BM7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O7 | C7 | doub | 1.21Å | 1.21Å | |
C8 | C7 | sing | 1.51Å | 1.50Å | |
O1 | C1 | sing | 1.43Å | 1.42Å | |
C7 | N2 | sing | 1.35Å | 1.34Å | |
C2 | C1 | sing | 1.53Å | 1.56Å | |
C2 | N2 | sing | 1.47Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5 | C4 | sing | 1.53Å | 1.56Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
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 |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O7 | C7 | C8 | 119.7° | 120.0° |
O7 | C7 | N2 | 124.2° | 119.9° |
C8 | C7 | N2 | 115.5° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.4° |
C7 | C8 | H82 | 109.5° | 109.5° |
C7 | C8 | H83 | 109.5° | 109.5° |
O1 | C1 | C2 | 111.1° | 109.5° |
O1 | C1 | O5 | 109.5° | 109.4° |
O1 | C1 | H1 | 105.8° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C7 | N2 | C2 | 125.0° | 120.0° |
C7 | N2 | HN2 | 117.5° | 119.9° |
C1 | C2 | N2 | 124.5° | 109.5° |
C1 | C2 | C3 | 108.8° | 109.2° |
C2 | C1 | O5 | 119.5° | 109.4° |
C2 | C1 | H1 | 104.2° | 109.5° |
C1 | C2 | H2 | 103.9° | 109.5° |
N2 | C2 | C3 | 108.6° | 109.5° |
N2 | C2 | H2 | 104.8° | 109.5° |
C2 | N2 | HN2 | 117.5° | 120.0° |
C2 | C3 | O3 | 111.9° | 109.5° |
C2 | C3 | C4 | 114.5° | 109.0° |
C3 | C2 | H2 | 104.2° | 109.6° |
C2 | C3 | H3 | 105.1° | 109.5° |
C1 | O5 | C5 | 110.9° | 114.0° |
O5 | C1 | H1 | 105.4° | 109.5° |
O3 | C3 | C4 | 113.1° | 109.5° |
O3 | C3 | H3 | 106.2° | 109.6° |
C3 | O3 | HO3 | 109.5° | 113.9° |
C3 | C4 | C5 | 111.8° | 109.1° |
C3 | C4 | O4 | 109.2° | 109.5° |
C4 | C3 | H3 | 105.0° | 109.6° |
C3 | C4 | H4 | 107.2° | 109.5° |
O5 | C5 | C4 | 110.5° | 109.4° |
O5 | C5 | C6 | 115.1° | 109.4° |
O5 | C5 | H5 | 107.7° | 109.5° |
C4 | C5 | C6 | 110.2° | 109.4° |
C5 | C4 | O4 | 112.8° | 109.5° |
C5 | C4 | H4 | 107.0° | 109.6° |
C4 | C5 | H5 | 106.3° | 109.5° |
C5 | C6 | O6 | 116.5° | 109.5° |
C6 | C5 | H5 | 106.6° | 109.6° |
C5 | C6 | H61 | 107.7° | 109.4° |
C5 | C6 | H62 | 107.7° | 109.6° |
O4 | C4 | H4 | 108.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O6 | C6 | H61 | 107.7° | 109.4° |
O6 | C6 | H62 | 107.7° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.1° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.5° | 109.5° |
H82 | C8 | H83 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O7 | C7 | C8 | N2 | 172.3° | 179.9° |
O7 | C7 | N2 | C2 | 25.7° | 0.1° |
O7 | C7 | N2 | HN2 | 154.3° | 179.9° |
O7 | C7 | C8 | H81 | 0.0° | 180.0° |
O7 | C7 | C8 | H82 | 120.0° | 59.9° |
O7 | C7 | C8 | H83 | 120.0° | 60.1° |
C8 | C7 | N2 | C2 | 146.3° | 180.0° |
C8 | C7 | N2 | HN2 | 33.8° | 0.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 120.0° |
O1 | C1 | C2 | O5 | 129.1° | 119.9° |
O1 | C1 | C2 | H1 | 113.5° | 120.0° |
O1 | C1 | C2 | N2 | 42.9° | 57.7° |
O1 | C1 | C2 | C3 | 173.0° | 177.6° |
O1 | C1 | O5 | H1 | 113.4° | 120.0° |
O1 | C1 | O5 | C5 | 175.5° | 178.8° |
O1 | C1 | C2 | H2 | 76.4° | 62.4° |
C7 | N2 | C2 | C1 | 63.9° | 85.0° |
C7 | N2 | C2 | HN2 | 180.0° | 180.0° |
C7 | N2 | C2 | C3 | 165.9° | 155.3° |
C7 | N2 | C2 | H2 | 55.0° | 35.1° |
N2 | C7 | C8 | H81 | 172.4° | 0.0° |
N2 | C7 | C8 | H82 | 67.7° | 120.0° |
N2 | C7 | C8 | H83 | 52.3° | 120.0° |
C1 | C2 | N2 | C3 | 130.1° | 119.7° |
C1 | C2 | N2 | H2 | 119.0° | 120.1° |
C1 | C2 | C3 | H2 | 110.4° | 120.0° |
C2 | C1 | O5 | H1 | 116.7° | 120.0° |
C1 | C2 | C3 | O3 | 170.4° | 176.8° |
C1 | C2 | C3 | C4 | 40.0° | 57.0° |
C2 | C1 | O5 | C5 | 54.6° | 61.2° |
C2 | C1 | O1 | HO1 | 6.7° | 179.9° |
C1 | C2 | N2 | HN2 | 116.0° | 95.0° |
C1 | C2 | C3 | H3 | 74.8° | 62.9° |
N2 | C2 | C3 | H2 | 111.3° | 120.1° |
N2 | C2 | C1 | O5 | 86.2° | 62.3° |
N2 | C2 | C3 | O3 | 32.1° | 56.9° |
N2 | C2 | C3 | C4 | 98.3° | 62.9° |
N2 | C2 | C1 | H1 | 156.5° | 177.7° |
N2 | C2 | C3 | H3 | 146.9° | 177.2° |
C3 | C2 | C1 | O5 | 43.9° | 57.6° |
C2 | C3 | O3 | C4 | 131.1° | 119.5° |
C2 | C3 | O3 | H3 | 114.2° | 120.2° |
C2 | C3 | C4 | H3 | 114.8° | 119.9° |
C2 | C3 | C4 | C5 | 48.9° | 57.0° |
C2 | C3 | C4 | O4 | 174.4° | 176.9° |
C3 | C2 | C1 | H1 | 73.5° | 62.4° |
C3 | C2 | N2 | HN2 | 14.1° | 24.7° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 68.1° | 63.0° |
C1 | O5 | C5 | C4 | 58.3° | 61.2° |
C1 | O5 | C5 | C6 | 176.2° | 178.9° |
O5 | C1 | O1 | HO1 | 127.5° | 60.0° |
O5 | C1 | C2 | H2 | 154.4° | 177.6° |
C1 | O5 | C5 | H5 | 57.4° | 58.8° |
O3 | C3 | C4 | H3 | 115.4° | 120.3° |
O3 | C3 | C4 | C5 | 178.7° | 176.8° |
O3 | C3 | C4 | O4 | 55.8° | 63.3° |
O3 | C3 | C2 | H2 | 79.2° | 63.2° |
O3 | C3 | C4 | H4 | 61.7° | 56.9° |
C3 | C4 | C5 | O5 | 57.3° | 57.7° |
C3 | C4 | C5 | O4 | 123.5° | 119.9° |
C3 | C4 | C5 | H4 | 117.1° | 119.9° |
C3 | C4 | C5 | C6 | 174.5° | 177.6° |
C3 | C4 | O4 | H4 | 116.6° | 120.1° |
C4 | C3 | C2 | H2 | 150.4° | 177.0° |
C4 | C3 | O3 | HO3 | 48.9° | 60.5° |
C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
C3 | C4 | C5 | H5 | 59.4° | 62.3° |
O5 | C5 | C4 | C6 | 128.2° | 119.9° |
O5 | C5 | C4 | H5 | 116.6° | 120.0° |
O5 | C5 | C6 | H5 | 119.4° | 120.1° |
O5 | C5 | C4 | O4 | 179.2° | 177.5° |
O5 | C5 | C6 | O6 | 33.4° | 65.1° |
C5 | O5 | C1 | H1 | 62.1° | 58.8° |
O5 | C5 | C4 | H4 | 59.8° | 62.3° |
O5 | C5 | C6 | H61 | 154.4° | 174.9° |
O5 | C5 | C6 | H62 | 87.6° | 54.9° |
C4 | C5 | C6 | H5 | 114.9° | 120.0° |
C5 | C4 | O4 | H4 | 118.4° | 120.2° |
C4 | C5 | C6 | O6 | 159.1° | 175.0° |
C5 | C4 | C3 | H3 | 65.9° | 62.8° |
C5 | C4 | O4 | HO4 | 55.1° | 60.3° |
C4 | C5 | C6 | H61 | 79.9° | 55.1° |
C4 | C5 | C6 | H62 | 38.1° | 65.0° |
C6 | C5 | C4 | O4 | 51.0° | 62.6° |
C5 | C6 | O6 | H61 | 121.0° | 119.9° |
C5 | C6 | O6 | H62 | 121.0° | 120.1° |
C6 | C5 | C4 | H4 | 68.4° | 57.6° |
C5 | C6 | H61 | H62 | 116.8° | 120.1° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O4 | C4 | C3 | H3 | 59.6° | 57.0° |
O4 | C4 | C5 | H5 | 64.1° | 57.5° |
O6 | C6 | C5 | H5 | 86.0° | 55.0° |
O6 | C6 | H61 | H62 | 116.8° | 120.0° |
H1 | C1 | O1 | HO1 | 119.3° | 60.0° |
H1 | C1 | C2 | H2 | 37.1° | 57.6° |
H2 | C2 | N2 | HN2 | 125.0° | 144.9° |
H2 | C2 | C3 | H3 | 35.6° | 57.0° |
H81 | C8 | H82 | H83 | 120.0° | 120.0° |
H3 | C3 | O3 | HO3 | 65.8° | 59.8° |
H3 | C3 | C4 | H4 | 177.1° | 177.2° |
H4 | C4 | O4 | HO4 | 63.4° | 59.9° |
H4 | C4 | C5 | H5 | 176.5° | 177.7° |
H5 | C5 | C6 | H61 | 35.0° | 65.0° |
H5 | C5 | C6 | H62 | 153.0° | 175.0° |
H61 | C6 | O6 | HO6 | 58.9° | 60.0° |
H62 | C6 | O6 | HO6 | 59.0° | 59.9° |