LM0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C8 | sing | 1.51Å | 1.52Å | |
O2 | C8 | doub | 1.21Å | 1.22Å | |
C8 | N2 | sing | 1.35Å | 1.36Å | |
O1 | C2 | doub | 1.21Å | 1.23Å | |
N2 | C7 | sing | 1.47Å | 1.47Å | |
N2 | C3 | sing | 1.47Å | 1.47Å | |
C7 | C6 | sing | 1.51Å | 1.50Å | |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | N1 | sing | 1.35Å | 1.35Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
N1 | N | sing | 1.40Å | 1.39Å | |
N | C1 | sing | 1.35Å | 1.34Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
O | C1 | doub | 1.21Å | 1.23Å | |
C1 | C | sing | 1.51Å | 1.50Å | |
C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.51Å | 1.51Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C13 | H7 | sing | 1.08Å | 1.08Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
N | H12 | sing | 0.97Å | 1.00Å | |
C | H13 | sing | 1.09Å | 1.10Å | |
C | H14 | sing | 1.09Å | 1.10Å | |
C | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.08Å | 1.08Å | |
C12 | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | O2 | 120.3° | 120.0° |
C9 | C8 | N2 | 117.6° | 120.0° |
C8 | C9 | H8 | 109.5° | 109.5° |
C8 | C9 | H9 | 109.4° | 109.5° |
C8 | C9 | H10 | 109.5° | 109.5° |
O2 | C8 | N2 | 122.0° | 120.0° |
C8 | N2 | C7 | 120.5° | 121.3° |
C8 | N2 | C3 | 117.2° | 121.4° |
O1 | C2 | N1 | 123.5° | 120.0° |
O1 | C2 | C3 | 121.2° | 120.0° |
C7 | N2 | C3 | 122.2° | 117.3° |
N2 | C7 | C6 | 111.1° | 109.7° |
N2 | C7 | H4 | 109.1° | 109.5° |
N2 | C7 | H5 | 109.1° | 109.4° |
N2 | C3 | C2 | 114.7° | 109.8° |
N2 | C3 | C4 | 111.1° | 107.9° |
N2 | C3 | H11 | 107.1° | 109.7° |
C7 | C6 | C10 | 121.6° | 117.8° |
C7 | C6 | C5 | 118.6° | 122.3° |
C6 | C7 | H4 | 109.1° | 109.4° |
C6 | C7 | H5 | 109.1° | 109.4° |
C11 | C10 | C6 | 120.3° | 120.5° |
C10 | C11 | C12 | 120.1° | 119.7° |
C11 | C10 | H6 | 119.8° | 119.8° |
C10 | C11 | H16 | 120.0° | 120.2° |
C10 | C6 | C5 | 119.6° | 119.9° |
C6 | C10 | H6 | 119.9° | 119.7° |
N1 | C2 | C3 | 115.1° | 120.0° |
C2 | N1 | N | 121.3° | 120.0° |
C2 | N1 | H1 | 119.4° | 119.9° |
C2 | C3 | C4 | 110.6° | 109.7° |
C2 | C3 | H11 | 106.4° | 109.8° |
C11 | C12 | C13 | 120.3° | 119.8° |
C12 | C11 | H16 | 120.0° | 120.1° |
C11 | C12 | H17 | 119.9° | 120.1° |
C6 | C5 | C13 | 119.2° | 119.5° |
C6 | C5 | C4 | 118.1° | 122.9° |
N1 | N | C1 | 134.1° | 120.0° |
N | N1 | H1 | 119.3° | 120.0° |
N1 | N | H12 | 113.0° | 120.0° |
N | C1 | O | 122.2° | 120.0° |
N | C1 | C | 115.6° | 120.0° |
C1 | N | H12 | 112.9° | 120.0° |
C3 | C4 | C5 | 109.5° | 110.8° |
C3 | C4 | H2 | 109.5° | 109.2° |
C3 | C4 | H3 | 109.4° | 109.2° |
C4 | C3 | H11 | 106.4° | 109.8° |
O | C1 | C | 122.2° | 120.0° |
C1 | C | H13 | 109.5° | 109.5° |
C1 | C | H14 | 109.5° | 109.5° |
C1 | C | H15 | 109.5° | 109.5° |
C12 | C13 | C5 | 120.5° | 120.6° |
C12 | C13 | H7 | 119.8° | 119.7° |
C13 | C12 | H17 | 119.9° | 120.1° |
C13 | C5 | C4 | 122.6° | 117.6° |
C5 | C13 | H7 | 119.8° | 119.7° |
C5 | C4 | H2 | 109.5° | 109.2° |
C5 | C4 | H3 | 109.5° | 109.3° |
H2 | C4 | H3 | 109.5° | 109.2° |
H4 | C7 | H5 | 109.4° | 109.5° |
H8 | C9 | H9 | 109.5° | 109.4° |
H8 | C9 | H10 | 109.5° | 109.5° |
H9 | C9 | H10 | 109.5° | 109.5° |
H13 | C | H14 | 109.5° | 109.5° |
H13 | C | H15 | 109.4° | 109.5° |
H14 | C | H15 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | O2 | N2 | 177.3° | 180.0° |
C9 | C8 | N2 | C7 | 21.8° | 4.6° |
C9 | C8 | N2 | C3 | 156.1° | 175.4° |
C8 | C9 | H8 | H9 | 120.0° | 120.0° |
C8 | C9 | H8 | H10 | 120.0° | 120.0° |
C8 | C9 | H9 | H10 | 120.0° | 120.0° |
O2 | C8 | N2 | C7 | 160.8° | 175.4° |
O2 | C8 | N2 | C3 | 21.3° | 4.6° |
O2 | C8 | C9 | H8 | 0.0° | 174.5° |
O2 | C8 | C9 | H9 | 120.0° | 54.6° |
O2 | C8 | C9 | H10 | 120.0° | 65.5° |
C8 | N2 | C7 | C3 | 177.8° | 180.0° |
C8 | N2 | C7 | C6 | 152.4° | 135.6° |
C8 | N2 | C3 | C2 | 68.8° | 3.9° |
C8 | N2 | C3 | C4 | 164.8° | 115.7° |
C8 | N2 | C7 | H4 | 87.3° | 15.6° |
C8 | N2 | C7 | H5 | 32.2° | 104.4° |
N2 | C8 | C9 | H8 | 177.5° | 5.4° |
N2 | C8 | C9 | H9 | 62.5° | 125.4° |
N2 | C8 | C9 | H10 | 57.5° | 114.6° |
C8 | N2 | C3 | H11 | 49.0° | 124.7° |
O1 | C2 | C3 | N2 | 34.9° | 57.9° |
O1 | C2 | N1 | C3 | 174.9° | 179.9° |
O1 | C2 | N1 | N | 43.6° | 0.0° |
O1 | C2 | C3 | C4 | 91.7° | 60.6° |
O1 | C2 | N1 | H1 | 136.4° | 179.7° |
O1 | C2 | C3 | H11 | 153.2° | 178.7° |
N2 | C7 | C6 | H4 | 120.2° | 120.1° |
N2 | C7 | C6 | H5 | 120.2° | 120.0° |
N2 | C7 | C6 | C10 | 138.5° | 168.9° |
C7 | N2 | C3 | C2 | 113.3° | 176.1° |
N2 | C7 | C6 | C5 | 36.2° | 11.4° |
C7 | N2 | C3 | C4 | 13.1° | 64.3° |
N2 | C7 | H4 | H5 | 119.2° | 119.9° |
C7 | N2 | C3 | H11 | 128.8° | 55.3° |
C3 | N2 | C7 | C6 | 29.7° | 44.4° |
N2 | C3 | C2 | N1 | 140.1° | 122.0° |
N2 | C3 | C2 | C4 | 126.6° | 118.5° |
N2 | C3 | C2 | H11 | 118.2° | 120.8° |
N2 | C3 | C4 | H11 | 116.2° | 119.6° |
N2 | C3 | C4 | C5 | 49.9° | 47.5° |
N2 | C3 | C4 | H2 | 169.9° | 167.8° |
N2 | C3 | C4 | H3 | 70.1° | 72.9° |
C3 | N2 | C7 | H4 | 90.5° | 164.4° |
C3 | N2 | C7 | H5 | 150.0° | 75.6° |
C7 | C6 | C10 | C11 | 172.6° | 179.2° |
C7 | C6 | C10 | C5 | 174.6° | 179.7° |
C7 | C6 | C5 | C13 | 174.5° | 179.2° |
C7 | C6 | C5 | C4 | 1.6° | 1.3° |
C6 | C7 | H4 | H5 | 119.3° | 119.9° |
C7 | C6 | C10 | H6 | 7.4° | 0.7° |
C11 | C10 | C6 | H6 | 180.0° | 180.0° |
C10 | C11 | C12 | H16 | 180.0° | 180.0° |
C11 | C10 | C6 | C5 | 2.0° | 0.4° |
C10 | C11 | C12 | C13 | 0.3° | 0.2° |
C10 | C11 | C12 | H17 | 179.8° | 179.8° |
C6 | C10 | C11 | C12 | 2.0° | 0.1° |
C10 | C6 | C5 | C13 | 0.3° | 0.4° |
C10 | C6 | C5 | C4 | 176.4° | 179.1° |
C10 | C6 | C7 | H4 | 101.3° | 48.9° |
C10 | C6 | C7 | H5 | 18.3° | 71.1° |
C6 | C10 | C11 | H16 | 178.0° | 179.9° |
C2 | N1 | N | H1 | 180.0° | 179.8° |
C2 | N1 | N | C1 | 32.9° | 179.8° |
N1 | C2 | C3 | C4 | 93.3° | 119.5° |
N1 | C2 | C3 | H11 | 21.9° | 1.3° |
C2 | N1 | N | H12 | 147.1° | 0.2° |
C3 | C2 | N1 | N | 141.5° | 180.0° |
C2 | C3 | C4 | H11 | 115.2° | 120.8° |
C2 | C3 | C4 | C5 | 78.7° | 167.1° |
C3 | C2 | N1 | H1 | 38.5° | 0.2° |
C2 | C3 | C4 | H2 | 41.3° | 72.6° |
C2 | C3 | C4 | H3 | 161.2° | 46.8° |
C11 | C12 | C13 | H17 | 180.0° | 179.9° |
C11 | C12 | C13 | C5 | 1.5° | 0.3° |
C12 | C11 | C10 | H6 | 178.0° | 179.9° |
C11 | C12 | C13 | H7 | 178.5° | 179.8° |
C6 | C5 | C4 | C3 | 45.8° | 20.1° |
C6 | C5 | C13 | C12 | 1.4° | 0.1° |
C6 | C5 | C13 | C4 | 175.9° | 179.5° |
C6 | C5 | C4 | H2 | 165.9° | 140.4° |
C6 | C5 | C4 | H3 | 74.1° | 100.3° |
C5 | C6 | C7 | H4 | 84.1° | 131.5° |
C5 | C6 | C7 | H5 | 156.4° | 108.6° |
C5 | C6 | C10 | H6 | 178.0° | 179.6° |
C6 | C5 | C13 | H7 | 178.6° | 179.9° |
N1 | N | C1 | H12 | 180.0° | 180.0° |
N1 | N | C1 | O | 155.9° | 0.0° |
N1 | N | C1 | C | 23.3° | 180.0° |
N | C1 | O | C | 179.1° | 180.0° |
C1 | N | N1 | H1 | 147.1° | 0.0° |
N | C1 | C | H13 | 179.2° | 0.0° |
N | C1 | C | H14 | 60.8° | 120.0° |
N | C1 | C | H15 | 59.2° | 120.0° |
C3 | C4 | C5 | C13 | 130.1° | 160.4° |
C3 | C4 | C5 | H2 | 120.0° | 120.3° |
C3 | C4 | C5 | H3 | 120.0° | 120.3° |
C3 | C4 | H2 | H3 | 120.0° | 119.3° |
O | C1 | N | H12 | 24.2° | 180.0° |
O | C1 | C | H13 | 0.0° | 180.0° |
O | C1 | C | H14 | 120.0° | 60.0° |
O | C1 | C | H15 | 120.0° | 60.0° |
C | C1 | N | H12 | 156.7° | 0.0° |
C1 | C | H13 | H14 | 120.0° | 120.1° |
C1 | C | H13 | H15 | 120.0° | 120.0° |
C1 | C | H14 | H15 | 120.0° | 120.0° |
C12 | C13 | C5 | H7 | 180.0° | 179.9° |
C12 | C13 | C5 | C4 | 174.5° | 179.4° |
C13 | C12 | C11 | H16 | 179.8° | 179.8° |
C13 | C5 | C4 | H2 | 10.1° | 40.2° |
C13 | C5 | C4 | H3 | 109.9° | 79.2° |
C5 | C13 | C12 | H17 | 178.5° | 179.8° |
C5 | C4 | H2 | H3 | 120.0° | 119.4° |
C4 | C5 | C13 | H7 | 5.5° | 0.6° |
C5 | C4 | C3 | H11 | 166.1° | 72.1° |
H1 | N1 | N | H12 | 32.9° | 180.0° |
H2 | C4 | C3 | H11 | 73.9° | 48.2° |
H3 | C4 | C3 | H11 | 46.1° | 167.5° |
H6 | C10 | C11 | H16 | 2.0° | 0.1° |
H7 | C13 | C12 | H17 | 1.5° | 0.1° |
H8 | C9 | H9 | H10 | 120.0° | 120.0° |
H13 | C | H14 | H15 | 120.0° | 120.0° |
H16 | C11 | C12 | H17 | 0.2° | 0.1° |