RM1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | N10 | sing | 1.47Å | 1.46Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.11Å | |
C10 | H103 | sing | 1.09Å | 1.11Å | |
N10 | C9 | sing | 1.47Å | 1.46Å | |
N10 | H10 | sing | 1.01Å | 1.02Å | |
C9 | C8 | sing | 1.51Å | 1.50Å | |
C9 | C1 | sing | 1.54Å | 1.54Å | |
C9 | H9 | sing | 1.09Å | 1.11Å | |
C8 | C7 | doub | 1.38Å | 1.34Å | Aromatic |
C8 | C3 | sing | 1.38Å | 1.32Å | Aromatic |
C7 | C6 | sing | 1.38Å | 1.35Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C6 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C4 | C3 | doub | 1.39Å | 1.35Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C3 | C2 | sing | 1.51Å | 1.50Å | |
C2 | C1 | sing | 1.54Å | 1.53Å | |
C2 | H2C1 | sing | 1.09Å | 1.12Å | |
C2 | H2C2 | sing | 1.09Å | 1.12Å | |
C1 | H1C1 | sing | 1.09Å | 1.12Å | |
C1 | H1C2 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N10 | C10 | H101 | 120.1° | 109.5° |
N10 | C10 | H102 | 108.4° | 109.5° |
N10 | C10 | H103 | 108.4° | 109.4° |
C10 | N10 | C9 | 120.1° | 106.7° |
C10 | N10 | H10 | 108.4° | 106.7° |
H101 | C10 | H102 | 108.4° | 109.5° |
H101 | C10 | H103 | 108.4° | 109.4° |
H102 | C10 | H103 | 101.5° | 109.5° |
C9 | N10 | H10 | 108.4° | 106.7° |
N10 | C9 | C8 | 114.2° | 110.3° |
N10 | C9 | C1 | 106.5° | 110.4° |
N10 | C9 | H9 | 110.9° | 110.3° |
C8 | C9 | C1 | 103.3° | 105.2° |
C8 | C9 | H9 | 110.9° | 110.3° |
C9 | C8 | C7 | 126.6° | 130.5° |
C9 | C8 | C3 | 112.8° | 109.7° |
C1 | C9 | H9 | 110.8° | 110.3° |
C9 | C1 | C2 | 107.7° | 102.4° |
C9 | C1 | H1C1 | 112.9° | 110.8° |
C9 | C1 | H1C2 | 112.9° | 110.8° |
C7 | C8 | C3 | 120.6° | 119.9° |
C8 | C7 | C6 | 118.5° | 120.2° |
C8 | C7 | H7 | 120.7° | 119.9° |
C8 | C3 | C4 | 121.5° | 119.8° |
C8 | C3 | C2 | 112.5° | 109.8° |
C6 | C7 | H7 | 120.7° | 119.9° |
C7 | C6 | C5 | 120.9° | 119.9° |
C7 | C6 | H6 | 119.5° | 120.0° |
C5 | C6 | H6 | 119.5° | 120.1° |
C6 | C5 | C4 | 119.9° | 120.0° |
C6 | C5 | H5 | 120.0° | 120.0° |
C4 | C5 | H5 | 120.1° | 120.1° |
C5 | C4 | C3 | 118.4° | 120.2° |
C5 | C4 | H4 | 120.8° | 119.9° |
C3 | C4 | H4 | 120.8° | 119.9° |
C4 | C3 | C2 | 126.0° | 130.4° |
C3 | C2 | C1 | 103.2° | 105.2° |
C3 | C2 | H2C1 | 114.6° | 110.3° |
C3 | C2 | H2C2 | 114.6° | 110.3° |
C1 | C2 | H2C1 | 114.6° | 110.3° |
C1 | C2 | H2C2 | 114.6° | 110.3° |
C2 | C1 | H1C1 | 112.9° | 110.8° |
C2 | C1 | H1C2 | 112.9° | 110.9° |
H2C1 | C2 | H2C2 | 95.9° | 110.3° |
H1C1 | C1 | H1C2 | 97.6° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C10 | H101 | H102 | 125.2° | 120.0° |
N10 | C10 | H101 | H103 | 125.3° | 119.9° |
N10 | C10 | H102 | H103 | 114.0° | 119.9° |
C10 | N10 | C9 | H10 | 125.3° | 113.8° |
C10 | N10 | C9 | C8 | 165.7° | 87.8° |
C10 | N10 | C9 | C1 | 81.0° | 156.4° |
C10 | N10 | C9 | H9 | 39.6° | 34.3° |
H101 | C10 | H102 | H103 | 114.1° | 120.0° |
H101 | C10 | N10 | C9 | 180.0° | 59.9° |
H101 | C10 | N10 | H10 | 54.7° | 173.7° |
H102 | C10 | N10 | C9 | 54.7° | 180.0° |
H102 | C10 | N10 | H10 | 70.5° | 66.2° |
H103 | C10 | N10 | C9 | 54.7° | 60.0° |
H103 | C10 | N10 | H10 | 180.0° | 53.8° |
N10 | C9 | C8 | C1 | 115.2° | 119.0° |
N10 | C9 | C8 | H9 | 126.0° | 122.0° |
N10 | C9 | C1 | H9 | 120.7° | 122.1° |
N10 | C9 | C8 | C7 | 59.6° | 43.7° |
N10 | C9 | C8 | C3 | 121.1° | 136.0° |
N10 | C9 | C1 | C2 | 127.0° | 145.2° |
N10 | C9 | C1 | H1C1 | 107.8° | 27.0° |
N10 | C9 | C1 | H1C2 | 1.7° | 96.5° |
H10 | N10 | C9 | C8 | 69.1° | 26.0° |
H10 | N10 | C9 | C1 | 44.2° | 89.9° |
H10 | N10 | C9 | H9 | 164.9° | 148.0° |
C8 | C9 | C1 | H9 | 118.8° | 118.9° |
C9 | C8 | C7 | C3 | 179.3° | 179.7° |
C9 | C8 | C7 | C6 | 178.3° | 179.9° |
C9 | C8 | C7 | H7 | 1.7° | 0.2° |
C9 | C8 | C3 | C4 | 176.5° | 180.0° |
C9 | C8 | C3 | C2 | 3.0° | 0.2° |
C8 | C9 | C1 | C2 | 6.4° | 26.3° |
C8 | C9 | C1 | H1C1 | 131.7° | 92.0° |
C8 | C9 | C1 | H1C2 | 118.9° | 144.5° |
C1 | C9 | C8 | C7 | 174.8° | 162.7° |
C1 | C9 | C8 | C3 | 5.9° | 17.0° |
C9 | C1 | C2 | C3 | 4.9° | 26.3° |
C9 | C1 | C2 | H1C1 | 125.3° | 118.2° |
C9 | C1 | C2 | H1C2 | 125.3° | 118.2° |
C9 | C1 | C2 | H2C1 | 120.4° | 145.2° |
C9 | C1 | C2 | H2C2 | 130.1° | 92.6° |
C9 | C1 | H1C1 | H1C2 | 118.8° | 123.5° |
H9 | C9 | C8 | C7 | 66.5° | 78.4° |
H9 | C9 | C8 | C3 | 112.9° | 101.9° |
H9 | C9 | C1 | C2 | 112.4° | 92.7° |
H9 | C9 | C1 | H1C1 | 12.9° | 149.1° |
H9 | C9 | C1 | H1C2 | 122.3° | 25.6° |
C8 | C7 | C6 | H7 | 180.0° | 179.9° |
C8 | C7 | C6 | C5 | 1.3° | 0.2° |
C8 | C7 | C6 | H6 | 178.7° | 179.9° |
C7 | C8 | C3 | C4 | 2.9° | 0.2° |
C7 | C8 | C3 | C2 | 177.6° | 179.9° |
C3 | C8 | C7 | C6 | 1.0° | 0.3° |
C3 | C8 | C7 | H7 | 179.0° | 179.8° |
C8 | C3 | C4 | C5 | 2.4° | 0.1° |
C8 | C3 | C4 | C2 | 179.4° | 179.8° |
C8 | C3 | C4 | H4 | 177.6° | 179.9° |
C8 | C3 | C2 | C1 | 1.3° | 17.3° |
C8 | C3 | C2 | H2C1 | 124.0° | 136.2° |
C8 | C3 | C2 | H2C2 | 126.6° | 101.6° |
C7 | C6 | C5 | H6 | 180.0° | 179.9° |
C7 | C6 | C5 | C4 | 1.8° | 0.0° |
C7 | C6 | C5 | H5 | 178.3° | 179.9° |
H7 | C7 | C6 | C5 | 178.7° | 179.9° |
H7 | C7 | C6 | H6 | 1.3° | 0.0° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 0.1° | 0.0° |
C6 | C5 | C4 | H4 | 179.9° | 180.0° |
H6 | C6 | C5 | C4 | 178.3° | 180.0° |
H6 | C6 | C5 | H5 | 1.7° | 0.0° |
C5 | C4 | C3 | H4 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 178.2° | 179.9° |
H5 | C5 | C4 | C3 | 179.9° | 180.0° |
H5 | C5 | C4 | H4 | 0.1° | 0.0° |
C4 | C3 | C2 | C1 | 179.2° | 162.9° |
C4 | C3 | C2 | H2C1 | 55.5° | 44.0° |
C4 | C3 | C2 | H2C2 | 54.0° | 78.2° |
H4 | C4 | C3 | C2 | 1.8° | 0.1° |
C3 | C2 | C1 | H2C1 | 125.3° | 118.9° |
C3 | C2 | C1 | H2C2 | 125.2° | 119.0° |
C3 | C2 | H2C1 | H2C2 | 120.4° | 122.1° |
C3 | C2 | C1 | H1C1 | 130.1° | 91.9° |
C3 | C2 | C1 | H1C2 | 120.4° | 144.6° |
C1 | C2 | H2C1 | H2C2 | 120.5° | 122.1° |
C2 | C1 | H1C1 | H1C2 | 118.8° | 123.6° |
H2C1 | C2 | C1 | H1C1 | 4.9° | 27.0° |
H2C1 | C2 | C1 | H1C2 | 114.3° | 96.5° |
H2C2 | C2 | C1 | H1C1 | 104.6° | 149.2° |
H2C2 | C2 | C1 | H1C2 | 4.8° | 25.6° |