Q9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C02 | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | N02 | sing | 1.35Å | 1.34Å | |
| C | C08 | sing | 1.51Å | 1.45Å | |
| C01 | N01 | sing | 1.47Å | 1.48Å | |
| N01 | C03 | sing | 1.47Å | 1.48Å | |
| N01 | HN01 | sing | 1.01Å | 1.00Å | |
| C04 | N02 | sing | 1.46Å | 1.40Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C01 | C05 | sing | 1.53Å | 1.54Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C02 | C05 | sing | 1.53Å | 1.54Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C06 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C04 | C07 | sing | 1.53Å | 1.53Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C08 | H08B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N | HN | 109.5° | 111.0° |
| C02 | N | HNA | 109.4° | 111.1° |
| N | C02 | C05 | 110.8° | 109.4° |
| N | C02 | H02 | 109.1° | 109.4° |
| N | C02 | H02A | 109.0° | 109.5° |
| HN | N | HNA | 109.4° | 111.0° |
| O | C | N02 | 116.1° | 120.0° |
| O | C | C08 | 116.4° | 120.0° |
| N02 | C | C08 | 127.5° | 120.0° |
| C | N02 | C04 | 129.6° | 120.0° |
| C | N02 | HN02 | 115.2° | 120.0° |
| C | C08 | H08 | 109.5° | 109.4° |
| C | C08 | H08A | 109.5° | 109.4° |
| C | C08 | H08B | 109.5° | 109.5° |
| C01 | N01 | C03 | 114.0° | 111.0° |
| C01 | N01 | HN01 | 108.0° | 111.0° |
| N01 | C01 | C05 | 110.3° | 109.5° |
| N01 | C01 | H01 | 109.2° | 109.5° |
| N01 | C01 | H01A | 109.2° | 109.5° |
| C03 | N01 | HN01 | 108.0° | 111.0° |
| N01 | C03 | C06 | 109.9° | 109.4° |
| N01 | C03 | H03 | 109.3° | 109.5° |
| N01 | C03 | H03A | 109.3° | 109.4° |
| C04 | N02 | HN02 | 115.2° | 120.0° |
| N02 | C04 | C07 | 113.1° | 109.5° |
| N02 | C04 | H04 | 108.3° | 109.4° |
| N02 | C04 | H04A | 108.3° | 109.5° |
| C05 | C01 | H01 | 109.2° | 109.5° |
| C05 | C01 | H01A | 109.2° | 109.4° |
| C01 | C05 | C02 | 111.7° | 109.5° |
| C01 | C05 | H05 | 108.7° | 109.5° |
| C01 | C05 | H05A | 108.7° | 109.4° |
| H01 | C01 | H01A | 109.7° | 109.5° |
| C05 | C02 | H02 | 109.0° | 109.5° |
| C05 | C02 | H02A | 109.0° | 109.5° |
| C02 | C05 | H05 | 108.7° | 109.5° |
| C02 | C05 | H05A | 108.7° | 109.5° |
| H02 | C02 | H02A | 109.9° | 109.5° |
| C06 | C03 | H03 | 109.3° | 109.5° |
| C06 | C03 | H03A | 109.3° | 109.5° |
| C03 | C06 | C07 | 114.0° | 109.5° |
| C03 | C06 | H06 | 108.0° | 109.5° |
| C03 | C06 | H06A | 108.0° | 109.5° |
| H03 | C03 | H03A | 109.6° | 109.5° |
| C07 | C04 | H04 | 108.3° | 109.5° |
| C07 | C04 | H04A | 108.3° | 109.5° |
| C04 | C07 | C06 | 109.7° | 109.5° |
| C04 | C07 | H07 | 109.4° | 109.4° |
| C04 | C07 | H07A | 109.4° | 109.4° |
| H04 | C04 | H04A | 110.6° | 109.4° |
| H05 | C05 | H05A | 110.2° | 109.4° |
| C07 | C06 | H06 | 108.0° | 109.4° |
| C07 | C06 | H06A | 108.0° | 109.5° |
| C06 | C07 | H07 | 109.4° | 109.5° |
| C06 | C07 | H07A | 109.4° | 109.5° |
| H06 | C06 | H06A | 110.9° | 109.5° |
| H07 | C07 | H07A | 109.5° | 109.5° |
| H08 | C08 | H08A | 109.5° | 109.5° |
| H08 | C08 | H08B | 109.5° | 109.5° |
| H08A | C08 | H08B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N | HN | HNA | 120.0° | 124.0° |
| N | C02 | C05 | C01 | 106.7° | 180.0° |
| N | C02 | C05 | H02 | 120.0° | 119.9° |
| N | C02 | C05 | H02A | 120.0° | 120.0° |
| N | C02 | H02 | H02A | 119.5° | 120.0° |
| N | C02 | C05 | H05 | 13.3° | 59.9° |
| N | C02 | C05 | H05A | 133.3° | 60.1° |
| HN | N | C02 | C05 | 180.0° | 180.0° |
| HN | N | C02 | H02 | 60.0° | 60.0° |
| HN | N | C02 | H02A | 60.0° | 60.0° |
| HNA | N | C02 | C05 | 60.0° | 56.0° |
| HNA | N | C02 | H02 | 60.0° | 64.0° |
| HNA | N | C02 | H02A | 180.0° | 176.0° |
| O | C | N02 | C08 | 179.9° | 179.9° |
| O | C | N02 | C04 | 0.0° | 0.1° |
| O | C | N02 | HN02 | 179.9° | 180.0° |
| O | C | C08 | H08 | 0.0° | 120.0° |
| O | C | C08 | H08A | 120.0° | 0.1° |
| O | C | C08 | H08B | 120.0° | 120.0° |
| C | N02 | C04 | HN02 | 180.0° | 179.9° |
| C | N02 | C04 | C07 | 175.8° | 180.0° |
| C | N02 | C04 | H04 | 55.8° | 60.0° |
| C | N02 | C04 | H04A | 64.2° | 59.9° |
| N02 | C | C08 | H08 | 179.9° | 60.1° |
| N02 | C | C08 | H08A | 60.1° | 180.0° |
| N02 | C | C08 | H08B | 59.9° | 60.0° |
| C08 | C | N02 | C04 | 179.9° | 180.0° |
| C08 | C | N02 | HN02 | 0.1° | 0.1° |
| C | C08 | H08 | H08A | 120.0° | 119.9° |
| C | C08 | H08 | H08B | 120.0° | 120.0° |
| C | C08 | H08A | H08B | 120.0° | 120.0° |
| C01 | N01 | C03 | HN01 | 120.0° | 124.0° |
| N01 | C01 | C05 | H01 | 120.0° | 120.0° |
| N01 | C01 | C05 | H01A | 120.0° | 120.0° |
| N01 | C01 | H01 | H01A | 119.7° | 120.0° |
| N01 | C01 | C05 | C02 | 177.3° | 180.0° |
| C01 | N01 | C03 | C06 | 84.6° | 180.0° |
| C01 | N01 | C03 | H03 | 35.4° | 60.0° |
| C01 | N01 | C03 | H03A | 155.4° | 60.1° |
| N01 | C01 | C05 | H05 | 57.3° | 60.0° |
| N01 | C01 | C05 | H05A | 62.7° | 60.0° |
| C03 | N01 | C01 | C05 | 86.5° | 180.0° |
| C03 | N01 | C01 | H01 | 33.5° | 60.0° |
| C03 | N01 | C01 | H01A | 153.5° | 60.0° |
| N01 | C03 | C06 | H03 | 120.0° | 120.0° |
| N01 | C03 | C06 | H03A | 120.0° | 119.9° |
| N01 | C03 | H03 | H03A | 119.8° | 120.0° |
| N01 | C03 | C06 | C07 | 140.4° | 180.0° |
| N01 | C03 | C06 | H06 | 20.4° | 60.0° |
| N01 | C03 | C06 | H06A | 99.6° | 60.1° |
| HN01 | N01 | C01 | C05 | 33.5° | 56.0° |
| HN01 | N01 | C01 | H01 | 153.5° | 64.0° |
| HN01 | N01 | C01 | H01A | 86.5° | 176.0° |
| HN01 | N01 | C03 | C06 | 155.4° | 56.0° |
| HN01 | N01 | C03 | H03 | 84.6° | 176.0° |
| HN01 | N01 | C03 | H03A | 35.4° | 63.9° |
| N02 | C04 | C07 | H04 | 120.0° | 120.0° |
| N02 | C04 | C07 | H04A | 120.0° | 120.1° |
| N02 | C04 | H04 | H04A | 118.5° | 120.0° |
| N02 | C04 | C07 | C06 | 165.7° | 180.0° |
| N02 | C04 | C07 | H07 | 45.7° | 60.0° |
| N02 | C04 | C07 | H07A | 74.3° | 59.9° |
| HN02 | N02 | C04 | C07 | 4.2° | 0.0° |
| HN02 | N02 | C04 | H04 | 124.2° | 120.0° |
| HN02 | N02 | C04 | H04A | 115.8° | 120.0° |
| C05 | C01 | H01 | H01A | 119.7° | 119.9° |
| C01 | C05 | C02 | H05 | 120.0° | 120.1° |
| C01 | C05 | C02 | H05A | 120.0° | 119.9° |
| C01 | C05 | C02 | H02 | 13.4° | 60.1° |
| C01 | C05 | C02 | H02A | 133.4° | 60.0° |
| C01 | C05 | H05 | H05A | 119.1° | 119.9° |
| H01 | C01 | C05 | C02 | 62.7° | 60.0° |
| H01 | C01 | C05 | H05 | 177.3° | 180.0° |
| H01 | C01 | C05 | H05A | 57.3° | 60.0° |
| H01A | C01 | C05 | C02 | 57.3° | 60.0° |
| H01A | C01 | C05 | H05 | 62.7° | 60.1° |
| H01A | C01 | C05 | H05A | 177.3° | 180.0° |
| C05 | C02 | H02 | H02A | 119.5° | 120.1° |
| C02 | C05 | H05 | H05A | 119.1° | 120.0° |
| H02 | C02 | C05 | H05 | 133.4° | 60.0° |
| H02 | C02 | C05 | H05A | 106.6° | 180.0° |
| H02A | C02 | C05 | H05 | 106.6° | 180.0° |
| H02A | C02 | C05 | H05A | 13.4° | 60.0° |
| C06 | C03 | H03 | H03A | 119.8° | 120.0° |
| C03 | C06 | C07 | C04 | 153.2° | 180.0° |
| C03 | C06 | C07 | H06 | 120.0° | 120.0° |
| C03 | C06 | C07 | H06A | 120.0° | 120.0° |
| C03 | C06 | H06 | H06A | 118.1° | 120.0° |
| C03 | C06 | C07 | H07 | 86.7° | 60.0° |
| C03 | C06 | C07 | H07A | 33.2° | 60.0° |
| H03 | C03 | C06 | C07 | 99.6° | 60.0° |
| H03 | C03 | C06 | H06 | 140.4° | 180.0° |
| H03 | C03 | C06 | H06A | 20.4° | 60.0° |
| H03A | C03 | C06 | C07 | 20.4° | 60.0° |
| H03A | C03 | C06 | H06 | 99.6° | 59.9° |
| H03A | C03 | C06 | H06A | 140.4° | 180.0° |
| C07 | C04 | H04 | H04A | 118.5° | 119.9° |
| C04 | C07 | C06 | H07 | 120.0° | 120.0° |
| C04 | C07 | C06 | H07A | 120.0° | 120.0° |
| C04 | C07 | C06 | H06 | 86.8° | 60.0° |
| C04 | C07 | C06 | H06A | 33.2° | 60.0° |
| C04 | C07 | H07 | H07A | 119.9° | 119.9° |
| H04 | C04 | C07 | C06 | 74.3° | 60.0° |
| H04 | C04 | C07 | H07 | 165.7° | 179.9° |
| H04 | C04 | C07 | H07A | 45.7° | 60.0° |
| H04A | C04 | C07 | C06 | 45.7° | 59.9° |
| H04A | C04 | C07 | H07 | 74.3° | 60.2° |
| H04A | C04 | C07 | H07A | 165.7° | 179.9° |
| C07 | C06 | H06 | H06A | 118.2° | 120.0° |
| C06 | C07 | H07 | H07A | 119.9° | 120.1° |
| H06 | C06 | C07 | H07 | 33.3° | 60.0° |
| H06 | C06 | C07 | H07A | 153.2° | 180.0° |
| H06A | C06 | C07 | H07 | 153.2° | 180.0° |
| H06A | C06 | C07 | H07A | 86.8° | 60.0° |
| H08 | C08 | H08A | H08B | 120.0° | 120.0° |
