LM7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C5 | sing | 1.36Å | 1.33Å | |
C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.47Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
O3 | N2 | sing | 1.22Å | 1.39Å | |
C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
C6 | N2 | sing | 1.48Å | 1.45Å | |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
N2 | O4 | doub | 1.22Å | 1.25Å | |
O1 | C1 | doub | 1.22Å | 1.26Å | |
C7 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
C2 | N1 | sing | 1.40Å | 1.40Å | |
C1 | N1 | sing | 1.34Å | 1.40Å | |
C1 | N | sing | 1.34Å | 1.35Å | |
N1 | C8 | sing | 1.39Å | 1.46Å | |
N | C | sing | 1.35Å | 1.34Å | |
C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
C8 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
C | C13 | sing | 1.47Å | 1.48Å | |
C | O | doub | 1.22Å | 1.26Å | |
C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
O2 | H1 | sing | 0.97Å | 0.95Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
N | H5 | sing | 0.97Å | 1.00Å | |
C12 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C5 | C4 | 118.1° | 120.0° |
O2 | C5 | C6 | 123.3° | 119.9° |
C5 | O2 | H1 | 109.5° | 114.0° |
C4 | C5 | C6 | 118.4° | 120.1° |
C5 | C4 | C3 | 124.0° | 120.0° |
C5 | C4 | H2 | 118.1° | 120.0° |
C5 | C6 | N2 | 123.5° | 120.0° |
C5 | C6 | C7 | 115.8° | 120.0° |
C4 | C3 | C2 | 118.6° | 120.0° |
C3 | C4 | H2 | 118.0° | 120.0° |
C4 | C3 | H3 | 120.7° | 120.0° |
O3 | N2 | C6 | 122.9° | 120.0° |
O3 | N2 | O4 | 122.4° | 120.0° |
C3 | C2 | C7 | 118.6° | 120.0° |
C3 | C2 | N1 | 124.5° | 120.0° |
C2 | C3 | H3 | 120.7° | 120.0° |
N2 | C6 | C7 | 120.7° | 120.0° |
C6 | N2 | O4 | 114.6° | 120.0° |
C6 | C7 | C2 | 124.4° | 120.0° |
C6 | C7 | H4 | 117.8° | 120.0° |
O1 | C1 | N1 | 120.7° | 118.6° |
O1 | C1 | N | 117.5° | 118.6° |
C7 | C2 | N1 | 116.8° | 120.0° |
C2 | C7 | H4 | 117.8° | 120.0° |
C2 | N1 | C1 | 121.1° | 119.7° |
C2 | N1 | C8 | 116.0° | 119.7° |
N1 | C1 | N | 121.8° | 122.8° |
C1 | N1 | C8 | 122.9° | 120.6° |
C1 | N | C | 119.2° | 121.3° |
C1 | N | H5 | 120.4° | 119.4° |
N1 | C8 | C9 | 123.3° | 121.6° |
N1 | C8 | C13 | 114.7° | 118.7° |
N | C | C13 | 123.9° | 118.3° |
N | C | O | 116.5° | 120.9° |
C | N | H5 | 120.4° | 119.3° |
C9 | C8 | C13 | 122.0° | 119.7° |
C8 | C9 | C10 | 121.9° | 119.7° |
C8 | C9 | H9 | 119.1° | 120.1° |
C8 | C13 | C | 117.3° | 118.2° |
C8 | C13 | C12 | 115.4° | 120.0° |
C9 | C10 | C11 | 115.0° | 120.7° |
C9 | C10 | H8 | 122.5° | 119.7° |
C10 | C9 | H9 | 119.1° | 120.2° |
C13 | C | O | 119.6° | 120.8° |
C | C13 | C12 | 127.3° | 121.7° |
C13 | C12 | C11 | 119.6° | 119.5° |
C13 | C12 | H6 | 120.2° | 120.2° |
C10 | C11 | C12 | 126.2° | 120.4° |
C10 | C11 | H7 | 116.9° | 119.8° |
C11 | C10 | H8 | 122.5° | 119.7° |
C11 | C12 | H6 | 120.2° | 120.3° |
C12 | C11 | H7 | 116.9° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C5 | C4 | C6 | 175.8° | 180.0° |
O2 | C5 | C4 | C3 | 179.1° | 180.0° |
O2 | C5 | C6 | N2 | 2.5° | 0.0° |
O2 | C5 | C6 | C7 | 178.9° | 179.7° |
O2 | C5 | C4 | H2 | 0.9° | 0.1° |
C5 | C4 | C3 | H2 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 5.6° | 0.0° |
C4 | C5 | C6 | N2 | 178.1° | 179.9° |
C4 | C5 | C6 | C7 | 3.3° | 0.3° |
C4 | C5 | O2 | H1 | 171.8° | 90.0° |
C5 | C4 | C3 | H3 | 174.4° | 179.9° |
C6 | C5 | C4 | C3 | 5.2° | 0.0° |
C5 | C6 | N2 | O3 | 14.5° | 0.0° |
C5 | C6 | N2 | C7 | 178.5° | 179.6° |
C5 | C6 | N2 | O4 | 163.5° | 179.7° |
C5 | C6 | C7 | C2 | 2.4° | 0.6° |
C6 | C5 | O2 | H1 | 3.7° | 90.1° |
C6 | C5 | C4 | H2 | 174.8° | 180.0° |
C5 | C6 | C7 | H4 | 177.6° | 179.8° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | C7 | 4.2° | 0.3° |
C4 | C3 | C2 | N1 | 179.4° | 180.0° |
O3 | N2 | C6 | O4 | 178.1° | 179.8° |
O3 | N2 | C6 | C7 | 166.9° | 179.7° |
C3 | C2 | C7 | C6 | 2.9° | 0.6° |
C3 | C2 | C7 | N1 | 176.7° | 179.7° |
C3 | C2 | N1 | C1 | 80.2° | 90.0° |
C3 | C2 | N1 | C8 | 102.3° | 90.2° |
C2 | C3 | C4 | H2 | 174.4° | 180.0° |
C3 | C2 | C7 | H4 | 177.1° | 179.8° |
N2 | C6 | C7 | C2 | 178.9° | 179.8° |
N2 | C6 | C7 | H4 | 1.0° | 0.1° |
C7 | C6 | N2 | O4 | 15.0° | 0.1° |
C6 | C7 | C2 | H4 | 180.0° | 179.6° |
C6 | C7 | C2 | N1 | 179.6° | 179.7° |
O1 | C1 | N1 | C2 | 1.5° | 0.0° |
O1 | C1 | N1 | N | 178.9° | 180.0° |
O1 | C1 | N1 | C8 | 178.8° | 179.7° |
O1 | C1 | N | C | 176.0° | 180.0° |
O1 | C1 | N | H5 | 3.9° | 0.0° |
C7 | C2 | N1 | C1 | 96.2° | 89.7° |
C7 | C2 | N1 | C8 | 81.2° | 90.0° |
C7 | C2 | C3 | H3 | 175.8° | 179.8° |
C2 | N1 | C1 | C8 | 177.3° | 179.7° |
C2 | N1 | C1 | N | 177.3° | 180.0° |
C2 | N1 | C8 | C9 | 2.2° | 0.0° |
C2 | N1 | C8 | C13 | 176.0° | 179.9° |
N1 | C2 | C3 | H3 | 0.6° | 0.0° |
N1 | C2 | C7 | H4 | 0.5° | 0.0° |
N1 | C1 | N | C | 2.9° | 0.0° |
C1 | N1 | C8 | C9 | 179.6° | 179.8° |
C1 | N1 | C8 | C13 | 1.4° | 0.2° |
N1 | C1 | N | H5 | 177.2° | 179.9° |
N | C1 | N1 | C8 | 0.1° | 0.2° |
C1 | N | C | H5 | 180.0° | 180.0° |
C1 | N | C | C13 | 4.2° | 0.3° |
C1 | N | C | O | 177.9° | 180.0° |
N1 | C8 | C9 | C13 | 178.1° | 180.0° |
N1 | C8 | C9 | C10 | 179.3° | 180.0° |
N1 | C8 | C13 | C | 0.2° | 0.1° |
N1 | C8 | C13 | C12 | 177.7° | 180.0° |
N1 | C8 | C9 | H9 | 0.7° | 0.1° |
N | C | C13 | C8 | 2.7° | 0.3° |
N | C | C13 | O | 177.8° | 179.7° |
N | C | C13 | C12 | 179.7° | 179.8° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C9 | C8 | C13 | C | 178.4° | 180.0° |
C9 | C8 | C13 | C12 | 0.5° | 0.1° |
C8 | C9 | C10 | C11 | 0.9° | 0.0° |
C8 | C9 | C10 | H8 | 179.1° | 179.9° |
C13 | C8 | C9 | C10 | 1.1° | 0.0° |
C8 | C13 | C | C12 | 177.6° | 179.9° |
C8 | C13 | C | O | 179.5° | 180.0° |
C8 | C13 | C12 | C11 | 2.3° | 0.0° |
C8 | C13 | C12 | H6 | 177.7° | 179.9° |
C13 | C8 | C9 | H9 | 178.8° | 179.9° |
C9 | C10 | C11 | H8 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 1.0° | 0.0° |
C9 | C10 | C11 | H7 | 179.0° | 180.0° |
C | C13 | C12 | C11 | 180.0° | 179.9° |
C13 | C | N | H5 | 175.8° | 179.7° |
C | C13 | C12 | H6 | 0.0° | 0.0° |
O | C | C13 | C12 | 1.9° | 0.1° |
O | C | N | H5 | 2.1° | 0.1° |
C13 | C12 | C11 | C10 | 2.7° | 0.0° |
C13 | C12 | C11 | H6 | 180.0° | 180.0° |
C13 | C12 | C11 | H7 | 177.3° | 180.0° |
C10 | C11 | C12 | H7 | 180.0° | 179.9° |
C10 | C11 | C12 | H6 | 177.3° | 180.0° |
C11 | C10 | C9 | H9 | 179.0° | 180.0° |
C12 | C11 | C10 | H8 | 179.0° | 180.0° |
H2 | C4 | C3 | H3 | 5.6° | 0.0° |
H6 | C12 | C11 | H7 | 2.8° | 0.1° |
H7 | C11 | C10 | H8 | 1.0° | 0.1° |
H8 | C10 | C9 | H9 | 1.0° | 0.1° |