M07
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C3 | sing | 1.43Å | 1.43Å | |
O4 | C4 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C2 | C1 | sing | 1.52Å | 1.55Å | |
O6 | C6 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C1 | O5 | sing | 1.42Å | 1.44Å | |
C1 | O7 | sing | 1.44Å | 1.44Å | |
C1 | C7 | sing | 1.54Å | 1.53Å | |
O7 | N1 | sing | 1.42Å | 1.43Å | |
C7 | C8 | sing | 1.52Å | 1.53Å | |
N1 | C8 | doub | 1.29Å | 1.33Å | |
C8 | C9 | sing | 1.47Å | 1.40Å | |
C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
C12 | O8 | sing | 1.36Å | 1.37Å | |
O8 | C15 | sing | 1.43Å | 1.44Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C15 | H153 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | C4 | 110.0° | 109.5° |
O3 | C3 | C2 | 109.3° | 109.6° |
O3 | C3 | H3 | 109.7° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.1° |
O4 | C4 | C3 | 110.4° | 109.6° |
O4 | C4 | C5 | 110.1° | 109.5° |
O4 | C4 | H4 | 109.0° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 111.0° | 109.0° |
C3 | C4 | C5 | 111.1° | 109.3° |
C3 | C4 | H4 | 108.0° | 109.4° |
C4 | C3 | H3 | 108.0° | 109.5° |
C3 | C2 | O2 | 109.7° | 109.5° |
C3 | C2 | C1 | 112.1° | 109.2° |
C2 | C3 | H3 | 108.7° | 109.6° |
C3 | C2 | H2 | 107.9° | 109.4° |
C4 | C5 | C6 | 113.2° | 109.5° |
C4 | C5 | O5 | 109.9° | 109.4° |
C4 | C5 | H5 | 105.9° | 109.5° |
C5 | C4 | H4 | 108.3° | 109.5° |
O2 | C2 | C1 | 110.5° | 109.6° |
O2 | C2 | H2 | 109.6° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.1° |
C2 | C1 | O5 | 110.3° | 111.3° |
C2 | C1 | O7 | 110.5° | 110.7° |
C2 | C1 | C7 | 111.4° | 110.4° |
C1 | C2 | H2 | 107.1° | 109.6° |
O6 | C6 | C5 | 109.4° | 109.5° |
O6 | C6 | H61 | 109.5° | 109.5° |
O6 | C6 | H62 | 109.5° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C6 | C5 | O5 | 107.4° | 109.5° |
C6 | C5 | H5 | 108.5° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | O5 | C1 | 113.9° | 114.2° |
O5 | C5 | H5 | 111.9° | 109.5° |
O5 | C1 | O7 | 110.4° | 111.0° |
O5 | C1 | C7 | 108.7° | 110.6° |
O7 | C1 | C7 | 105.3° | 102.5° |
C1 | O7 | N1 | 107.9° | 107.5° |
C1 | C7 | C8 | 103.5° | 102.5° |
C1 | C7 | H71 | 111.5° | 110.8° |
C1 | C7 | H72 | 112.8° | 111.0° |
O7 | N1 | C8 | 112.9° | 112.9° |
C7 | C8 | N1 | 107.9° | 108.2° |
C7 | C8 | C9 | 126.5° | 125.9° |
C8 | C7 | H71 | 111.5° | 110.8° |
C8 | C7 | H72 | 112.8° | 110.8° |
N1 | C8 | C9 | 125.5° | 125.9° |
C8 | C9 | C10 | 119.8° | 120.1° |
C8 | C9 | C14 | 120.7° | 120.1° |
C9 | C10 | C11 | 120.3° | 119.9° |
C10 | C9 | C14 | 119.5° | 119.8° |
C9 | C10 | H10 | 119.9° | 120.0° |
C10 | C11 | C12 | 120.5° | 120.1° |
C10 | C11 | H11 | 119.7° | 120.0° |
C11 | C10 | H10 | 119.8° | 120.1° |
C9 | C14 | C13 | 120.3° | 120.0° |
C9 | C14 | H14 | 119.9° | 120.0° |
C11 | C12 | C13 | 119.2° | 120.2° |
C11 | C12 | O8 | 118.7° | 119.9° |
C12 | C11 | H11 | 119.7° | 119.9° |
C14 | C13 | C12 | 120.2° | 120.1° |
C14 | C13 | H13 | 119.9° | 120.0° |
C13 | C14 | H14 | 119.9° | 120.0° |
C13 | C12 | O8 | 122.1° | 119.9° |
C12 | C13 | H13 | 119.9° | 120.0° |
C12 | O8 | C15 | 113.7° | 117.0° |
O8 | C15 | H151 | 109.5° | 109.4° |
O8 | C15 | H152 | 109.4° | 109.5° |
O8 | C15 | H153 | 109.5° | 109.5° |
H151 | C15 | H152 | 109.4° | 109.5° |
H151 | C15 | H153 | 109.5° | 109.5° |
H152 | C15 | H153 | 109.5° | 109.5° |
H71 | C7 | H72 | 105.0° | 110.7° |
H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | C4 | O4 | 65.7° | 62.6° |
O3 | C3 | C4 | C2 | 121.1° | 119.9° |
O3 | C3 | C4 | H3 | 119.7° | 120.2° |
O3 | C3 | C2 | H3 | 119.8° | 120.3° |
O3 | C3 | C4 | C5 | 171.9° | 177.4° |
O3 | C3 | C2 | O2 | 66.0° | 64.4° |
O3 | C3 | C2 | C1 | 171.0° | 175.6° |
O3 | C3 | C4 | H4 | 53.3° | 57.6° |
O3 | C3 | C2 | H2 | 53.3° | 55.7° |
O4 | C4 | C3 | C5 | 122.4° | 120.0° |
O4 | C4 | C3 | H4 | 119.0° | 120.2° |
O4 | C4 | C3 | C2 | 173.1° | 177.5° |
O4 | C4 | C5 | H4 | 119.0° | 120.1° |
O4 | C4 | C5 | C6 | 61.8° | 61.9° |
O4 | C4 | C5 | O5 | 178.1° | 178.2° |
O4 | C4 | C5 | H5 | 57.0° | 58.2° |
O4 | C4 | C3 | H3 | 54.0° | 57.6° |
C4 | C3 | C2 | H3 | 118.6° | 119.8° |
C3 | C4 | C5 | H4 | 118.4° | 119.8° |
C4 | C3 | C2 | O2 | 172.5° | 175.8° |
C4 | C3 | C2 | C1 | 49.4° | 55.8° |
C3 | C4 | C5 | C6 | 175.7° | 178.1° |
C3 | C4 | C5 | O5 | 55.5° | 58.1° |
C3 | C4 | C5 | H5 | 65.6° | 61.8° |
C3 | C4 | O4 | HO4 | 108.5° | 179.9° |
C4 | C3 | O3 | HO3 | 82.6° | 60.0° |
C4 | C3 | C2 | H2 | 68.2° | 64.2° |
C2 | C3 | C4 | C5 | 50.7° | 57.5° |
C3 | C2 | O2 | C1 | 124.0° | 119.8° |
C3 | C2 | O2 | H2 | 118.2° | 120.0° |
C3 | C2 | C1 | H2 | 118.1° | 119.9° |
C3 | C2 | C1 | O5 | 52.5° | 55.7° |
C3 | C2 | C1 | O7 | 69.9° | 68.3° |
C3 | C2 | C1 | C7 | 173.3° | 178.9° |
C2 | C3 | C4 | H4 | 67.9° | 62.3° |
C2 | C3 | O3 | HO3 | 155.3° | 179.5° |
C3 | C2 | O2 | HO2 | 125.2° | 60.0° |
C4 | C5 | C6 | O6 | 50.8° | 175.1° |
C4 | C5 | C6 | O5 | 121.5° | 119.9° |
C4 | C5 | C6 | H5 | 117.3° | 120.1° |
C4 | C5 | O5 | H5 | 117.4° | 120.0° |
C4 | C5 | O5 | C1 | 61.1° | 59.7° |
C4 | C5 | C6 | H61 | 69.2° | 55.1° |
C4 | C5 | C6 | H62 | 170.8° | 64.9° |
C5 | C4 | O4 | HO4 | 14.4° | 60.1° |
C5 | C4 | C3 | H3 | 68.4° | 62.3° |
O2 | C2 | C1 | H2 | 119.3° | 120.2° |
O2 | C2 | C1 | O5 | 175.1° | 175.6° |
O2 | C2 | C1 | O7 | 52.8° | 51.6° |
O2 | C2 | C1 | C7 | 64.0° | 61.1° |
O2 | C2 | C3 | H3 | 53.8° | 56.0° |
C2 | C1 | O5 | C5 | 59.4° | 59.0° |
C2 | C1 | O5 | O7 | 122.5° | 123.9° |
C2 | C1 | O5 | C7 | 122.5° | 123.1° |
C2 | C1 | O7 | C7 | 120.5° | 117.7° |
C2 | C1 | O7 | N1 | 135.7° | 93.1° |
C2 | C1 | C7 | C8 | 134.8° | 94.3° |
C2 | C1 | C7 | H71 | 105.2° | 23.9° |
C2 | C1 | C7 | H72 | 12.6° | 147.3° |
C1 | C2 | C3 | H3 | 69.3° | 64.0° |
C1 | C2 | O2 | HO2 | 1.2° | 179.8° |
O6 | C6 | C5 | H61 | 120.0° | 120.0° |
O6 | C6 | C5 | H62 | 120.0° | 120.0° |
O6 | C6 | C5 | O5 | 70.7° | 65.0° |
O6 | C6 | C5 | H5 | 168.1° | 55.0° |
O6 | C6 | H61 | H62 | 120.0° | 120.0° |
C6 | C5 | O5 | H5 | 119.0° | 120.0° |
C6 | C5 | O5 | C1 | 175.3° | 179.7° |
C5 | C6 | H61 | H62 | 120.1° | 120.0° |
C5 | C6 | O6 | HO6 | 78.5° | 180.0° |
C6 | C5 | C4 | H4 | 57.3° | 58.2° |
C5 | O5 | C1 | O7 | 63.1° | 64.8° |
C5 | O5 | C1 | C7 | 178.1° | 177.8° |
O5 | C5 | C6 | H61 | 169.3° | 175.0° |
O5 | C5 | C6 | H62 | 49.3° | 55.0° |
O5 | C5 | C4 | H4 | 62.9° | 61.7° |
O5 | C1 | O7 | C7 | 117.2° | 118.1° |
O5 | C1 | O7 | N1 | 102.0° | 142.7° |
O5 | C1 | C7 | C8 | 103.5° | 142.0° |
O5 | C1 | C7 | H71 | 16.5° | 99.8° |
O5 | C1 | C7 | H72 | 134.4° | 23.7° |
C1 | O5 | C5 | H5 | 56.3° | 60.2° |
O5 | C1 | C2 | H2 | 65.6° | 64.2° |
O7 | C1 | C7 | C8 | 14.8° | 23.6° |
C1 | O7 | N1 | C8 | 9.8° | 16.7° |
O7 | C1 | C7 | H71 | 134.8° | 141.9° |
O7 | C1 | C7 | H72 | 107.3° | 94.7° |
O7 | C1 | C2 | H2 | 172.1° | 171.8° |
C7 | C1 | O7 | N1 | 15.2° | 24.6° |
C1 | C7 | C8 | H71 | 120.0° | 118.3° |
C1 | C7 | C8 | H72 | 122.2° | 118.4° |
C1 | C7 | C8 | N1 | 9.5° | 15.0° |
C1 | C7 | C8 | C9 | 173.2° | 165.2° |
C1 | C7 | H71 | H72 | 122.4° | 123.6° |
C7 | C1 | C2 | H2 | 55.3° | 59.1° |
O7 | N1 | C8 | C7 | 0.3° | 0.1° |
O7 | N1 | C8 | C9 | 177.7° | 179.7° |
C7 | C8 | N1 | C9 | 177.4° | 179.8° |
C7 | C8 | C9 | C10 | 7.9° | 179.9° |
C7 | C8 | C9 | C14 | 174.0° | 0.3° |
C8 | C7 | H71 | H72 | 122.4° | 123.3° |
N1 | C8 | C9 | C10 | 169.0° | 0.3° |
N1 | C8 | C9 | C14 | 9.1° | 179.5° |
N1 | C8 | C7 | H71 | 129.5° | 133.3° |
N1 | C8 | C7 | H72 | 112.7° | 103.4° |
C8 | C9 | C10 | C14 | 178.2° | 179.8° |
C8 | C9 | C10 | C11 | 178.9° | 180.0° |
C8 | C9 | C14 | C13 | 178.6° | 179.8° |
C8 | C9 | C10 | H10 | 1.1° | 0.0° |
C8 | C9 | C14 | H14 | 1.4° | 0.3° |
C9 | C8 | C7 | H71 | 53.2° | 46.9° |
C9 | C8 | C7 | H72 | 64.6° | 76.4° |
C9 | C10 | C11 | H10 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 0.4° | 0.0° |
C10 | C9 | C14 | C13 | 0.5° | 0.4° |
C9 | C10 | C11 | H11 | 179.6° | 180.0° |
C10 | C9 | C14 | H14 | 179.5° | 179.9° |
C11 | C10 | C9 | C14 | 0.7° | 0.2° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 0.0° | 0.1° |
C10 | C11 | C12 | O8 | 180.0° | 179.7° |
C9 | C14 | C13 | H14 | 180.0° | 179.5° |
C9 | C14 | C13 | C12 | 0.0° | 0.4° |
C14 | C9 | C10 | H10 | 179.3° | 179.8° |
C9 | C14 | C13 | H13 | 180.0° | 179.6° |
C11 | C12 | C13 | C14 | 0.2° | 0.3° |
C11 | C12 | C13 | O8 | 180.0° | 179.7° |
C11 | C12 | O8 | C15 | 179.0° | 0.3° |
C12 | C11 | C10 | H10 | 179.5° | 179.9° |
C11 | C12 | C13 | H13 | 179.8° | 179.7° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | O8 | 179.8° | 179.9° |
C13 | C12 | O8 | C15 | 1.0° | 180.0° |
C13 | C12 | C11 | H11 | 180.0° | 180.0° |
C12 | C13 | C14 | H14 | 180.0° | 180.0° |
C12 | O8 | C15 | H151 | 167.0° | 60.0° |
C12 | O8 | C15 | H152 | 73.1° | 180.0° |
C12 | O8 | C15 | H153 | 46.9° | 60.0° |
O8 | C12 | C11 | H11 | 0.0° | 0.3° |
O8 | C12 | C13 | H13 | 0.2° | 0.1° |
O8 | C15 | H151 | H152 | 120.0° | 120.0° |
O8 | C15 | H151 | H153 | 120.0° | 120.0° |
O8 | C15 | H152 | H153 | 120.0° | 120.1° |
H151 | C15 | H152 | H153 | 120.0° | 120.0° |
H11 | C11 | C10 | H10 | 0.5° | 0.0° |
H13 | C13 | C14 | H14 | 0.0° | 0.0° |
H5 | C5 | C6 | H61 | 48.1° | 65.0° |
H5 | C5 | C6 | H62 | 71.9° | 175.1° |
H5 | C5 | C4 | H4 | 176.0° | 178.3° |
H61 | C6 | O6 | HO6 | 41.6° | 60.0° |
H62 | C6 | O6 | HO6 | 161.5° | 60.0° |
H4 | C4 | O4 | HO4 | 133.1° | 60.0° |
H4 | C4 | C3 | H3 | 173.0° | 177.8° |
H3 | C3 | O3 | HO3 | 36.1° | 60.2° |
H3 | C3 | C2 | H2 | 173.1° | 176.0° |
H2 | C2 | O2 | HO2 | 116.6° | 60.0° |