9T8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N01 | sing | 1.47Å | 1.53Å | |
| N01 | C03 | sing | 1.47Å | 1.53Å | |
| N01 | C02 | sing | 1.47Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C06 | sing | 1.35Å | 1.37Å | |
| C06 | O01 | doub | 1.21Å | 1.22Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | N03 | sing | 1.47Å | 1.47Å | |
| C01 | H006 | sing | 1.09Å | 1.10Å | |
| C01 | H004 | sing | 1.09Å | 1.10Å | |
| C01 | H005 | sing | 1.09Å | 1.10Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| N01 | HN01 | sing | 1.01Å | 1.00Å | |
| C02 | H001 | sing | 1.09Å | 1.10Å | |
| C02 | H002 | sing | 1.09Å | 1.10Å | |
| C02 | H003 | sing | 1.09Å | 1.10Å | |
| N03 | H1 | sing | 1.01Å | 1.00Å | |
| N03 | H2 | sing | 1.01Å | 1.00Å | |
| N03 | HN03 | sing | 1.01Å | 1.00Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N01 | C03 | 109.6° | 109.5° |
| C01 | N01 | C02 | 108.8° | 109.5° |
| N01 | C01 | H006 | 109.5° | 109.4° |
| N01 | C01 | H004 | 109.5° | 109.5° |
| N01 | C01 | H005 | 109.5° | 109.5° |
| C01 | N01 | HN01 | 109.3° | 109.5° |
| C03 | N01 | C02 | 110.6° | 109.5° |
| N01 | C03 | C04 | 112.5° | 109.5° |
| N01 | C03 | H031 | 108.7° | 109.5° |
| N01 | C03 | H032 | 108.7° | 109.5° |
| C03 | N01 | HN01 | 109.3° | 109.5° |
| C02 | N01 | HN01 | 109.3° | 109.4° |
| N01 | C02 | H001 | 109.5° | 109.4° |
| N01 | C02 | H002 | 109.5° | 109.5° |
| N01 | C02 | H003 | 109.5° | 109.5° |
| C03 | C04 | C05 | 112.8° | 109.5° |
| C04 | C03 | H031 | 108.7° | 109.5° |
| C04 | C03 | H032 | 108.7° | 109.5° |
| C03 | C04 | H042 | 108.6° | 109.5° |
| C03 | C04 | H041 | 108.6° | 109.4° |
| C04 | C05 | N02 | 109.3° | 109.4° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.5° |
| C05 | C04 | H042 | 108.6° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.5° |
| C05 | N02 | C06 | 124.9° | 120.0° |
| C05 | N02 | HN02 | 117.5° | 120.0° |
| N02 | C05 | H052 | 109.5° | 109.5° |
| N02 | C05 | H051 | 109.5° | 109.4° |
| N02 | C06 | O01 | 121.9° | 120.0° |
| N02 | C06 | C07 | 115.3° | 120.0° |
| C06 | N02 | HN02 | 117.6° | 120.0° |
| O01 | C06 | C07 | 122.7° | 120.0° |
| C06 | C07 | C08 | 111.0° | 109.5° |
| C06 | C07 | H072 | 109.1° | 109.4° |
| C06 | C07 | H071 | 109.1° | 109.5° |
| C07 | C08 | N03 | 112.1° | 109.5° |
| C08 | C07 | H072 | 109.1° | 109.4° |
| C08 | C07 | H071 | 109.1° | 109.5° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| C08 | N03 | H1 | 109.5° | 109.5° |
| C08 | N03 | H2 | 109.5° | 109.5° |
| C08 | N03 | HN03 | 109.5° | 109.5° |
| N03 | C08 | H081 | 108.8° | 109.4° |
| N03 | C08 | H082 | 108.8° | 109.5° |
| H006 | C01 | H004 | 109.4° | 109.5° |
| H006 | C01 | H005 | 109.5° | 109.5° |
| H004 | C01 | H005 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.4° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H001 | C02 | H002 | 109.4° | 109.5° |
| H001 | C02 | H003 | 109.4° | 109.5° |
| H002 | C02 | H003 | 109.5° | 109.5° |
| H1 | N03 | H2 | 109.5° | 109.4° |
| H1 | N03 | HN03 | 109.4° | 109.4° |
| H2 | N03 | HN03 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N01 | C03 | C02 | 120.0° | 120.0° |
| C01 | N01 | C03 | HN01 | 119.7° | 120.0° |
| C01 | N01 | C02 | HN01 | 119.2° | 120.0° |
| C01 | N01 | C03 | C04 | 165.0° | 65.0° |
| N01 | C01 | H006 | H004 | 120.0° | 120.0° |
| N01 | C01 | H006 | H005 | 120.1° | 120.0° |
| N01 | C01 | H004 | H005 | 120.0° | 120.0° |
| C01 | N01 | C03 | H031 | 44.6° | 175.0° |
| C01 | N01 | C03 | H032 | 74.5° | 55.0° |
| C01 | N01 | C02 | H001 | 180.0° | 60.0° |
| C01 | N01 | C02 | H002 | 60.0° | 179.9° |
| C01 | N01 | C02 | H003 | 60.0° | 60.0° |
| C03 | N01 | C02 | HN01 | 120.4° | 120.0° |
| N01 | C03 | C04 | H031 | 120.5° | 120.0° |
| N01 | C03 | C04 | H032 | 120.4° | 120.0° |
| N01 | C03 | C04 | C05 | 178.1° | 180.0° |
| C03 | N01 | C01 | H006 | 180.0° | 60.0° |
| C03 | N01 | C01 | H004 | 60.0° | 60.0° |
| C03 | N01 | C01 | H005 | 60.0° | 180.0° |
| N01 | C03 | H031 | H032 | 118.6° | 120.0° |
| N01 | C03 | C04 | H042 | 61.4° | 60.0° |
| N01 | C03 | C04 | H041 | 57.6° | 60.0° |
| C03 | N01 | C02 | H001 | 59.6° | 180.0° |
| C03 | N01 | C02 | H002 | 60.4° | 60.0° |
| C03 | N01 | C02 | H003 | 179.6° | 60.0° |
| C02 | N01 | C03 | C04 | 75.0° | 175.0° |
| C02 | N01 | C01 | H006 | 58.9° | 60.0° |
| C02 | N01 | C01 | H004 | 61.1° | 180.0° |
| C02 | N01 | C01 | H005 | 179.0° | 60.0° |
| C02 | N01 | C03 | H031 | 164.5° | 55.0° |
| C02 | N01 | C03 | H032 | 45.4° | 65.0° |
| N01 | C02 | H001 | H002 | 120.0° | 120.0° |
| N01 | C02 | H001 | H003 | 120.0° | 120.0° |
| N01 | C02 | H002 | H003 | 120.0° | 120.0° |
| C03 | C04 | C05 | H042 | 120.5° | 120.0° |
| C03 | C04 | C05 | H041 | 120.5° | 119.9° |
| C03 | C04 | C05 | N02 | 170.1° | 180.0° |
| C04 | C03 | H031 | H032 | 118.6° | 120.0° |
| C03 | C04 | C05 | H052 | 50.1° | 60.0° |
| C03 | C04 | C05 | H051 | 69.9° | 60.0° |
| C03 | C04 | H042 | H041 | 118.5° | 120.0° |
| C04 | C03 | N01 | HN01 | 45.3° | 55.0° |
| C04 | C05 | N02 | H052 | 120.0° | 120.0° |
| C04 | C05 | N02 | H051 | 120.0° | 120.0° |
| C04 | C05 | N02 | C06 | 99.4° | 180.0° |
| C04 | C05 | N02 | HN02 | 80.6° | 0.0° |
| C05 | C04 | C03 | H031 | 57.6° | 60.0° |
| C05 | C04 | C03 | H032 | 61.5° | 60.0° |
| C04 | C05 | H052 | H051 | 120.1° | 120.0° |
| C05 | C04 | H042 | H041 | 118.5° | 120.0° |
| C05 | N02 | C06 | HN02 | 180.0° | 180.0° |
| C05 | N02 | C06 | O01 | 8.0° | 0.0° |
| C05 | N02 | C06 | C07 | 170.5° | 180.0° |
| N02 | C05 | H052 | H051 | 120.1° | 120.0° |
| N02 | C05 | C04 | H042 | 69.4° | 60.0° |
| N02 | C05 | C04 | H041 | 49.6° | 60.0° |
| N02 | C06 | O01 | C07 | 178.4° | 180.0° |
| N02 | C06 | C07 | C08 | 107.0° | 180.0° |
| C06 | N02 | C05 | H052 | 140.6° | 60.0° |
| C06 | N02 | C05 | H051 | 20.6° | 60.0° |
| N02 | C06 | C07 | H072 | 13.3° | 60.0° |
| N02 | C06 | C07 | H071 | 132.8° | 60.0° |
| O01 | C06 | C07 | C08 | 71.5° | 0.1° |
| O01 | C06 | N02 | HN02 | 172.0° | 180.0° |
| O01 | C06 | C07 | H072 | 168.2° | 120.0° |
| O01 | C06 | C07 | H071 | 48.7° | 120.0° |
| C06 | C07 | C08 | H072 | 120.2° | 119.9° |
| C06 | C07 | C08 | H071 | 120.2° | 120.0° |
| C06 | C07 | C08 | N03 | 170.5° | 180.0° |
| C07 | C06 | N02 | HN02 | 9.5° | 0.0° |
| C06 | C07 | H072 | H071 | 119.3° | 120.0° |
| C06 | C07 | C08 | H081 | 50.2° | 60.0° |
| C06 | C07 | C08 | H082 | 69.1° | 59.9° |
| C07 | C08 | N03 | H081 | 120.4° | 120.0° |
| C07 | C08 | N03 | H082 | 120.4° | 120.1° |
| C08 | C07 | H072 | H071 | 119.3° | 120.0° |
| C07 | C08 | N03 | H1 | 180.0° | 60.1° |
| C07 | C08 | N03 | H2 | 60.0° | 59.9° |
| C07 | C08 | N03 | HN03 | 60.0° | 180.0° |
| C07 | C08 | H081 | H082 | 118.8° | 120.0° |
| N03 | C08 | C07 | H072 | 69.2° | 60.1° |
| N03 | C08 | C07 | H071 | 50.3° | 60.0° |
| C08 | N03 | H1 | H2 | 120.0° | 120.1° |
| C08 | N03 | H1 | HN03 | 120.0° | 120.0° |
| C08 | N03 | H2 | HN03 | 120.0° | 120.1° |
| N03 | C08 | H081 | H082 | 118.8° | 120.0° |
| H006 | C01 | H004 | H005 | 120.0° | 120.0° |
| H006 | C01 | N01 | HN01 | 60.3° | 180.0° |
| H004 | C01 | N01 | HN01 | 179.7° | 60.0° |
| H005 | C01 | N01 | HN01 | 59.8° | 60.0° |
| HN02 | N02 | C05 | H052 | 39.4° | 120.0° |
| HN02 | N02 | C05 | H051 | 159.4° | 120.0° |
| H031 | C03 | C04 | H042 | 178.1° | 60.0° |
| H031 | C03 | C04 | H041 | 62.8° | 180.0° |
| H031 | C03 | N01 | HN01 | 75.1° | 65.0° |
| H032 | C03 | C04 | H042 | 59.0° | 180.0° |
| H032 | C03 | C04 | H041 | 178.0° | 60.0° |
| H032 | C03 | N01 | HN01 | 165.8° | 175.0° |
| H052 | C05 | C04 | H042 | 170.6° | 60.0° |
| H052 | C05 | C04 | H041 | 70.4° | 180.0° |
| H051 | C05 | C04 | H042 | 50.6° | 179.9° |
| H051 | C05 | C04 | H041 | 169.6° | 59.9° |
| H072 | C07 | C08 | H081 | 170.4° | 180.0° |
| H072 | C07 | C08 | H082 | 51.1° | 60.0° |
| H071 | C07 | C08 | H081 | 70.1° | 60.0° |
| H071 | C07 | C08 | H082 | 170.7° | 180.0° |
| HN01 | N01 | C02 | H001 | 60.8° | 60.0° |
| HN01 | N01 | C02 | H002 | 179.2° | 59.9° |
| HN01 | N01 | C02 | H003 | 59.2° | 180.0° |
| H001 | C02 | H002 | H003 | 120.0° | 120.0° |
| H1 | N03 | H2 | HN03 | 120.0° | 119.9° |
| H1 | N03 | C08 | H081 | 59.6° | 179.9° |
| H1 | N03 | C08 | H082 | 59.6° | 60.0° |
| H2 | N03 | C08 | H081 | 179.6° | 60.1° |
| H2 | N03 | C08 | H082 | 60.4° | 180.0° |
| HN03 | N03 | C08 | H081 | 60.4° | 60.0° |
| HN03 | N03 | C08 | H082 | 179.6° | 60.0° |
