I6R
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O09 | C08 | doub | 1.22Å | 1.18Å | |
N10 | C08 | sing | 1.35Å | 1.47Å | |
N10 | C03 | sing | 1.37Å | 1.45Å | |
C08 | N07 | sing | 1.35Å | 1.49Å | |
C02 | C03 | sing | 1.51Å | 1.52Å | |
C02 | C01 | sing | 1.53Å | 1.53Å | |
C03 | C04 | doub | 1.35Å | 1.49Å | |
N07 | C05 | sing | 1.35Å | 1.44Å | |
C04 | C05 | sing | 1.42Å | 1.48Å | |
C05 | O06 | doub | 1.22Å | 1.19Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
N07 | H8 | sing | 0.97Å | 1.00Å | |
C04 | H6 | sing | 1.08Å | 1.08Å | |
N10 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O09 | C08 | N10 | 118.9° | 119.6° |
O09 | C08 | N07 | 120.9° | 119.6° |
C08 | N10 | C03 | 118.7° | 120.7° |
N10 | C08 | N07 | 120.2° | 120.9° |
C08 | N10 | H7 | 120.6° | 119.7° |
N10 | C03 | C02 | 118.3° | 120.1° |
N10 | C03 | C04 | 121.7° | 119.7° |
C03 | N10 | H7 | 120.6° | 119.7° |
C08 | N07 | C05 | 120.5° | 120.3° |
C08 | N07 | H8 | 119.7° | 119.9° |
C03 | C02 | C01 | 108.5° | 109.5° |
C02 | C03 | C04 | 120.1° | 120.2° |
C03 | C02 | H4 | 109.7° | 109.5° |
C03 | C02 | H5 | 109.7° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 109.7° | 109.5° |
C01 | C02 | H5 | 109.7° | 109.5° |
C03 | C04 | C05 | 119.0° | 119.1° |
C03 | C04 | H6 | 120.5° | 120.4° |
N07 | C05 | C04 | 119.8° | 119.4° |
N07 | C05 | O06 | 119.8° | 120.3° |
C05 | N07 | H8 | 119.7° | 119.8° |
C04 | C05 | O06 | 120.4° | 120.3° |
C05 | C04 | H6 | 120.5° | 120.5° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C02 | H5 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O09 | C08 | N10 | N07 | 179.3° | 179.7° |
O09 | C08 | N10 | C03 | 179.3° | 179.7° |
O09 | C08 | N07 | C05 | 179.5° | 180.0° |
O09 | C08 | N07 | H8 | 0.5° | 0.2° |
O09 | C08 | N10 | H7 | 0.7° | 0.3° |
C08 | N10 | C03 | H7 | 180.0° | 179.4° |
C08 | N10 | C03 | C02 | 179.2° | 179.7° |
C08 | N10 | C03 | C04 | 0.4° | 0.6° |
N10 | C08 | N07 | C05 | 0.2° | 0.3° |
N10 | C08 | N07 | H8 | 179.8° | 180.0° |
C03 | N10 | C08 | N07 | 0.0° | 0.6° |
N10 | C03 | C02 | C04 | 179.6° | 179.7° |
N10 | C03 | C02 | C01 | 65.0° | 85.3° |
N10 | C03 | C04 | C05 | 0.5° | 0.3° |
N10 | C03 | C02 | H4 | 54.9° | 154.7° |
N10 | C03 | C02 | H5 | 175.2° | 34.7° |
N10 | C03 | C04 | H6 | 179.5° | 179.7° |
C08 | N07 | C05 | H8 | 180.0° | 179.8° |
C08 | N07 | C05 | C04 | 0.0° | 0.0° |
C08 | N07 | C05 | O06 | 179.8° | 180.0° |
N07 | C08 | N10 | H7 | 180.0° | 180.0° |
C03 | C02 | C01 | H4 | 119.8° | 120.0° |
C03 | C02 | C01 | H5 | 119.9° | 120.0° |
C02 | C03 | C04 | C05 | 179.0° | 180.0° |
C03 | C02 | C01 | H1 | 180.0° | 180.0° |
C03 | C02 | C01 | H2 | 60.0° | 60.0° |
C03 | C02 | C01 | H3 | 60.0° | 60.1° |
C03 | C02 | H4 | H5 | 120.4° | 120.0° |
C02 | C03 | C04 | H6 | 1.0° | 0.0° |
C02 | C03 | N10 | H7 | 0.8° | 0.3° |
C01 | C02 | C03 | C04 | 114.6° | 95.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 120.5° | 120.0° |
C03 | C04 | C05 | N07 | 0.3° | 0.0° |
C03 | C04 | C05 | H6 | 180.0° | 180.0° |
C03 | C04 | C05 | O06 | 179.9° | 180.0° |
C04 | C03 | C02 | H4 | 125.5° | 25.0° |
C04 | C03 | C02 | H5 | 5.2° | 145.0° |
C04 | C03 | N10 | H7 | 179.6° | 180.0° |
N07 | C05 | C04 | O06 | 179.8° | 180.0° |
N07 | C05 | C04 | H6 | 179.7° | 180.0° |
C04 | C05 | N07 | H8 | 180.0° | 179.8° |
O06 | C05 | N07 | H8 | 0.2° | 0.2° |
O06 | C05 | C04 | H6 | 0.1° | 0.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 60.2° | 60.0° |
H1 | C01 | C02 | H5 | 60.2° | 60.0° |
H2 | C01 | C02 | H4 | 179.8° | 60.0° |
H2 | C01 | C02 | H5 | 59.9° | 180.0° |
H3 | C01 | C02 | H4 | 59.8° | 179.9° |
H3 | C01 | C02 | H5 | 179.9° | 60.0° |