RA7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C5 | sing | 1.43Å | 1.41Å | |
O | C4 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C6 | N1 | sing | 1.47Å | 1.47Å | |
C3 | N1 | sing | 1.47Å | 1.46Å | |
N1 | C2 | sing | 1.39Å | 1.35Å | |
C2 | S | sing | 1.71Å | 1.72Å | Aromatic |
C2 | N | doub | 1.30Å | 1.32Å | Aromatic |
S | C1 | sing | 1.76Å | 1.71Å | Aromatic |
N | C | sing | 1.32Å | 1.38Å | Aromatic |
C1 | C | doub | 1.33Å | 1.35Å | Aromatic |
C1 | C7 | sing | 1.51Å | 1.49Å | |
O1 | C7 | sing | 1.43Å | 1.44Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
O1 | H9 | sing | 0.97Å | 0.95Å | |
C | H10 | sing | 1.08Å | 1.08Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
C3 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | O | C4 | 110.2° | 113.7° |
O | C5 | C6 | 111.0° | 109.2° |
O | C5 | H3 | 109.1° | 109.5° |
O | C5 | H4 | 109.1° | 109.5° |
O | C4 | C3 | 112.3° | 109.2° |
O | C4 | H1 | 108.8° | 109.5° |
O | C4 | H2 | 108.7° | 109.6° |
C5 | C6 | N1 | 111.0° | 109.3° |
C6 | C5 | H3 | 109.1° | 109.5° |
C6 | C5 | H4 | 109.1° | 109.5° |
C5 | C6 | H5 | 109.1° | 109.6° |
C5 | C6 | H6 | 109.1° | 109.5° |
C4 | C3 | N1 | 111.8° | 109.3° |
C3 | C4 | H1 | 108.8° | 109.5° |
C3 | C4 | H2 | 108.7° | 109.5° |
C4 | C3 | H11 | 108.9° | 109.5° |
C4 | C3 | H12 | 108.9° | 109.5° |
C6 | N1 | C3 | 115.5° | 110.7° |
C6 | N1 | C2 | 118.7° | 111.0° |
N1 | C6 | H5 | 109.1° | 109.5° |
N1 | C6 | H6 | 109.1° | 109.5° |
C3 | N1 | C2 | 117.2° | 111.0° |
N1 | C3 | H11 | 108.9° | 109.5° |
N1 | C3 | H12 | 108.9° | 109.6° |
N1 | C2 | S | 121.4° | 125.0° |
N1 | C2 | N | 124.6° | 124.9° |
S | C2 | N | 113.9° | 110.1° |
C2 | S | C1 | 90.4° | 90.4° |
C2 | N | C | 109.5° | 116.9° |
S | C1 | C | 109.0° | 108.1° |
S | C1 | C7 | 122.0° | 125.9° |
N | C | C1 | 116.9° | 114.6° |
N | C | H10 | 121.5° | 122.7° |
C | C1 | C7 | 129.0° | 125.9° |
C1 | C | H10 | 121.5° | 122.7° |
C1 | C7 | O1 | 109.2° | 109.5° |
C1 | C7 | H7 | 109.6° | 109.4° |
C1 | C7 | H8 | 109.5° | 109.5° |
O1 | C7 | H7 | 109.5° | 109.4° |
O1 | C7 | H8 | 109.6° | 109.5° |
C7 | O1 | H9 | 109.5° | 114.0° |
H1 | C4 | H2 | 109.5° | 109.5° |
H3 | C5 | H4 | 109.5° | 109.6° |
H5 | C6 | H6 | 109.5° | 109.5° |
H7 | C7 | H8 | 109.5° | 109.5° |
H11 | C3 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C5 | C6 | H3 | 120.2° | 119.9° |
O | C5 | C6 | H4 | 120.2° | 119.9° |
C5 | O | C4 | C3 | 59.9° | 58.7° |
O | C5 | C6 | N1 | 55.2° | 56.9° |
C5 | O | C4 | H1 | 60.6° | 61.2° |
C5 | O | C4 | H2 | 179.7° | 178.6° |
O | C5 | H3 | H4 | 119.3° | 120.1° |
O | C5 | C6 | H5 | 65.1° | 63.1° |
O | C5 | C6 | H6 | 175.4° | 176.8° |
C4 | O | C5 | C6 | 62.7° | 58.7° |
O | C4 | C3 | H1 | 120.4° | 119.9° |
O | C4 | C3 | H2 | 120.4° | 120.0° |
O | C4 | C3 | N1 | 48.8° | 56.9° |
O | C4 | H1 | H2 | 118.7° | 120.2° |
C4 | O | C5 | H3 | 177.0° | 61.2° |
C4 | O | C5 | H4 | 57.5° | 178.6° |
O | C4 | C3 | H11 | 169.1° | 176.8° |
O | C4 | C3 | H12 | 71.6° | 63.1° |
C5 | C6 | N1 | H5 | 120.2° | 120.0° |
C5 | C6 | N1 | H6 | 120.2° | 120.0° |
C5 | C6 | N1 | C3 | 45.5° | 58.6° |
C5 | C6 | N1 | C2 | 167.5° | 177.6° |
C6 | C5 | H3 | H4 | 119.3° | 120.1° |
C5 | C6 | H5 | H6 | 119.3° | 120.1° |
C4 | C3 | N1 | C6 | 42.6° | 58.6° |
C4 | C3 | N1 | H11 | 120.3° | 119.9° |
C4 | C3 | N1 | H12 | 120.3° | 119.9° |
C4 | C3 | N1 | C2 | 169.9° | 177.6° |
C3 | C4 | H1 | H2 | 118.7° | 120.0° |
C4 | C3 | H11 | H12 | 118.9° | 120.1° |
C6 | N1 | C3 | C2 | 147.6° | 123.8° |
C6 | N1 | C2 | S | 22.9° | 180.0° |
C6 | N1 | C2 | N | 158.9° | 0.1° |
N1 | C6 | C5 | H3 | 175.4° | 63.0° |
N1 | C6 | C5 | H4 | 65.1° | 176.8° |
N1 | C6 | H5 | H6 | 119.3° | 120.0° |
C6 | N1 | C3 | H11 | 162.9° | 178.5° |
C6 | N1 | C3 | H12 | 77.8° | 61.3° |
C3 | N1 | C2 | S | 169.4° | 56.5° |
C3 | N1 | C2 | N | 12.4° | 123.6° |
N1 | C3 | C4 | H1 | 71.7° | 63.1° |
N1 | C3 | C4 | H2 | 169.2° | 176.9° |
C3 | N1 | C6 | H5 | 74.8° | 61.4° |
C3 | N1 | C6 | H6 | 165.7° | 178.6° |
N1 | C3 | H11 | H12 | 118.9° | 120.2° |
N1 | C2 | S | N | 178.4° | 179.9° |
N1 | C2 | S | C1 | 174.7° | 180.0° |
N1 | C2 | N | C | 173.1° | 180.0° |
C2 | N1 | C6 | H5 | 72.3° | 62.4° |
C2 | N1 | C6 | H6 | 47.2° | 57.7° |
C2 | N1 | C3 | H11 | 49.5° | 57.7° |
C2 | N1 | C3 | H12 | 69.8° | 62.4° |
S | C2 | N | C | 5.2° | 0.1° |
C2 | S | C1 | C | 1.0° | 0.1° |
C2 | S | C1 | C7 | 179.9° | 179.7° |
N | C2 | S | C1 | 3.7° | 0.1° |
C2 | N | C | C1 | 4.5° | 0.0° |
C2 | N | C | H10 | 175.5° | 179.7° |
S | C1 | C | N | 1.8° | 0.0° |
S | C1 | C | C7 | 179.0° | 179.7° |
S | C1 | C7 | O1 | 30.4° | 89.7° |
S | C1 | C7 | H7 | 150.3° | 150.4° |
S | C1 | C7 | H8 | 89.6° | 30.3° |
S | C1 | C | H10 | 178.2° | 179.7° |
N | C | C1 | H10 | 180.0° | 179.7° |
N | C | C1 | C7 | 177.2° | 179.7° |
C | C1 | C7 | O1 | 150.8° | 89.9° |
C | C1 | C7 | H7 | 30.8° | 30.0° |
C | C1 | C7 | H8 | 89.3° | 150.0° |
C1 | C7 | O1 | H7 | 120.0° | 119.9° |
C1 | C7 | O1 | H8 | 119.9° | 120.0° |
C1 | C7 | H7 | H8 | 120.1° | 120.0° |
C1 | C7 | O1 | H9 | 180.0° | 180.0° |
C7 | C1 | C | H10 | 2.8° | 0.0° |
O1 | C7 | H7 | H8 | 120.1° | 120.0° |
H1 | C4 | C3 | H11 | 48.7° | 56.9° |
H1 | C4 | C3 | H12 | 168.0° | 176.9° |
H2 | C4 | C3 | H11 | 70.5° | 63.2° |
H2 | C4 | C3 | H12 | 48.8° | 56.9° |
H3 | C5 | C6 | H5 | 55.2° | 177.0° |
H3 | C5 | C6 | H6 | 64.4° | 56.9° |
H4 | C5 | C6 | H5 | 174.7° | 56.9° |
H4 | C5 | C6 | H6 | 55.2° | 63.2° |
H7 | C7 | O1 | H9 | 60.1° | 60.1° |
H8 | C7 | O1 | H9 | 60.1° | 59.9° |