 | 170.7° | 157.6° |
| C04 | C03 | C02 | H021 | 57.1° | 55.4° |
| C04 | C03 | H031 | H032 | 117.7° | 120.0° |
| C03 | C04 | H041 | H042 | 118.2° | 119.2° |
| C04 | C05 | C06 | C07 | 179.9° | 179.7° |
| C05 | C04 | C03 | H031 | 160.8° | 174.6° |
| C05 | C04 | C03 | H032 | 80.7° | 65.4° |
| C05 | C04 | H041 | H042 | 118.2° | 119.1° |
| C04 | C05 | C06 | H061 | 0.1° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 68.7° | 81.9° |
| C06 | C05 | C04 | H042 | 50.1° | 37.2° |
| C05 | C06 | C07 | H071 | 179.8° | 179.9° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| H013 | C01 | H1 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 61.2° | 179.0° |
| H1 | C01 | C02 | H021 | 58.8° | 59.0° |
| H012 | C01 | C02 | H021 | 178.8° | 61.0° |
| H021 | C02 | C03 | H031 | 63.7° | 64.5° |
| H021 | C02 | C03 | H032 | 177.9° | 175.4° |
| H031 | C03 | C04 | H041 | 40.3° | 54.1° |
| H031 | C03 | C04 | H042 | 78.6° | 65.0° |
| H032 | C03 | C04 | H041 | 158.8° | 174.1° |
| H032 | C03 | C04 | H042 | 39.9° | 55.0° |
| H061 | C06 | C07 | H071 | 0.2° | 0.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
| H081 | C08 | C09 | H091 | 0.4° | 0.1° |
