HL6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C4 | sing | 1.46Å | 1.45Å | |
N | C5 | sing | 1.35Å | 1.34Å | |
C1 | O1 | doub | 1.21Å | 1.22Å | |
C1 | O2 | sing | 1.34Å | 1.43Å | |
C1 | C4 | sing | 1.51Å | 1.50Å | |
C2 | O2 | sing | 1.45Å | 1.44Å | |
C2 | C3 | sing | 1.55Å | 1.54Å | |
C3 | C4 | sing | 1.55Å | 1.52Å | |
O3 | C5 | doub | 1.21Å | 1.23Å | |
C5 | C6 | sing | 1.51Å | 1.50Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C7 | C8 | sing | 1.53Å | 1.51Å | |
C8 | C9 | sing | 1.53Å | 1.52Å | |
C9 | C10 | sing | 1.53Å | 1.51Å | |
N | HN | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | N | C5 | 121.0° | 120.0° |
N | C4 | C1 | 111.7° | 110.5° |
N | C4 | C3 | 113.1° | 110.5° |
C4 | N | HN | 119.5° | 120.0° |
N | C4 | H4 | 103.4° | 110.5° |
N | C5 | O3 | 123.5° | 120.0° |
N | C5 | C6 | 115.1° | 120.0° |
C5 | N | HN | 119.5° | 120.0° |
O1 | C1 | O2 | 122.4° | 125.0° |
O1 | C1 | C4 | 127.7° | 124.9° |
O2 | C1 | C4 | 109.9° | 110.1° |
C1 | O2 | C2 | 110.3° | 111.7° |
C1 | C4 | C3 | 102.0° | 103.9° |
C1 | C4 | H4 | 114.3° | 110.5° |
O2 | C2 | C3 | 104.1° | 105.6° |
O2 | C2 | H2 | 111.3° | 110.2° |
O2 | C2 | H2A | 111.3° | 110.2° |
C2 | C3 | C4 | 105.3° | 101.6° |
C3 | C2 | H2 | 111.3° | 110.4° |
C3 | C2 | H2A | 111.3° | 110.1° |
C2 | C3 | H3 | 110.9° | 111.0° |
C2 | C3 | H3A | 110.9° | 110.9° |
C4 | C3 | H3 | 110.9° | 111.0° |
C4 | C3 | H3A | 110.9° | 111.0° |
C3 | C4 | H4 | 112.8° | 110.7° |
O3 | C5 | C6 | 121.4° | 120.1° |
C5 | C6 | C7 | 111.0° | 109.5° |
C5 | C6 | H6 | 109.0° | 109.5° |
C5 | C6 | H6A | 109.0° | 109.4° |
C6 | C7 | C8 | 110.8° | 109.5° |
C7 | C6 | H6 | 109.0° | 109.5° |
C7 | C6 | H6A | 108.9° | 109.5° |
C6 | C7 | H7 | 109.0° | 109.5° |
C6 | C7 | H7A | 109.1° | 109.4° |
C7 | C8 | C9 | 108.4° | 109.5° |
C8 | C7 | H7 | 109.1° | 109.5° |
C8 | C7 | H7A | 109.0° | 109.5° |
C7 | C8 | H8 | 109.8° | 109.5° |
C7 | C8 | H8A | 109.8° | 109.5° |
C8 | C9 | C10 | 109.9° | 109.5° |
C9 | C8 | H8 | 109.9° | 109.4° |
C9 | C8 | H8A | 109.9° | 109.5° |
C8 | C9 | H9 | 109.3° | 109.5° |
C8 | C9 | H9A | 109.3° | 109.4° |
C10 | C9 | H9 | 109.3° | 109.5° |
C10 | C9 | H9A | 109.3° | 109.5° |
C9 | C10 | H10 | 109.5° | 109.5° |
C9 | C10 | H10A | 109.5° | 109.4° |
C9 | C10 | H10B | 109.4° | 109.5° |
H2 | C2 | H2A | 107.6° | 110.3° |
H3 | C3 | H3A | 108.0° | 111.0° |
H6 | C6 | H6A | 110.0° | 109.5° |
H7 | C7 | H7A | 109.9° | 109.5° |
H8 | C8 | H8A | 109.1° | 109.5° |
H9 | C9 | H9A | 109.6° | 109.4° |
H10 | C10 | H10A | 109.5° | 109.5° |
H10 | C10 | H10B | 109.5° | 109.5° |
H10A | C10 | H10B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | N | C5 | HN | 180.0° | 179.7° |
N | C4 | C1 | O1 | 40.9° | 45.4° |
N | C4 | C1 | O2 | 139.4° | 134.9° |
N | C4 | C1 | C3 | 121.1° | 118.6° |
N | C4 | C1 | H4 | 116.9° | 122.6° |
N | C4 | C3 | C2 | 147.6° | 143.2° |
N | C4 | C3 | H4 | 116.9° | 122.7° |
C4 | N | C5 | O3 | 1.2° | 0.0° |
C4 | N | C5 | C6 | 178.9° | 180.0° |
N | C4 | C3 | H3 | 27.6° | 25.2° |
N | C4 | C3 | H3A | 92.4° | 98.7° |
C5 | N | C4 | C1 | 103.2° | 86.5° |
C5 | N | C4 | C3 | 142.4° | 159.0° |
N | C5 | O3 | C6 | 179.9° | 180.0° |
N | C5 | C6 | C7 | 123.4° | 180.0° |
C5 | N | C4 | H4 | 20.1° | 36.2° |
N | C5 | C6 | H6 | 3.4° | 60.0° |
N | C5 | C6 | H6A | 116.6° | 60.0° |
O1 | C1 | O2 | C4 | 179.7° | 179.7° |
O1 | C1 | O2 | C2 | 179.2° | 179.5° |
O1 | C1 | C4 | C3 | 162.0° | 164.0° |
O1 | C1 | C4 | H4 | 75.9° | 77.3° |
C1 | O2 | C2 | C3 | 16.6° | 16.9° |
O2 | C1 | C4 | C3 | 18.3° | 16.3° |
C1 | O2 | C2 | H2 | 136.5° | 136.1° |
C1 | O2 | C2 | H2A | 103.4° | 102.0° |
O2 | C1 | C4 | H4 | 103.8° | 102.4° |
C4 | C1 | O2 | C2 | 1.1° | 0.2° |
C1 | C4 | C3 | C2 | 27.5° | 24.7° |
C1 | C4 | C3 | H4 | 123.0° | 118.7° |
C1 | C4 | N | HN | 76.8° | 93.2° |
C1 | C4 | C3 | H3 | 92.5° | 93.4° |
C1 | C4 | C3 | H3A | 147.5° | 142.7° |
O2 | C2 | C3 | H2 | 120.0° | 119.1° |
O2 | C2 | C3 | H2A | 120.0° | 118.9° |
O2 | C2 | C3 | C4 | 27.6° | 25.3° |
O2 | C2 | H2 | H2A | 122.2° | 121.8° |
O2 | C2 | C3 | H3 | 92.4° | 92.8° |
O2 | C2 | C3 | H3A | 147.6° | 143.4° |
C2 | C3 | C4 | H3 | 120.0° | 118.0° |
C2 | C3 | C4 | H3A | 120.0° | 118.0° |
C3 | C2 | H2 | H2A | 122.1° | 121.9° |
C2 | C3 | H3 | H3A | 121.7° | 123.8° |
C2 | C3 | C4 | H4 | 95.5° | 94.0° |
C3 | C4 | N | HN | 37.6° | 21.3° |
C4 | C3 | C2 | H2 | 147.6° | 144.4° |
C4 | C3 | C2 | H2A | 92.4° | 93.6° |
C4 | C3 | H3 | H3A | 121.7° | 124.0° |
O3 | C5 | C6 | C7 | 56.7° | 0.0° |
O3 | C5 | N | HN | 178.8° | 179.7° |
O3 | C5 | C6 | H6 | 176.7° | 120.0° |
O3 | C5 | C6 | H6A | 63.3° | 120.0° |
C5 | C6 | C7 | H6 | 120.0° | 120.0° |
C5 | C6 | C7 | H6A | 120.0° | 119.9° |
C5 | C6 | C7 | C8 | 73.6° | 180.0° |
C6 | C5 | N | HN | 1.0° | 0.3° |
C5 | C6 | H6 | H6A | 119.4° | 120.0° |
C5 | C6 | C7 | H7 | 166.4° | 60.0° |
C5 | C6 | C7 | H7A | 46.4° | 60.0° |
C6 | C7 | C8 | H7 | 120.0° | 120.0° |
C6 | C7 | C8 | H7A | 120.0° | 120.0° |
C6 | C7 | C8 | C9 | 150.2° | NaN° |
C7 | C6 | H6 | H6A | 119.3° | 120.0° |
C6 | C7 | H7 | H7A | 119.5° | 120.0° |
C6 | C7 | C8 | H8 | 89.8° | 60.0° |
C6 | C7 | C8 | H8A | 30.2° | 60.0° |
C7 | C8 | C9 | H8 | 120.0° | 120.0° |
C7 | C8 | C9 | H8A | 120.0° | 120.0° |
C7 | C8 | C9 | C10 | 148.9° | 180.0° |
C8 | C7 | C6 | H6 | 46.4° | 60.0° |
C8 | C7 | C6 | H6A | 166.4° | 60.0° |
C8 | C7 | H7 | H7A | 119.4° | 120.1° |
C7 | C8 | H8 | H8A | 120.4° | 120.0° |
C7 | C8 | C9 | H9 | 91.2° | 60.0° |
C7 | C8 | C9 | H9A | 28.9° | 60.0° |
C8 | C9 | C10 | H9 | 120.0° | 120.0° |
C8 | C9 | C10 | H9A | 120.0° | 120.0° |
C9 | C8 | C7 | H7 | 30.2° | 60.0° |
C9 | C8 | C7 | H7A | 89.8° | 60.0° |
C9 | C8 | H8 | H8A | 120.5° | 120.0° |
C8 | C9 | H9 | H9A | 119.9° | 120.0° |
C8 | C9 | C10 | H10 | 180.0° | 60.0° |
C8 | C9 | C10 | H10A | 60.0° | 60.0° |
C8 | C9 | C10 | H10B | 60.0° | 180.0° |
C10 | C9 | C8 | H8 | 28.9° | 60.0° |
C10 | C9 | C8 | H8A | 91.1° | 60.1° |
C10 | C9 | H9 | H9A | 119.8° | 120.0° |
C9 | C10 | H10 | H10A | 120.0° | 120.0° |
C9 | C10 | H10 | H10B | 120.0° | 120.0° |
C9 | C10 | H10A | H10B | 120.0° | 119.9° |
HN | N | C4 | H4 | 159.9° | 144.1° |
H2 | C2 | C3 | H3 | 27.6° | 26.3° |
H2 | C2 | C3 | H3A | 92.4° | 97.5° |
H2A | C2 | C3 | H3 | 147.6° | 148.3° |
H2A | C2 | C3 | H3A | 27.6° | 24.4° |
H3 | C3 | C4 | H4 | 144.5° | 147.9° |
H3A | C3 | C4 | H4 | 24.5° | 24.0° |
H6 | C6 | C7 | H7 | 73.6° | 180.0° |
H6 | C6 | C7 | H7A | 166.4° | 60.0° |
H6A | C6 | C7 | H7 | 46.4° | 59.9° |
H6A | C6 | C7 | H7A | 73.6° | 179.9° |
H7 | C7 | C8 | H8 | 150.2° | 180.0° |
H7 | C7 | C8 | H8A | 89.8° | 59.9° |
H7A | C7 | C8 | H8 | 30.3° | 59.9° |
H7A | C7 | C8 | H8A | 150.2° | 180.0° |
H8 | C8 | C9 | H9 | 148.8° | 179.9° |
H8 | C8 | C9 | H9A | 91.1° | 60.0° |
H8A | C8 | C9 | H9 | 28.8° | 60.0° |
H8A | C8 | C9 | H9A | 148.9° | 179.9° |
H9 | C9 | C10 | H10 | 60.0° | 180.0° |
H9 | C9 | C10 | H10A | 180.0° | 60.0° |
H9 | C9 | C10 | H10B | 59.9° | 59.9° |
H9A | C9 | C10 | H10 | 60.0° | 60.0° |
H9A | C9 | C10 | H10A | 60.0° | 180.0° |
H9A | C9 | C10 | H10B | 180.0° | 60.0° |
H10 | C10 | H10A | H10B | 120.0° | 120.1° |