QNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.52Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.10Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.10Å | 1.12Å | |
| C28 | H282 | sing | 1.10Å | 1.12Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.10Å | 1.11Å | |
| C27 | H272 | sing | 1.10Å | 1.12Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.10Å | 1.12Å | |
| C26 | H262 | sing | 1.10Å | 1.11Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.10Å | 1.12Å | |
| C25 | H252 | sing | 1.10Å | 1.12Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.10Å | 1.12Å | |
| C24 | H242 | sing | 1.10Å | 1.11Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.10Å | 1.12Å | |
| C23 | H232 | sing | 1.10Å | 1.11Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.10Å | 1.11Å | |
| C22 | H222 | sing | 1.10Å | 1.12Å | |
| C21 | C2 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.10Å | 1.12Å | |
| C2 | C3 | sing | 1.54Å | 1.40Å | Aromatic |
| C2 | N1 | doub | 1.46Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.51Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | O41 | sing | 1.38Å | 1.26Å | |
| C4 | C5 | sing | 1.35Å | 1.49Å | Aromatic |
| O41 | H41 | sing | 0.96Å | 0.95Å | |
| C5 | C51 | doub | 1.47Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.48Å | Aromatic |
| C51 | C52 | sing | 1.34Å | 1.39Å | Aromatic |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C52 | C62 | doub | 1.44Å | 1.39Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C62 | C61 | sing | 1.34Å | 1.39Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C61 | C6 | doub | 1.47Å | 1.39Å | Aromatic |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | N1 | sing | 1.39Å | 1.33Å | Aromatic |
| N1 | OH | sing | 1.39Å | 1.25Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | H291 | 111.3° | 110.3° |
| C28 | C29 | H292 | 112.0° | 111.0° |
| C28 | C29 | H293 | 111.3° | 111.0° |
| C29 | C28 | C27 | 112.0° | 111.5° |
| C29 | C28 | H281 | 111.3° | 109.1° |
| C29 | C28 | H282 | 111.3° | 109.1° |
| H291 | C29 | H292 | 111.3° | 108.1° |
| H291 | C29 | H293 | 99.1° | 108.1° |
| H292 | C29 | H293 | 111.3° | 108.4° |
| C27 | C28 | H281 | 111.3° | 109.9° |
| C27 | C28 | H282 | 111.3° | 109.9° |
| C28 | C27 | C26 | 112.3° | 111.3° |
| C28 | C27 | H271 | 111.2° | 109.5° |
| C28 | C27 | H272 | 111.2° | 109.6° |
| H281 | C28 | H282 | 99.1° | 107.2° |
| C26 | C27 | H271 | 111.2° | 109.6° |
| C26 | C27 | H272 | 111.2° | 109.6° |
| C27 | C26 | C25 | 111.3° | 111.2° |
| C27 | C26 | H261 | 111.5° | 109.1° |
| C27 | C26 | H262 | 111.5° | 109.5° |
| H271 | C27 | H272 | 99.2° | 107.1° |
| C25 | C26 | H261 | 111.5° | 110.1° |
| C25 | C26 | H262 | 111.5° | 109.6° |
| C26 | C25 | C24 | 111.4° | 113.4° |
| C26 | C25 | H251 | 111.5° | 109.1° |
| C26 | C25 | H252 | 111.5° | 109.8° |
| H261 | C26 | H262 | 98.9° | 107.3° |
| C24 | C25 | H251 | 111.5° | 108.1° |
| C24 | C25 | H252 | 111.5° | 109.6° |
| C25 | C24 | C23 | 110.1° | 113.3° |
| C25 | C24 | H241 | 111.9° | 109.0° |
| C25 | C24 | H242 | 112.0° | 108.1° |
| H251 | C25 | H252 | 98.9° | 106.7° |
| C23 | C24 | H241 | 112.0° | 110.2° |
| C23 | C24 | H242 | 112.0° | 109.1° |
| C24 | C23 | C22 | 114.1° | 113.3° |
| C24 | C23 | H231 | 110.5° | 110.2° |
| C24 | C23 | H232 | 110.5° | 109.1° |
| H241 | C24 | H242 | 98.4° | 106.9° |
| C22 | C23 | H231 | 110.5° | 109.1° |
| C22 | C23 | H232 | 110.6° | 108.1° |
| C23 | C22 | C21 | 109.3° | 113.4° |
| C23 | C22 | H221 | 112.3° | 108.2° |
| C23 | C22 | H222 | 112.3° | 109.6° |
| H231 | C23 | H232 | 99.7° | 106.9° |
| C21 | C22 | H221 | 112.3° | 109.1° |
| C21 | C22 | H222 | 112.3° | 109.7° |
| C22 | C21 | C2 | 114.2° | 111.4° |
| C22 | C21 | H211 | 110.5° | 110.4° |
| C22 | C21 | H212 | 110.5° | 109.9° |
| H221 | C22 | H222 | 98.1° | 106.7° |
| C2 | C21 | H211 | 110.5° | 108.6° |
| C2 | C21 | H212 | 110.5° | 109.1° |
| C21 | C2 | C3 | 120.0° | 111.3° |
| C21 | C2 | N1 | 118.1° | 109.6° |
| H211 | C21 | H212 | 99.8° | 107.4° |
| C3 | C2 | N1 | 121.8° | 109.1° |
| C2 | C3 | C4 | 121.3° | 113.4° |
| C2 | C3 | H3 | 108.0° | 109.1° |
| C2 | N1 | C6 | 122.3° | 122.8° |
| C2 | N1 | OH | 120.1° | 114.0° |
| C4 | C3 | H3 | 108.0° | 107.3° |
| C3 | C4 | O41 | 120.5° | 115.2° |
| C3 | C4 | C5 | 116.9° | 123.4° |
| O41 | C4 | C5 | 122.6° | 121.4° |
| C4 | O41 | H41 | 120.5° | 109.6° |
| C4 | C5 | C51 | 123.9° | 122.1° |
| C4 | C5 | C6 | 117.8° | 118.4° |
| C51 | C5 | C6 | 118.3° | 119.5° |
| C5 | C51 | C52 | 120.6° | 120.8° |
| C5 | C51 | H51 | 119.5° | 119.6° |
| C5 | C6 | C61 | 119.9° | 118.5° |
| C5 | C6 | N1 | 119.9° | 122.1° |
| C52 | C51 | H51 | 119.9° | 119.5° |
| C51 | C52 | C62 | 120.6° | 120.0° |
| C51 | C52 | H52 | 119.7° | 121.4° |
| C62 | C52 | H52 | 119.7° | 118.6° |
| C52 | C62 | C61 | 121.6° | 120.0° |
| C52 | C62 | H62 | 119.1° | 118.6° |
| C61 | C62 | H62 | 119.3° | 121.4° |
| C62 | C61 | C6 | 119.0° | 121.2° |
| C62 | C61 | H61 | 120.5° | 119.5° |
| C6 | C61 | H61 | 120.5° | 119.4° |
| C61 | C6 | N1 | 120.2° | 119.4° |
| C6 | N1 | OH | 117.6° | 122.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | H291 | H292 | 125.7° | 121.4° |
| C28 | C29 | H291 | H293 | 117.1° | 121.5° |
| C28 | C29 | H292 | H293 | 125.3° | 122.1° |
| C29 | C28 | C27 | H281 | 125.3° | 121.1° |
| C29 | C28 | C27 | H282 | 125.3° | 121.2° |
| C29 | C28 | H281 | H282 | 117.2° | 118.1° |
| C29 | C28 | C27 | C26 | 158.8° | 178.6° |
| C29 | C28 | C27 | H271 | 33.5° | 60.0° |
| C29 | C28 | C27 | H272 | 76.0° | 57.2° |
| H291 | C29 | H292 | H293 | 109.5° | 116.9° |
| H291 | C29 | C28 | C27 | 54.7° | 180.0° |
| H291 | C29 | C28 | H281 | 70.5° | 58.5° |
| H291 | C29 | C28 | H282 | 180.0° | 58.4° |
| H292 | C29 | C28 | C27 | 180.0° | 60.3° |
| H292 | C29 | C28 | H281 | 54.8° | 61.2° |
| H292 | C29 | C28 | H282 | 54.7° | 178.1° |
| H293 | C29 | C28 | C27 | 54.7° | 60.2° |
| H293 | C29 | C28 | H281 | 180.0° | 178.2° |
| H293 | C29 | C28 | H282 | 70.6° | 61.4° |
| C27 | C28 | H281 | H282 | 117.2° | 119.4° |
| C28 | C27 | C26 | H271 | 125.3° | 121.3° |
| C28 | C27 | C26 | H272 | 125.3° | 121.4° |
| C28 | C27 | H271 | H272 | 117.1° | 118.7° |
| C28 | C27 | C26 | C25 | 113.0° | 178.4° |
| C28 | C27 | C26 | H261 | 121.7° | 60.0° |
| C28 | C27 | C26 | H262 | 12.3° | 57.1° |
| H281 | C28 | C27 | C26 | 76.0° | 57.5° |
| H281 | C28 | C27 | H271 | 158.8° | 178.9° |
| H281 | C28 | C27 | H272 | 49.3° | 63.9° |
| H282 | C28 | C27 | C26 | 33.5° | 60.2° |
| H282 | C28 | C27 | H271 | 91.8° | 61.2° |
| H282 | C28 | C27 | H272 | 158.7° | 178.4° |
| C26 | C27 | H271 | H272 | 117.0° | 118.9° |
| C27 | C26 | C25 | H261 | 125.2° | 121.0° |
| C27 | C26 | C25 | H262 | 125.3° | 121.2° |
| C27 | C26 | H261 | H262 | 117.4° | 118.6° |
| C27 | C26 | C25 | C24 | 150.0° | 179.5° |
| C27 | C26 | C25 | H251 | 24.7° | 60.0° |
| C27 | C26 | C25 | H252 | 84.8° | 56.6° |
| H271 | C27 | C26 | C25 | 12.3° | 57.1° |
| H271 | C27 | C26 | H261 | 113.0° | 178.7° |
| H271 | C27 | C26 | H262 | 137.5° | 64.2° |
| H272 | C27 | C26 | C25 | 121.7° | 60.2° |
| H272 | C27 | C26 | H261 | 3.5° | 61.4° |
| H272 | C27 | C26 | H262 | 113.0° | 178.5° |
| C25 | C26 | H261 | H262 | 117.4° | 119.2° |
| C26 | C25 | C24 | H251 | 125.3° | 121.1° |
| C26 | C25 | C24 | H252 | 125.2° | 123.0° |
| C26 | C25 | H251 | H252 | 117.4° | 118.5° |
| C26 | C25 | C24 | C23 | 102.9° | 178.9° |
| C26 | C25 | C24 | H241 | 22.4° | 55.8° |
| C26 | C25 | C24 | H242 | 131.8° | 60.0° |
| H261 | C26 | C25 | C24 | 84.8° | 58.5° |
| H261 | C26 | C25 | H251 | 149.9° | 179.0° |
| H261 | C26 | C25 | H252 | 40.4° | 64.4° |
| H262 | C26 | C25 | C24 | 24.7° | 59.3° |
| H262 | C26 | C25 | H251 | 100.6° | 61.2° |
| H262 | C26 | C25 | H252 | 149.9° | 177.8° |
| C24 | C25 | H251 | H252 | 117.4° | 117.8° |
| C25 | C24 | C23 | H241 | 125.3° | 122.5° |
| C25 | C24 | C23 | H242 | 125.3° | 120.5° |
| C25 | C24 | H241 | H242 | 117.8° | 116.6° |
| C25 | C24 | C23 | C22 | 179.9° | 177.5° |
| C25 | C24 | C23 | H231 | 54.6° | 60.0° |
| C25 | C24 | C23 | H232 | 54.8° | 57.0° |
| H251 | C25 | C24 | C23 | 131.8° | 60.0° |
| H251 | C25 | C24 | H241 | 102.9° | 176.9° |
| H251 | C25 | C24 | H242 | 6.5° | 61.0° |
| H252 | C25 | C24 | C23 | 22.3° | 56.0° |
| H252 | C25 | C24 | H241 | 147.6° | 67.2° |
| H252 | C25 | C24 | H242 | 103.0° | 177.0° |
| C23 | C24 | H241 | H242 | 117.9° | 118.5° |
| C24 | C23 | C22 | H231 | 125.3° | 123.1° |
| C24 | C23 | C22 | H232 | 125.3° | 121.0° |
| C24 | C23 | H231 | H232 | 116.3° | 118.5° |
| C24 | C23 | C22 | C21 | 141.2° | 176.9° |
| C24 | C23 | C22 | H221 | 93.6° | 55.8° |
| C24 | C23 | C22 | H222 | 15.9° | 60.1° |
| H241 | C24 | C23 | C22 | 54.9° | 60.0° |
| H241 | C24 | C23 | H231 | 179.9° | 62.4° |
| H241 | C24 | C23 | H232 | 70.4° | 179.5° |
| H242 | C24 | C23 | C22 | 54.6° | 57.0° |
| H242 | C24 | C23 | H231 | 70.7° | 179.5° |
| H242 | C24 | C23 | H232 | 179.9° | 63.4° |
| C22 | C23 | H231 | H232 | 116.4° | 116.7° |
| C23 | C22 | C21 | H221 | 125.3° | 120.6° |
| C23 | C22 | C21 | H222 | 125.3° | 122.9° |
| C23 | C22 | H221 | H222 | 118.2° | 117.9° |
| C23 | C22 | C21 | C2 | 114.5° | 179.4° |
| C23 | C22 | C21 | H211 | 120.3° | 58.7° |
| C23 | C22 | C21 | H212 | 10.8° | 59.5° |
| H231 | C23 | C22 | C21 | 15.9° | 60.0° |
| H231 | C23 | C22 | H221 | 141.1° | 178.9° |
| H231 | C23 | C22 | H222 | 109.4° | 63.0° |
| H232 | C23 | C22 | C21 | 93.5° | 55.9° |
| H232 | C23 | C22 | H221 | 31.7° | 65.2° |
| H232 | C23 | C22 | H222 | 141.2° | 178.8° |
| C21 | C22 | H221 | H222 | 118.2° | 118.4° |
| C22 | C21 | C2 | H211 | 125.2° | 121.8° |
| C22 | C21 | C2 | H212 | 125.3° | 121.5° |
| C22 | C21 | H211 | H212 | 116.3° | 119.7° |
| C22 | C21 | C2 | C3 | 49.3° | 178.2° |
| C22 | C21 | C2 | N1 | 133.3° | 61.0° |
| H221 | C22 | C21 | C2 | 10.8° | 60.0° |
| H221 | C22 | C21 | H211 | 114.5° | 179.3° |
| H221 | C22 | C21 | H212 | 136.0° | 61.0° |
| H222 | C22 | C21 | C2 | 120.2° | 56.5° |
| H222 | C22 | C21 | H211 | 5.0° | 64.2° |
| H222 | C22 | C21 | H212 | 114.5° | 177.6° |
| C2 | C21 | H211 | H212 | 116.3° | 117.9° |
| C21 | C2 | C3 | N1 | 177.3° | 121.1° |
| C21 | C2 | C3 | C4 | 178.1° | 85.5° |
| C21 | C2 | C3 | H3 | 56.6° | 154.9° |
| C21 | C2 | N1 | C6 | 178.9° | 88.2° |
| C21 | C2 | N1 | OH | 2.6° | 80.9° |
| H211 | C21 | C2 | C3 | 76.0° | 60.0° |
| H211 | C21 | C2 | N1 | 101.4° | 60.8° |
| H212 | C21 | C2 | C3 | 174.5° | 56.8° |
| H212 | C21 | C2 | N1 | 8.1° | 177.6° |
| C2 | C3 | C4 | H3 | 125.2° | 120.6° |
| C2 | C3 | C4 | O41 | 179.9° | 159.4° |
| C2 | C3 | C4 | C5 | 0.2° | 22.8° |
| C3 | C2 | N1 | C6 | 1.5° | 34.0° |
| C3 | C2 | N1 | OH | 179.9° | 156.9° |
| N1 | C2 | C3 | C4 | 0.8° | 35.6° |
| N1 | C2 | C3 | H3 | 126.1° | 83.9° |
| C2 | N1 | C6 | C5 | 1.1° | 14.5° |
| C2 | N1 | C6 | C61 | 180.0° | 164.7° |
| C2 | N1 | C6 | OH | 178.6° | 168.2° |
| C3 | C4 | O41 | C5 | 179.9° | 177.9° |
| C3 | C4 | O41 | H41 | 180.0° | 50.6° |
| C3 | C4 | C5 | C51 | 178.6° | 177.2° |
| C3 | C4 | C5 | C6 | 0.6° | 1.6° |
| H3 | C3 | C4 | O41 | 54.9° | 80.0° |
| H3 | C3 | C4 | C5 | 125.0° | 97.8° |
| O41 | C4 | C5 | C51 | 1.5° | 0.5° |
| O41 | C4 | C5 | C6 | 179.5° | 179.3° |
| C5 | C4 | O41 | H41 | 0.1° | 127.3° |
| C4 | C5 | C51 | C6 | 178.0° | 178.7° |
| C4 | C5 | C51 | C52 | 179.2° | 177.6° |
| C4 | C5 | C51 | H51 | 0.8° | 2.3° |
| C4 | C5 | C6 | C61 | 178.9° | 176.8° |
| C4 | C5 | C6 | N1 | 0.1° | 4.0° |
| C5 | C51 | C52 | H51 | 180.0° | 179.9° |
| C5 | C51 | C52 | C62 | 3.9° | 0.2° |
| C5 | C51 | C52 | H52 | 176.1° | 179.8° |
| C51 | C5 | C6 | C61 | 0.8° | 2.0° |
| C51 | C5 | C6 | N1 | 178.1° | 177.3° |
| C6 | C5 | C51 | C52 | 2.8° | 1.2° |
| C6 | C5 | C51 | H51 | 177.2° | 179.0° |
| C5 | C6 | C61 | C62 | 0.1° | 1.5° |
| C5 | C6 | C61 | N1 | 178.8° | 179.2° |
| C5 | C6 | C61 | H61 | 179.9° | 178.9° |
| C5 | C6 | N1 | OH | 179.7° | 177.2° |
| C51 | C52 | C62 | H52 | 180.0° | 179.7° |
| C51 | C52 | C62 | C61 | 3.0° | 0.6° |
| C51 | C52 | C62 | H62 | 177.0° | 179.4° |
| H51 | C51 | C52 | C62 | 176.1° | 179.7° |
| H51 | C51 | C52 | H52 | 3.9° | 0.0° |
| C52 | C62 | C61 | H62 | 180.0° | 180.0° |
| C52 | C62 | C61 | C6 | 1.0° | 0.2° |
| C52 | C62 | C61 | H61 | 179.0° | 179.8° |
| H52 | C52 | C62 | C61 | 177.0° | 179.7° |
| H52 | C52 | C62 | H62 | 3.0° | 0.3° |
| C62 | C61 | C6 | H61 | 180.0° | 179.6° |
| C62 | C61 | C6 | N1 | 178.9° | 177.7° |
| H62 | C62 | C61 | C6 | 179.0° | 179.8° |
| H62 | C62 | C61 | H61 | 1.0° | 0.2° |
| C61 | C6 | N1 | OH | 1.5° | 3.6° |
| H61 | C61 | C6 | N1 | 1.1° | 1.9° |
