NO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.62Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C04 | N05 | sing | 1.47Å | 1.53Å | |
| C06 | N05 | sing | 1.47Å | 1.47Å | |
| C03 | C02 | sing | 1.51Å | 1.61Å | |
| C01 | C02 | doub | 1.29Å | 1.32Å | |
| C01 | C16 | sing | 1.50Å | 1.41Å | |
| C02 | C13 | sing | 1.50Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.68Å | |
| C13 | C14 | sing | 1.53Å | 1.64Å | |
| C15 | C14 | sing | 1.53Å | 1.62Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 118.7° | 120.0° |
| C10 | C09 | C08 | 120.5° | 120.0° |
| C09 | C10 | H101 | 120.6° | 120.0° |
| C10 | C09 | H091 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C11 | C10 | H101 | 120.6° | 120.0° |
| C10 | C11 | H111 | 119.8° | 120.0° |
| C09 | C08 | C07 | 122.6° | 120.0° |
| C09 | C08 | H081 | 118.7° | 120.0° |
| C08 | C09 | H091 | 119.7° | 120.0° |
| C11 | C12 | C07 | 122.3° | 120.0° |
| C11 | C12 | H121 | 118.9° | 119.9° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C08 | C07 | C12 | 115.5° | 120.0° |
| C08 | C07 | C06 | 121.5° | 120.0° |
| C07 | C08 | H081 | 118.7° | 120.0° |
| C12 | C07 | C06 | 123.0° | 120.0° |
| C07 | C12 | H121 | 118.9° | 120.1° |
| C07 | C06 | N05 | 115.3° | 109.5° |
| C07 | C06 | H062 | 108.0° | 109.5° |
| C07 | C06 | H061 | 108.0° | 109.5° |
| C03 | C04 | N05 | 117.7° | 109.5° |
| C04 | C03 | C02 | 121.1° | 109.5° |
| C04 | C03 | H032 | 106.5° | 109.4° |
| C04 | C03 | H031 | 106.5° | 109.5° |
| C03 | C04 | H041 | 107.4° | 109.5° |
| C03 | C04 | H042 | 107.3° | 109.5° |
| C04 | N05 | C06 | 116.7° | 111.0° |
| N05 | C04 | H041 | 107.4° | 109.5° |
| N05 | C04 | H042 | 107.4° | 109.5° |
| C04 | N05 | H051 | 107.7° | 110.9° |
| N05 | C06 | H062 | 108.0° | 109.4° |
| N05 | C06 | H061 | 108.0° | 109.5° |
| C06 | N05 | H051 | 107.6° | 111.1° |
| C03 | C02 | C01 | 123.6° | 117.9° |
| C03 | C02 | C13 | 110.5° | 118.0° |
| C02 | C03 | H032 | 106.5° | 109.5° |
| C02 | C03 | H031 | 106.5° | 109.5° |
| C02 | C01 | C16 | 129.7° | 124.1° |
| C01 | C02 | C13 | 119.0° | 124.1° |
| C02 | C01 | H011 | 115.2° | 118.0° |
| C01 | C16 | C15 | 114.6° | 110.1° |
| C01 | C16 | H161 | 108.2° | 109.4° |
| C01 | C16 | H162 | 108.2° | 109.2° |
| C16 | C01 | H011 | 115.1° | 117.9° |
| C02 | C13 | C14 | 113.8° | 110.2° |
| C02 | C13 | H131 | 108.4° | 109.4° |
| C02 | C13 | H132 | 108.4° | 109.3° |
| C16 | C15 | C14 | 110.9° | 108.5° |
| C15 | C16 | H161 | 108.2° | 109.4° |
| C15 | C16 | H162 | 108.1° | 109.3° |
| C16 | C15 | H151 | 109.1° | 109.6° |
| C16 | C15 | H152 | 109.1° | 109.7° |
| C13 | C14 | C15 | 114.2° | 108.4° |
| C14 | C13 | H131 | 108.4° | 109.3° |
| C14 | C13 | H132 | 108.4° | 109.4° |
| C13 | C14 | H141 | 108.3° | 109.7° |
| C13 | C14 | H142 | 108.3° | 109.6° |
| C15 | C14 | H141 | 108.3° | 109.7° |
| C15 | C14 | H142 | 108.3° | 109.8° |
| C14 | C15 | H151 | 109.1° | 109.6° |
| C14 | C15 | H152 | 109.1° | 109.7° |
| H131 | C13 | H132 | 109.5° | 109.3° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.6° |
| H151 | C15 | H152 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.1° |
| C10 | C09 | C08 | H081 | 179.9° | 179.9° |
| C09 | C10 | C11 | H111 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C07 | 0.1° | 0.1° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C11 | C10 | C09 | H091 | 180.0° | 180.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 0.2° | 0.1° |
| C09 | C08 | C07 | C06 | 179.6° | 179.9° |
| C08 | C09 | C10 | H101 | 180.0° | 179.7° |
| C11 | C12 | C07 | C08 | 0.2° | 0.1° |
| C11 | C12 | C07 | H121 | 180.0° | 179.9° |
| C11 | C12 | C07 | C06 | 179.6° | 179.9° |
| C12 | C11 | C10 | H101 | 180.0° | 179.7° |
| C08 | C07 | C12 | C06 | 179.8° | 180.0° |
| C08 | C07 | C06 | N05 | 12.9° | 90.0° |
| C08 | C07 | C12 | H121 | 179.7° | 180.0° |
| C08 | C07 | C06 | H062 | 108.0° | 30.0° |
| C08 | C07 | C06 | H061 | 133.7° | 150.0° |
| C07 | C08 | C09 | H091 | 179.9° | 179.9° |
| C12 | C07 | C06 | N05 | 167.0° | 90.0° |
| C12 | C07 | C06 | H062 | 72.1° | 150.0° |
| C12 | C07 | C06 | H061 | 46.1° | 30.0° |
| C12 | C07 | C08 | H081 | 179.8° | 180.0° |
| C07 | C12 | C11 | H111 | 179.9° | 180.0° |
| C07 | C06 | N05 | C04 | 79.1° | 180.0° |
| C07 | C06 | N05 | H062 | 120.9° | 120.0° |
| C07 | C06 | N05 | H061 | 120.9° | 120.0° |
| C06 | C07 | C12 | H121 | 0.4° | 0.0° |
| C07 | C06 | H062 | H061 | 117.4° | 120.0° |
| C06 | C07 | C08 | H081 | 0.3° | 0.0° |
| C07 | C06 | N05 | H051 | 159.8° | 56.1° |
| C03 | C04 | N05 | H041 | 121.2° | 120.0° |
| C03 | C04 | N05 | H042 | 121.2° | 120.0° |
| C03 | C04 | N05 | C06 | 67.7° | 180.0° |
| C04 | C03 | C02 | H032 | 121.6° | 120.0° |
| C04 | C03 | C02 | H031 | 121.6° | 120.0° |
| C04 | C03 | C02 | C01 | 110.7° | 95.1° |
| C04 | C03 | C02 | C13 | 98.9° | 85.0° |
| C04 | C03 | H032 | H031 | 114.7° | 119.9° |
| C03 | C04 | H041 | H042 | 116.2° | 120.0° |
| C03 | C04 | N05 | H051 | 53.4° | 56.0° |
| C04 | N05 | C06 | H051 | 121.1° | 123.9° |
| N05 | C04 | C03 | C02 | 0.4° | 180.0° |
| N05 | C04 | C03 | H032 | 121.2° | 60.0° |
| N05 | C04 | C03 | H031 | 122.1° | 59.9° |
| N05 | C04 | H041 | H042 | 116.3° | 120.0° |
| C04 | N05 | C06 | H062 | 160.0° | 60.0° |
| C04 | N05 | C06 | H061 | 41.7° | 60.0° |
| C06 | N05 | C04 | H041 | 171.1° | 59.9° |
| C06 | N05 | C04 | H042 | 53.5° | 60.0° |
| N05 | C06 | H062 | H061 | 117.3° | 120.0° |
| C03 | C02 | C01 | C13 | 148.0° | 180.0° |
| C03 | C02 | C01 | C16 | 157.0° | 179.5° |
| C03 | C02 | C13 | C14 | 121.0° | 162.9° |
| C03 | C02 | C13 | H131 | 0.4° | 76.9° |
| C03 | C02 | C13 | H132 | 118.4° | 42.7° |
| C03 | C02 | C01 | H011 | 23.1° | 0.4° |
| C02 | C03 | H032 | H031 | 114.8° | 120.1° |
| C02 | C03 | C04 | H041 | 120.8° | 60.0° |
| C02 | C03 | C04 | H042 | 121.6° | 59.9° |
| C02 | C01 | C16 | H011 | 180.0° | 179.9° |
| C02 | C01 | C16 | C15 | 33.0° | 17.2° |
| C01 | C02 | C13 | C14 | 30.9° | 17.1° |
| C01 | C02 | C13 | H131 | 151.5° | 103.1° |
| C01 | C02 | C13 | H132 | 89.7° | 137.3° |
| C02 | C01 | C16 | H161 | 87.7° | 103.0° |
| C02 | C01 | C16 | H162 | 153.8° | 137.3° |
| C01 | C02 | C03 | H032 | 10.9° | 145.0° |
| C01 | C02 | C03 | H031 | 127.7° | 25.0° |
| C16 | C01 | C02 | C13 | 9.0° | 0.5° |
| C01 | C16 | C15 | H161 | 120.8° | 120.2° |
| C01 | C16 | C15 | H162 | 120.8° | 120.0° |
| C01 | C16 | C15 | C14 | 13.7° | 49.5° |
| C01 | C16 | H161 | H162 | 117.7° | 119.6° |
| C01 | C16 | C15 | H151 | 134.0° | 169.2° |
| C01 | C16 | C15 | H152 | 106.5° | 70.3° |
| C02 | C13 | C14 | H131 | 120.7° | 120.2° |
| C02 | C13 | C14 | H132 | 120.6° | 120.1° |
| C02 | C13 | C14 | C15 | 43.2° | 49.4° |
| C02 | C13 | H131 | H132 | 118.1° | 119.6° |
| C13 | C02 | C01 | H011 | 171.1° | 179.6° |
| C13 | C02 | C03 | H032 | 139.4° | 35.0° |
| C13 | C02 | C03 | H031 | 22.7° | 155.0° |
| C02 | C13 | C14 | H141 | 77.5° | 169.2° |
| C02 | C13 | C14 | H142 | 163.9° | 70.4° |
| C16 | C15 | C14 | C13 | 19.8° | 67.4° |
| C16 | C15 | C14 | H151 | 120.2° | 119.7° |
| C16 | C15 | C14 | H152 | 120.2° | 119.7° |
| C15 | C16 | H161 | H162 | 117.6° | 119.7° |
| C15 | C16 | C01 | H011 | 147.0° | 162.9° |
| C16 | C15 | C14 | H141 | 100.9° | 172.8° |
| C16 | C15 | C14 | H142 | 140.5° | 52.3° |
| C16 | C15 | H151 | H152 | 119.4° | 120.5° |
| C13 | C14 | C15 | H141 | 120.7° | 119.8° |
| C13 | C14 | C15 | H142 | 120.7° | 119.7° |
| C14 | C13 | H131 | H132 | 118.0° | 119.7° |
| C13 | C14 | H141 | H142 | 117.8° | 120.4° |
| C13 | C14 | C15 | H151 | 100.4° | 172.9° |
| C13 | C14 | C15 | H152 | 140.0° | 52.3° |
| C15 | C14 | C13 | H131 | 163.8° | 70.8° |
| C15 | C14 | C13 | H132 | 77.5° | 169.5° |
| C14 | C15 | C16 | H161 | 107.0° | 70.8° |
| C14 | C15 | C16 | H162 | 134.5° | 169.5° |
| C15 | C14 | H141 | H142 | 117.8° | 120.6° |
| C14 | C15 | H151 | H152 | 119.4° | 120.5° |
| H101 | C10 | C09 | H091 | 0.0° | 0.3° |
| H101 | C10 | C11 | H111 | 0.0° | 0.2° |
| H121 | C12 | C11 | H111 | 0.1° | 0.1° |
| H131 | C13 | C14 | H141 | 43.1° | 48.9° |
| H131 | C13 | C14 | H142 | 75.5° | 169.3° |
| H132 | C13 | C14 | H141 | 161.8° | 70.7° |
| H132 | C13 | C14 | H142 | 43.2° | 49.7° |
| H161 | C16 | C01 | H011 | 92.3° | 76.9° |
| H161 | C16 | C15 | H151 | 13.2° | 48.9° |
| H161 | C16 | C15 | H152 | 132.8° | 169.5° |
| H162 | C16 | C01 | H011 | 26.2° | 42.8° |
| H162 | C16 | C15 | H151 | 105.3° | 70.8° |
| H162 | C16 | C15 | H152 | 14.3° | 49.7° |
| H032 | C03 | C04 | H041 | 117.6° | 180.0° |
| H032 | C03 | C04 | H042 | 0.0° | 60.1° |
| H031 | C03 | C04 | H041 | 0.9° | 60.1° |
| H031 | C03 | C04 | H042 | 116.7° | 180.0° |
| H041 | C04 | N05 | H051 | 67.9° | 176.1° |
| H042 | C04 | N05 | H051 | 174.5° | 64.0° |
| H062 | C06 | N05 | H051 | 38.9° | 64.0° |
| H061 | C06 | N05 | H051 | 79.3° | 176.1° |
| H081 | C08 | C09 | H091 | 0.1° | 0.0° |
| H141 | C14 | C15 | H151 | 138.9° | 53.1° |
| H141 | C14 | C15 | H152 | 19.3° | 67.5° |
| H142 | C14 | C15 | H151 | 20.3° | 67.4° |
| H142 | C14 | C15 | H152 | 99.3° | 172.0° |
