SLY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | O | sing | 1.36Å | 1.39Å | |
C6 | O | sing | 1.36Å | 1.38Å | |
C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | C | sing | 1.51Å | 1.53Å | |
C | N | sing | 1.47Å | 1.49Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
N | H5 | sing | 1.01Å | 1.00Å | |
N | H6 | sing | 1.01Å | 1.00Å | |
C | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.08Å | 1.08Å | |
C2 | H12 | sing | 1.08Å | 1.08Å | |
C3 | H13 | sing | 1.08Å | 1.08Å | |
C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C10 | C11 | 120.5° | 120.1° |
C10 | C9 | C8 | 120.6° | 120.0° |
C9 | C10 | H4 | 119.7° | 119.9° |
C10 | C9 | H14 | 119.7° | 120.0° |
C10 | C11 | C12 | 120.5° | 120.1° |
C11 | C10 | H4 | 119.7° | 119.9° |
C10 | C11 | H10 | 119.7° | 120.0° |
C9 | C8 | C7 | 117.9° | 119.9° |
C9 | C8 | H3 | 121.1° | 120.0° |
C8 | C9 | H14 | 119.7° | 119.9° |
C11 | C12 | C7 | 118.5° | 119.9° |
C12 | C11 | H10 | 119.7° | 119.9° |
C11 | C12 | H11 | 120.8° | 120.0° |
C8 | C7 | C12 | 122.0° | 119.9° |
C8 | C7 | O | 120.4° | 120.0° |
C7 | C8 | H3 | 121.1° | 120.1° |
C4 | C5 | C6 | 118.2° | 119.9° |
C5 | C4 | C3 | 119.9° | 120.0° |
C5 | C4 | H1 | 120.1° | 120.0° |
C4 | C5 | H2 | 120.9° | 120.0° |
C5 | C6 | O | 118.8° | 120.1° |
C5 | C6 | C1 | 123.4° | 119.9° |
C6 | C5 | H2 | 120.9° | 120.1° |
C4 | C3 | C2 | 121.4° | 120.1° |
C3 | C4 | H1 | 120.0° | 120.0° |
C4 | C3 | H13 | 119.3° | 120.0° |
C12 | C7 | O | 117.6° | 120.1° |
C7 | C12 | H11 | 120.8° | 120.0° |
C7 | O | C6 | 122.2° | 118.0° |
O | C6 | C1 | 117.8° | 120.0° |
C6 | C1 | C2 | 116.8° | 119.9° |
C6 | C1 | C | 122.4° | 120.0° |
C3 | C2 | C1 | 120.2° | 120.1° |
C3 | C2 | H12 | 119.9° | 120.0° |
C2 | C3 | H13 | 119.3° | 119.9° |
C2 | C1 | C | 120.7° | 120.0° |
C1 | C2 | H12 | 119.9° | 120.0° |
C1 | C | N | 114.8° | 109.5° |
C1 | C | H8 | 108.1° | 109.4° |
C1 | C | H9 | 108.1° | 109.4° |
C | N | H5 | 109.5° | 111.0° |
C | N | H6 | 109.4° | 111.0° |
N | C | H8 | 108.1° | 109.5° |
N | C | H9 | 108.1° | 109.5° |
H5 | N | H6 | 109.5° | 111.0° |
H8 | C | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C10 | C11 | H4 | 180.0° | 179.8° |
C10 | C9 | C8 | H14 | 180.0° | 179.7° |
C9 | C10 | C11 | C12 | 0.2° | 0.3° |
C10 | C9 | C8 | C7 | 0.4° | 0.0° |
C10 | C9 | C8 | H3 | 179.6° | 179.9° |
C9 | C10 | C11 | H10 | 179.8° | 180.0° |
C11 | C10 | C9 | C8 | 0.4° | 0.3° |
C10 | C11 | C12 | H10 | 180.0° | 179.7° |
C10 | C11 | C12 | C7 | 0.1° | 0.0° |
C10 | C11 | C12 | H11 | 179.9° | 180.0° |
C11 | C10 | C9 | H14 | 179.5° | 180.0° |
C9 | C8 | C7 | H3 | 180.0° | 179.9° |
C9 | C8 | C7 | C12 | 0.2° | 0.2° |
C9 | C8 | C7 | O | 179.8° | 180.0° |
C8 | C9 | C10 | H4 | 179.6° | 180.0° |
C11 | C12 | C7 | C8 | 0.1° | 0.2° |
C11 | C12 | C7 | H11 | 180.0° | 180.0° |
C11 | C12 | C7 | O | 179.6° | 180.0° |
C12 | C11 | C10 | H4 | 179.8° | 180.0° |
C8 | C7 | C12 | O | 179.7° | 179.7° |
C8 | C7 | O | C6 | 12.7° | 90.3° |
C8 | C7 | C12 | H11 | 179.9° | 179.7° |
C7 | C8 | C9 | H14 | 179.6° | 179.7° |
C4 | C5 | C6 | H2 | 180.0° | 179.9° |
C5 | C4 | C3 | H1 | 180.0° | 179.7° |
C4 | C5 | C6 | O | 177.6° | 180.0° |
C4 | C5 | C6 | C1 | 0.3° | 0.0° |
C5 | C4 | C3 | C2 | 0.4° | 0.0° |
C5 | C4 | C3 | H13 | 179.6° | 179.7° |
C6 | C5 | C4 | C3 | 0.3° | 0.0° |
C5 | C6 | O | C7 | 55.2° | 0.4° |
C5 | C6 | O | C1 | 178.1° | 180.0° |
C5 | C6 | C1 | C2 | 0.9° | 0.1° |
C5 | C6 | C1 | C | 176.9° | 180.0° |
C6 | C5 | C4 | H1 | 179.7° | 179.7° |
C4 | C3 | C2 | H13 | 180.0° | 179.8° |
C4 | C3 | C2 | C1 | 0.2° | 0.0° |
C3 | C4 | C5 | H2 | 179.6° | 180.0° |
C4 | C3 | C2 | H12 | 179.7° | 179.9° |
C12 | C7 | O | C6 | 167.6° | 90.0° |
C12 | C7 | C8 | H3 | 179.8° | 179.7° |
C7 | C12 | C11 | H10 | 179.9° | 179.8° |
C7 | O | C6 | C1 | 126.7° | 179.6° |
O | C7 | C8 | H3 | 0.2° | 0.0° |
O | C7 | C12 | H11 | 0.4° | 0.0° |
O | C6 | C1 | C2 | 177.0° | 180.0° |
O | C6 | C1 | C | 5.1° | 0.1° |
O | C6 | C5 | H2 | 2.3° | 0.1° |
C6 | C1 | C2 | C3 | 0.9° | 0.1° |
C6 | C1 | C2 | C | 177.9° | 179.9° |
C6 | C1 | C | N | 47.4° | 80.0° |
C1 | C6 | C5 | H2 | 179.7° | 179.9° |
C6 | C1 | C | H8 | 168.2° | 40.0° |
C6 | C1 | C | H9 | 73.3° | 160.0° |
C6 | C1 | C2 | H12 | 179.1° | 180.0° |
C3 | C2 | C1 | H12 | 180.0° | 179.9° |
C3 | C2 | C1 | C | 177.0° | 180.0° |
C2 | C3 | C4 | H1 | 179.6° | 179.7° |
C2 | C1 | C | N | 134.8° | 99.9° |
C2 | C1 | C | H8 | 14.0° | 140.1° |
C2 | C1 | C | H9 | 104.4° | 20.1° |
C1 | C2 | C3 | H13 | 179.7° | 179.8° |
C1 | C | N | H8 | 120.8° | 120.0° |
C1 | C | N | H9 | 120.8° | 120.0° |
C1 | C | N | H5 | 180.0° | 56.0° |
C1 | C | N | H6 | 60.0° | 180.0° |
C1 | C | H8 | H9 | 117.6° | 120.0° |
C | C1 | C2 | H12 | 3.0° | 0.1° |
C | N | H5 | H6 | 120.0° | 124.0° |
N | C | H8 | H9 | 117.6° | 120.0° |
H1 | C4 | C5 | H2 | 0.4° | 0.4° |
H1 | C4 | C3 | H13 | 0.4° | 0.1° |
H3 | C8 | C9 | H14 | 0.5° | 0.3° |
H4 | C10 | C11 | H10 | 0.2° | 0.2° |
H4 | C10 | C9 | H14 | 0.5° | 0.2° |
H5 | N | C | H8 | 59.2° | 176.0° |
H5 | N | C | H9 | 59.2° | 64.0° |
H6 | N | C | H8 | 179.2° | 60.0° |
H6 | N | C | H9 | 60.8° | 60.0° |
H10 | C11 | C12 | H11 | 0.1° | 0.3° |
H12 | C2 | C3 | H13 | 0.3° | 0.3° |