K7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C10 | sing | 1.35Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.47Å | 1.46Å | |
| O11 | C10 | doub | 1.22Å | 1.19Å | |
| C10 | C04 | sing | 1.47Å | 1.55Å | |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.43Å | 1.44Å | Aromatic |
| N19 | C18 | sing | 1.38Å | 1.25Å | |
| C16 | C03 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.34Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.53Å | |
| C18 | N20 | doub | 1.30Å | 1.46Å | |
| C17 | S01 | sing | 1.75Å | 1.72Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | S01 | sing | 1.76Å | 1.74Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.40Å | |
| O08 | C09 | sing | 1.43Å | 1.40Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 1.01Å | 1.00Å | |
| N15 | H152 | sing | 1.01Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N19 | H2 | sing | 0.97Å | 1.00Å | |
| N20 | H202 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C10 | 130.0° | 120.0° |
| N12 | C13 | C14 | 114.2° | 109.5° |
| C13 | N12 | H121 | 115.0° | 120.0° |
| N12 | C13 | H132 | 108.3° | 109.5° |
| N12 | C13 | H131 | 108.3° | 109.4° |
| N12 | C10 | O11 | 114.2° | 120.0° |
| N12 | C10 | C04 | 128.9° | 120.0° |
| C10 | N12 | H121 | 115.0° | 120.0° |
| C13 | C14 | N15 | 110.8° | 109.4° |
| C14 | C13 | H132 | 108.3° | 109.5° |
| C14 | C13 | H131 | 108.3° | 109.5° |
| C13 | C14 | H141 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| N15 | C14 | H141 | 109.1° | 109.5° |
| N15 | C14 | H142 | 109.1° | 109.5° |
| C14 | N15 | H151 | 109.5° | 111.0° |
| C14 | N15 | H152 | 109.5° | 110.9° |
| O11 | C10 | C04 | 116.9° | 120.0° |
| C10 | C04 | C05 | 119.5° | 119.9° |
| C10 | C04 | C03 | 122.5° | 119.9° |
| C05 | C04 | C03 | 118.1° | 120.1° |
| C04 | C05 | C06 | 121.7° | 120.4° |
| C04 | C05 | H051 | 119.2° | 119.8° |
| C04 | C03 | C16 | 128.8° | 128.7° |
| C04 | C03 | C02 | 119.3° | 118.5° |
| N19 | C18 | C17 | 121.9° | 120.0° |
| N19 | C18 | N20 | 119.0° | 120.0° |
| C18 | N19 | H191 | 120.0° | 120.0° |
| C18 | N19 | H2 | 120.0° | 120.0° |
| C03 | C16 | C17 | 116.4° | 115.6° |
| C16 | C03 | C02 | 111.9° | 112.7° |
| C03 | C16 | H161 | 121.8° | 122.2° |
| C16 | C17 | C18 | 130.6° | 124.7° |
| C16 | C17 | S01 | 106.8° | 110.6° |
| C17 | C16 | H161 | 121.8° | 122.2° |
| C05 | C06 | C07 | 120.1° | 120.3° |
| C06 | C05 | H051 | 119.1° | 119.8° |
| C05 | C06 | H061 | 119.9° | 119.8° |
| C03 | C02 | C07 | 120.9° | 120.0° |
| C03 | C02 | S01 | 109.3° | 109.5° |
| C17 | C18 | N20 | 119.1° | 120.0° |
| C18 | C17 | S01 | 122.7° | 124.7° |
| C18 | N20 | H202 | 112.0° | 120.1° |
| C17 | S01 | C02 | 95.6° | 91.6° |
| C06 | C07 | C02 | 119.9° | 120.6° |
| C06 | C07 | O08 | 119.9° | 119.7° |
| C07 | C06 | H061 | 120.0° | 119.9° |
| C07 | C02 | S01 | 129.8° | 130.5° |
| C02 | C07 | O08 | 120.2° | 119.7° |
| C07 | O08 | C09 | 114.7° | 117.0° |
| O08 | C09 | H091 | 109.5° | 109.5° |
| O08 | C09 | H093 | 109.5° | 109.4° |
| O08 | C09 | H092 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H093 | C09 | H092 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H151 | N15 | H152 | 109.5° | 111.0° |
| H191 | N19 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C10 | H121 | 180.0° | 179.9° |
| N12 | C13 | C14 | H132 | 120.7° | 120.1° |
| N12 | C13 | C14 | H131 | 120.7° | 119.9° |
| N12 | C13 | C14 | N15 | 135.9° | 180.0° |
| C13 | N12 | C10 | O11 | 178.5° | 0.3° |
| C13 | N12 | C10 | C04 | 1.0° | 180.0° |
| N12 | C13 | H132 | H131 | 117.9° | 119.9° |
| N12 | C13 | C14 | H141 | 15.7° | 59.9° |
| N12 | C13 | C14 | H142 | 103.9° | 60.1° |
| C10 | N12 | C13 | C14 | 105.4° | 180.0° |
| N12 | C10 | O11 | C04 | 179.6° | 179.7° |
| N12 | C10 | C04 | C05 | 5.6° | 0.0° |
| N12 | C10 | C04 | C03 | 175.0° | 180.0° |
| C10 | N12 | C13 | H132 | 133.9° | 59.9° |
| C10 | N12 | C13 | H131 | 15.3° | 60.0° |
| C13 | C14 | N15 | H141 | 120.2° | 120.0° |
| C13 | C14 | N15 | H142 | 120.2° | 120.0° |
| C14 | C13 | N12 | H121 | 74.6° | 0.1° |
| C14 | C13 | H132 | H131 | 117.8° | 120.0° |
| C13 | C14 | H141 | H142 | 119.4° | 120.0° |
| C13 | C14 | N15 | H151 | 180.0° | 56.1° |
| C13 | C14 | N15 | H152 | 60.0° | 180.0° |
| N15 | C14 | C13 | H132 | 103.4° | 60.0° |
| N15 | C14 | C13 | H131 | 15.2° | 60.0° |
| N15 | C14 | H141 | H142 | 119.4° | 120.0° |
| C14 | N15 | H151 | H152 | 120.0° | 123.9° |
| O11 | C10 | C04 | C05 | 173.9° | 179.7° |
| O11 | C10 | C04 | C03 | 5.5° | 0.3° |
| O11 | C10 | N12 | H121 | 1.5° | 179.8° |
| C10 | C04 | C05 | C03 | 179.4° | 180.0° |
| C10 | C04 | C03 | C16 | 0.6° | 0.0° |
| C10 | C04 | C05 | C06 | 179.4° | 180.0° |
| C10 | C04 | C03 | C02 | 179.4° | 180.0° |
| C04 | C10 | N12 | H121 | 178.9° | 0.1° |
| C10 | C04 | C05 | H051 | 0.6° | 0.0° |
| C05 | C04 | C03 | C16 | 180.0° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H061 | 179.9° | 179.9° |
| C04 | C03 | C16 | C02 | 180.0° | 179.9° |
| C04 | C03 | C16 | C17 | 179.7° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | C07 | 0.0° | 0.0° |
| C04 | C03 | C02 | S01 | 179.9° | 180.0° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C04 | C03 | C16 | H161 | 0.3° | 0.0° |
| N19 | C18 | C17 | C16 | 17.1° | 179.7° |
| N19 | C18 | C17 | N20 | 179.0° | 180.0° |
| N19 | C18 | C17 | S01 | 164.0° | 0.1° |
| C18 | N19 | H191 | H2 | 180.0° | 180.0° |
| N19 | C18 | N20 | H202 | 179.0° | 180.0° |
| C03 | C16 | C17 | H161 | 180.0° | 180.0° |
| C03 | C16 | C17 | C18 | 179.4° | 179.7° |
| C03 | C16 | C17 | S01 | 0.3° | 0.0° |
| C16 | C03 | C02 | C07 | 180.0° | 180.0° |
| C16 | C03 | C02 | S01 | 0.1° | 0.0° |
| C17 | C16 | C03 | C02 | 0.3° | 0.1° |
| C16 | C17 | C18 | S01 | 178.9° | 179.7° |
| C16 | C17 | C18 | N20 | 161.9° | 0.3° |
| C16 | C17 | S01 | C02 | 0.2° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C02 | 0.1° | 0.1° |
| C05 | C06 | C07 | O08 | 179.9° | 180.0° |
| C03 | C02 | S01 | C17 | 0.1° | 0.0° |
| C03 | C02 | C07 | C06 | 0.1° | 0.0° |
| C03 | C02 | C07 | S01 | 179.9° | 180.0° |
| C03 | C02 | C07 | O08 | 179.9° | 180.0° |
| C02 | C03 | C16 | H161 | 179.7° | 180.0° |
| C18 | C17 | S01 | C02 | 179.4° | 179.7° |
| C18 | C17 | C16 | H161 | 0.6° | 0.3° |
| C17 | C18 | N19 | H191 | 179.0° | 0.1° |
| C17 | C18 | N19 | H2 | 1.0° | 180.0° |
| C17 | C18 | N20 | H202 | 0.0° | 0.0° |
| N20 | C18 | C17 | S01 | 17.0° | 180.0° |
| N20 | C18 | N19 | H191 | 0.0° | 180.0° |
| N20 | C18 | N19 | H2 | 180.0° | 0.0° |
| C17 | S01 | C02 | C07 | 179.9° | 180.0° |
| S01 | C17 | C16 | H161 | 179.7° | 180.0° |
| C06 | C07 | C02 | O08 | 179.8° | 180.0° |
| C06 | C07 | C02 | S01 | 179.9° | 180.0° |
| C06 | C07 | O08 | C09 | 46.7° | 0.1° |
| C07 | C06 | C05 | H051 | 180.0° | 180.0° |
| C02 | C07 | O08 | C09 | 133.4° | 180.0° |
| C02 | C07 | C06 | H061 | 179.9° | 179.9° |
| S01 | C02 | C07 | O08 | 0.0° | 0.0° |
| O08 | C07 | C06 | H061 | 0.1° | 0.0° |
| C07 | O08 | C09 | H091 | 180.0° | 180.0° |
| C07 | O08 | C09 | H093 | 60.0° | 60.0° |
| C07 | O08 | C09 | H092 | 60.0° | 59.9° |
| O08 | C09 | H091 | H093 | 120.0° | 120.0° |
| O08 | C09 | H091 | H092 | 120.0° | 120.1° |
| O08 | C09 | H093 | H092 | 120.0° | 120.0° |
| H121 | N12 | C13 | H132 | 46.1° | 120.0° |
| H121 | N12 | C13 | H131 | 164.7° | 120.1° |
| H132 | C13 | C14 | H141 | 136.4° | 180.0° |
| H132 | C13 | C14 | H142 | 16.8° | 60.0° |
| H131 | C13 | C14 | H141 | 105.0° | 60.0° |
| H131 | C13 | C14 | H142 | 135.4° | 180.0° |
| H051 | C05 | C06 | H061 | 0.1° | 0.0° |
| H091 | C09 | H093 | H092 | 120.0° | 120.0° |
| H141 | C14 | N15 | H151 | 59.8° | 63.9° |
| H141 | C14 | N15 | H152 | 179.8° | 60.0° |
| H142 | C14 | N15 | H151 | 59.8° | 176.1° |
| H142 | C14 | N15 | H152 | 60.2° | 60.0° |
