1LN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C09 | sing | 0.00Å | 1.55Å | |
C08 | N04 | sing | 0.00Å | 1.45Å | |
C03 | N04 | doub | 0.00Å | 1.36Å | Aromatic |
C03 | C02 | sing | 0.00Å | 1.40Å | Aromatic |
C09 | O10 | sing | 0.00Å | 1.44Å | |
N04 | C05 | sing | 0.00Å | 1.36Å | Aromatic |
C02 | C01 | doub | 0.00Å | 1.42Å | Aromatic |
C05 | N07 | sing | 0.00Å | 1.45Å | |
C05 | C06 | doub | 0.00Å | 1.44Å | Aromatic |
C01 | C06 | sing | 0.00Å | 1.38Å | Aromatic |
C01 | H1 | sing | 0.00Å | 1.08Å | |
C02 | H2 | sing | 0.00Å | 1.08Å | |
C03 | H3 | sing | 0.00Å | 1.08Å | |
C06 | H4 | sing | 0.00Å | 1.08Å | |
N07 | H5 | sing | 0.00Å | 1.00Å | |
N07 | H6 | sing | 0.00Å | 1.00Å | |
C08 | H7 | sing | 0.00Å | 1.10Å | |
C08 | H8 | sing | 0.00Å | 1.10Å | |
C09 | H9 | sing | 0.00Å | 1.10Å | |
C09 | H10 | sing | 0.00Å | 1.10Å | |
O10 | H11 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C08 | N04 | 119.9° | 90.0° |
C08 | C09 | O10 | 116.4° | 90.0° |
C09 | C08 | H7 | 106.8° | 90.0° |
C09 | C08 | H8 | 106.8° | 90.0° |
C08 | C09 | H9 | 107.7° | 90.0° |
C08 | C09 | H10 | 107.7° | 90.0° |
C08 | N04 | C03 | 116.7° | 90.0° |
C08 | N04 | C05 | 122.3° | 90.0° |
N04 | C08 | H7 | 106.8° | 90.0° |
N04 | C08 | H8 | 106.8° | 90.0° |
N04 | C03 | C02 | 120.4° | 90.0° |
C03 | N04 | C05 | 120.9° | 90.0° |
N04 | C03 | H3 | 119.8° | 90.0° |
C03 | C02 | C01 | 118.8° | 90.0° |
C03 | C02 | H2 | 120.6° | 90.0° |
C02 | C03 | H3 | 119.8° | 90.0° |
O10 | C09 | H9 | 107.7° | 90.0° |
O10 | C09 | H10 | 107.7° | 90.0° |
C09 | O10 | H11 | 109.5° | 90.0° |
N04 | C05 | N07 | 124.4° | 90.0° |
N04 | C05 | C06 | 121.6° | 90.0° |
C02 | C01 | C06 | 121.3° | 90.0° |
C02 | C01 | H1 | 119.4° | 90.0° |
C01 | C02 | H2 | 120.6° | 90.0° |
N07 | C05 | C06 | 114.0° | 90.0° |
C05 | N07 | H5 | 109.5° | 90.0° |
C05 | N07 | H6 | 109.5° | 90.0° |
C05 | C06 | C01 | 116.9° | 90.0° |
C05 | C06 | H4 | 121.6° | 90.0° |
C06 | C01 | H1 | 119.3° | 90.0° |
C01 | C06 | H4 | 121.5° | 90.0° |
H5 | N07 | H6 | 109.5° | 90.0° |
H7 | C08 | H8 | 109.5° | 90.0° |
H9 | C09 | H10 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C08 | N04 | H7 | 121.5° | 90.0° |
C09 | C08 | N04 | H8 | 121.4° | 90.0° |
C09 | C08 | N04 | C03 | 106.9° | 90.0° |
C08 | C09 | O10 | H9 | 121.0° | 90.0° |
C08 | C09 | O10 | H10 | 121.0° | 90.0° |
C09 | C08 | N04 | C05 | 74.6° | 90.0° |
C09 | C08 | H7 | H8 | 115.3° | 90.0° |
C08 | C09 | H9 | H10 | 116.8° | 90.0° |
C08 | C09 | O10 | H11 | 180.0° | 90.0° |
C08 | N04 | C03 | C05 | 178.5° | 90.0° |
C08 | N04 | C03 | C02 | 179.7° | 90.0° |
N04 | C08 | C09 | O10 | 38.3° | 90.0° |
C08 | N04 | C05 | N07 | 0.3° | 90.0° |
C08 | N04 | C05 | C06 | 179.8° | 90.0° |
C08 | N04 | C03 | H3 | 0.3° | 90.0° |
N04 | C08 | H7 | H8 | 115.3° | 90.0° |
N04 | C08 | C09 | H9 | 82.7° | 90.0° |
N04 | C08 | C09 | H10 | 159.3° | 90.0° |
N04 | C03 | C02 | H3 | 180.0° | 90.0° |
N04 | C03 | C02 | C01 | 0.1° | 90.0° |
C03 | N04 | C05 | N07 | 178.7° | 90.0° |
C03 | N04 | C05 | C06 | 1.3° | 90.0° |
N04 | C03 | C02 | H2 | 179.9° | 90.0° |
C03 | N04 | C08 | H7 | 14.5° | 90.0° |
C03 | N04 | C08 | H8 | 131.6° | 90.0° |
C02 | C03 | N04 | C05 | 1.2° | 90.0° |
C03 | C02 | C01 | H2 | 180.0° | 90.0° |
C03 | C02 | C01 | C06 | 0.9° | 90.0° |
C03 | C02 | C01 | H1 | 179.1° | 90.0° |
O10 | C09 | C08 | H7 | 83.2° | 90.0° |
O10 | C09 | C08 | H8 | 159.7° | 90.0° |
O10 | C09 | H9 | H10 | 116.9° | 90.0° |
N04 | C05 | N07 | C06 | 180.0° | 90.0° |
N04 | C05 | C06 | C01 | 0.4° | 90.0° |
C05 | N04 | C03 | H3 | 178.8° | 90.0° |
N04 | C05 | C06 | H4 | 179.6° | 90.0° |
N04 | C05 | N07 | H5 | 180.0° | 90.0° |
N04 | C05 | N07 | H6 | 60.0° | 90.0° |
C05 | N04 | C08 | H7 | 164.0° | 90.0° |
C05 | N04 | C08 | H8 | 46.9° | 90.0° |
C02 | C01 | C06 | C05 | 0.7° | 90.0° |
C02 | C01 | C06 | H1 | 180.0° | 90.0° |
C01 | C02 | C03 | H3 | 179.9° | 90.0° |
C02 | C01 | C06 | H4 | 179.3° | 90.0° |
N07 | C05 | C06 | C01 | 179.7° | 90.0° |
N07 | C05 | C06 | H4 | 0.3° | 90.0° |
C05 | N07 | H5 | H6 | 120.0° | 90.0° |
C05 | C06 | C01 | H4 | 180.0° | 90.0° |
C05 | C06 | C01 | H1 | 179.2° | 90.0° |
C06 | C05 | N07 | H5 | 0.0° | 90.0° |
C06 | C05 | N07 | H6 | 120.1° | 90.0° |
C06 | C01 | C02 | H2 | 179.1° | 90.0° |
H1 | C01 | C02 | H2 | 0.9° | 90.0° |
H1 | C01 | C06 | H4 | 0.8° | 90.0° |
H2 | C02 | C03 | H3 | 0.1° | 90.0° |
H7 | C08 | C09 | H9 | 155.8° | 90.0° |
H7 | C08 | C09 | H10 | 37.8° | 90.0° |
H8 | C08 | C09 | H9 | 38.7° | 90.0° |
H8 | C08 | C09 | H10 | 79.3° | 90.0° |
H9 | C09 | O10 | H11 | 59.0° | 90.0° |
H10 | C09 | O10 | H11 | 59.0° | 90.0° |