BCM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5A | C5 | doub | 1.31Å | 1.26Å | |
C5A | H5A1 | sing | 1.08Å | 1.10Å | |
C5A | H5A2 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.49Å | 1.51Å | |
C5 | C4 | sing | 1.50Å | 1.54Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | N10 | sing | 1.48Å | 1.45Å | |
C6 | C7 | sing | 1.50Å | 1.51Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N10 | C9 | sing | 1.35Å | 1.32Å | |
N10 | H10 | sing | 0.97Å | 1.02Å | |
C9 | O9 | doub | 1.21Å | 1.22Å | |
C9 | C1 | sing | 1.47Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.55Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C3 | O2 | sing | 1.49Å | 1.46Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
O2 | C1 | sing | 1.41Å | 1.44Å | |
C1 | N8 | sing | 1.47Å | 1.45Å | |
C1 | C1A | sing | 1.53Å | 1.54Å | |
N8 | C7 | sing | 1.36Å | 1.32Å | |
N8 | HN8 | sing | 0.97Å | 1.02Å | |
C7 | O7 | doub | 1.21Å | 1.22Å | |
C1A | O1A | sing | 1.43Å | 1.43Å | |
C1A | C2A | sing | 1.53Å | 1.54Å | |
C1A | H1A | sing | 1.09Å | 1.11Å | |
O1A | H1O | sing | 0.97Å | 0.95Å | |
C2A | C2B | sing | 1.53Å | 1.52Å | |
C2A | O2A | sing | 1.43Å | 1.43Å | |
C2A | C3A | sing | 1.53Å | 1.52Å | |
C2B | HB1 | sing | 1.09Å | 1.11Å | |
C2B | HB2 | sing | 1.09Å | 1.11Å | |
C2B | HB3 | sing | 1.09Å | 1.12Å | |
O2A | H2O | sing | 0.97Å | 0.95Å | |
C3A | O3A | sing | 1.43Å | 1.42Å | |
C3A | HA1 | sing | 1.09Å | 1.12Å | |
C3A | HA2 | sing | 1.09Å | 1.11Å | |
O3A | H3O | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C5A | H5A1 | 115.8° | 120.0° |
C5 | C5A | H5A2 | 124.6° | 119.9° |
C5A | C5 | C6 | 115.7° | 118.1° |
C5A | C5 | C4 | 124.6° | 118.2° |
H5A1 | C5A | H5A2 | 119.6° | 120.0° |
C6 | C5 | C4 | 119.6° | 123.7° |
C5 | C6 | O6 | 111.6° | 110.1° |
C5 | C6 | N10 | 102.3° | 105.4° |
C5 | C6 | C7 | 97.4° | 112.2° |
C5 | C4 | C3 | 111.8° | 109.0° |
C5 | C4 | H41 | 111.3° | 109.6° |
C5 | C4 | H42 | 111.3° | 109.5° |
O6 | C6 | N10 | 113.3° | 110.1° |
O6 | C6 | C7 | 112.2° | 110.1° |
C6 | O6 | HO6 | 111.6° | 106.8° |
N10 | C6 | C7 | 118.2° | 108.9° |
C6 | N10 | C9 | 123.7° | 115.8° |
C6 | N10 | H10 | 123.1° | 122.0° |
C6 | C7 | N8 | 117.0° | 120.8° |
C6 | C7 | O7 | 120.4° | 119.6° |
C9 | N10 | H10 | 113.2° | 122.2° |
N10 | C9 | O9 | 120.2° | 119.8° |
N10 | C9 | C1 | 117.6° | 120.8° |
O9 | C9 | C1 | 121.8° | 119.4° |
C9 | C1 | O2 | 99.9° | 119.9° |
C9 | C1 | N8 | 117.1° | 113.6° |
C9 | C1 | C1A | 117.4° | 103.9° |
C3 | C4 | H41 | 111.4° | 109.6° |
C3 | C4 | H42 | 111.3° | 109.5° |
C4 | C3 | O2 | 117.9° | 110.1° |
C4 | C3 | H31 | 109.2° | 109.2° |
C4 | C3 | H32 | 109.2° | 109.1° |
H41 | C4 | H42 | 99.0° | 109.6° |
O2 | C3 | H31 | 109.2° | 109.2° |
O2 | C3 | H32 | 109.2° | 110.0° |
C3 | O2 | C1 | 115.3° | 108.5° |
H31 | C3 | H32 | 100.9° | 109.1° |
O2 | C1 | N8 | 101.4° | 110.3° |
O2 | C1 | C1A | 113.5° | 103.8° |
N8 | C1 | C1A | 106.4° | 103.1° |
C1 | N8 | C7 | 124.8° | 116.6° |
C1 | N8 | HN8 | 122.8° | 121.7° |
C1 | C1A | O1A | 107.8° | 109.5° |
C1 | C1A | C2A | 118.2° | 109.5° |
C1 | C1A | H1A | 104.7° | 109.5° |
C7 | N8 | HN8 | 112.4° | 121.7° |
N8 | C7 | O7 | 122.0° | 119.6° |
O1A | C1A | C2A | 110.0° | 109.5° |
O1A | C1A | H1A | 113.8° | 109.5° |
C1A | O1A | H1O | 107.8° | 106.9° |
C2A | C1A | H1A | 102.3° | 109.5° |
C1A | C2A | C2B | 110.8° | 109.5° |
C1A | C2A | O2A | 112.3° | 109.4° |
C1A | C2A | C3A | 109.9° | 109.5° |
C2B | C2A | O2A | 105.4° | 109.5° |
C2B | C2A | C3A | 109.3° | 109.5° |
C2A | C2B | HB1 | 111.7° | 109.5° |
C2A | C2B | HB2 | 110.8° | 109.4° |
C2A | C2B | HB3 | 111.7° | 109.4° |
O2A | C2A | C3A | 109.0° | 109.4° |
C2A | O2A | H2O | 112.2° | 106.8° |
C2A | C3A | O3A | 110.3° | 109.5° |
C2A | C3A | HA1 | 111.9° | 109.5° |
C2A | C3A | HA2 | 111.9° | 109.4° |
HB1 | C2B | HB2 | 111.7° | 109.5° |
HB1 | C2B | HB3 | 98.7° | 109.5° |
HB2 | C2B | HB3 | 111.7° | 109.5° |
O3A | C3A | HA1 | 111.9° | 109.5° |
O3A | C3A | HA2 | 111.9° | 109.5° |
C3A | O3A | H3O | 110.3° | 106.9° |
HA1 | C3A | HA2 | 98.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C5A | H5A1 | H5A2 | 177.3° | 180.0° |
C5A | C5 | C6 | C4 | 177.3° | 180.0° |
C5A | C5 | C6 | O6 | 20.8° | 14.5° |
C5A | C5 | C6 | N10 | 142.3° | 133.2° |
C5A | C5 | C6 | C7 | 96.7° | 108.5° |
C5A | C5 | C4 | C3 | 118.9° | 113.9° |
C5A | C5 | C4 | H41 | 115.8° | 6.0° |
C5A | C5 | C4 | H42 | 6.3° | 126.3° |
H5A1 | C5A | C5 | C6 | 180.0° | 0.0° |
H5A1 | C5A | C5 | C4 | 2.8° | 180.0° |
H5A2 | C5A | C5 | C6 | 2.8° | 180.0° |
H5A2 | C5A | C5 | C4 | 180.0° | 0.0° |
C5 | C6 | O6 | N10 | 114.9° | 115.7° |
C5 | C6 | O6 | C7 | 108.2° | 124.2° |
C5 | C6 | N10 | C7 | 105.5° | 120.6° |
C5 | C6 | O6 | HO6 | 180.0° | 175.8° |
C5 | C6 | N10 | C9 | 94.2° | 73.1° |
C5 | C6 | N10 | H10 | 85.8° | 106.4° |
C6 | C5 | C4 | C3 | 58.1° | 66.1° |
C6 | C5 | C4 | H41 | 67.2° | 174.0° |
C6 | C5 | C4 | H42 | 176.6° | 53.7° |
C5 | C6 | C7 | N8 | 96.9° | 77.9° |
C5 | C6 | C7 | O7 | 74.6° | 102.1° |
C4 | C5 | C6 | O6 | 161.9° | 165.6° |
C4 | C5 | C6 | N10 | 40.4° | 46.9° |
C4 | C5 | C6 | C7 | 80.7° | 71.5° |
C5 | C4 | C3 | H41 | 125.3° | 119.9° |
C5 | C4 | C3 | H42 | 125.3° | 119.8° |
C5 | C4 | H41 | H42 | 117.2° | 120.2° |
C5 | C4 | C3 | O2 | 92.8° | 103.8° |
C5 | C4 | C3 | H31 | 142.0° | 16.1° |
C5 | C4 | C3 | H32 | 32.5° | 135.4° |
O6 | C6 | N10 | C7 | 134.2° | 120.7° |
O6 | C6 | N10 | C9 | 145.5° | 168.2° |
O6 | C6 | N10 | H10 | 34.5° | 12.3° |
O6 | C6 | C7 | N8 | 146.1° | 159.1° |
O6 | C6 | C7 | O7 | 42.4° | 20.9° |
N10 | C6 | O6 | HO6 | 65.1° | 60.1° |
C6 | N10 | C9 | H10 | 180.0° | 179.5° |
C6 | N10 | C9 | O9 | 171.8° | 163.1° |
C6 | N10 | C9 | C1 | 1.0° | 18.1° |
N10 | C6 | C7 | N8 | 11.5° | 38.3° |
N10 | C6 | C7 | O7 | 177.1° | 141.7° |
C7 | C6 | O6 | HO6 | 71.8° | 60.0° |
C7 | C6 | N10 | C9 | 11.3° | 47.5° |
C7 | C6 | N10 | H10 | 168.7° | 133.0° |
C6 | C7 | N8 | C1 | 1.6° | 1.4° |
C6 | C7 | N8 | O7 | 171.3° | 180.0° |
C6 | C7 | N8 | HN8 | 178.4° | 178.7° |
N10 | C9 | O9 | C1 | 172.5° | 178.8° |
N10 | C9 | C1 | O2 | 99.5° | 110.1° |
N10 | C9 | C1 | N8 | 8.8° | 23.3° |
N10 | C9 | C1 | C1A | 137.3° | 134.7° |
H10 | N10 | C9 | O9 | 8.2° | 16.4° |
H10 | N10 | C9 | C1 | 179.0° | 162.4° |
O9 | C9 | C1 | O2 | 73.2° | 71.1° |
O9 | C9 | C1 | N8 | 178.4° | 155.5° |
O9 | C9 | C1 | C1A | 49.9° | 44.1° |
C9 | C1 | O2 | C3 | 85.0° | 77.3° |
C9 | C1 | O2 | N8 | 120.5° | 134.8° |
C9 | C1 | O2 | C1A | 125.8° | 115.3° |
C9 | C1 | N8 | C1A | 133.6° | 111.8° |
C9 | C1 | N8 | C7 | 8.6° | 32.9° |
C9 | C1 | N8 | HN8 | 171.5° | 147.1° |
C9 | C1 | C1A | O1A | 176.0° | 76.8° |
C9 | C1 | C1A | C2A | 58.5° | 163.2° |
C9 | C1 | C1A | H1A | 54.5° | 43.2° |
C3 | C4 | H41 | H42 | 117.2° | 120.2° |
C4 | C3 | O2 | H31 | 125.3° | 119.9° |
C4 | C3 | O2 | H32 | 125.3° | 120.3° |
C4 | C3 | H31 | H32 | 114.9° | 119.2° |
C4 | C3 | O2 | C1 | 71.3° | 62.0° |
H41 | C4 | C3 | O2 | 32.5° | 136.3° |
H41 | C4 | C3 | H31 | 92.8° | 103.8° |
H41 | C4 | C3 | H32 | 157.8° | 15.5° |
H42 | C4 | C3 | O2 | 142.0° | 16.0° |
H42 | C4 | C3 | H31 | 16.7° | 135.9° |
H42 | C4 | C3 | H32 | 92.8° | 104.8° |
O2 | C3 | H31 | H32 | 114.9° | 120.3° |
C3 | O2 | C1 | N8 | 35.5° | 57.5° |
C3 | O2 | C1 | C1A | 149.1° | 167.4° |
H31 | C3 | O2 | C1 | 163.4° | 57.9° |
H32 | C3 | O2 | C1 | 54.0° | 177.7° |
O2 | C1 | N8 | C1A | 118.9° | 110.3° |
O2 | C1 | N8 | C7 | 99.0° | 105.0° |
O2 | C1 | N8 | HN8 | 81.0° | 75.0° |
O2 | C1 | C1A | O1A | 68.1° | 157.0° |
O2 | C1 | C1A | C2A | 57.4° | 37.0° |
O2 | C1 | C1A | H1A | 170.4° | 83.0° |
C1 | N8 | C7 | HN8 | 180.0° | 180.0° |
C1 | N8 | C7 | O7 | 172.9° | 178.6° |
N8 | C1 | C1A | O1A | 42.6° | 41.9° |
N8 | C1 | C1A | C2A | 168.0° | 78.0° |
N8 | C1 | C1A | H1A | 79.0° | 162.0° |
C1A | C1 | N8 | C7 | 142.1° | 144.7° |
C1A | C1 | N8 | HN8 | 37.9° | 35.3° |
C1 | C1A | O1A | C2A | 130.2° | 120.0° |
C1 | C1A | O1A | H1A | 115.7° | 120.0° |
C1 | C1A | C2A | H1A | 114.3° | 120.0° |
C1 | C1A | O1A | H1O | 180.0° | 69.1° |
C1 | C1A | C2A | C2B | 125.9° | 50.4° |
C1 | C1A | C2A | O2A | 8.3° | 69.6° |
C1 | C1A | C2A | C3A | 113.2° | 170.4° |
HN8 | N8 | C7 | O7 | 7.1° | 1.4° |
O1A | C1A | C2A | H1A | 121.3° | 120.1° |
O1A | C1A | C2A | C2B | 1.5° | 69.6° |
O1A | C1A | C2A | O2A | 116.1° | 170.4° |
O1A | C1A | C2A | C3A | 122.4° | 50.4° |
C2A | C1A | O1A | H1O | 49.8° | 50.9° |
C1A | C2A | C2B | O2A | 121.7° | 120.0° |
C1A | C2A | C2B | C3A | 121.2° | 120.0° |
C1A | C2A | O2A | C3A | 121.9° | 120.0° |
C1A | C2A | C2B | HB1 | 54.7° | 174.9° |
C1A | C2A | C2B | HB2 | 180.0° | 65.1° |
C1A | C2A | C2B | HB3 | 54.7° | 54.9° |
C1A | C2A | O2A | H2O | 180.0° | 60.0° |
C1A | C2A | C3A | O3A | 77.3° | 180.0° |
C1A | C2A | C3A | HA1 | 48.0° | 59.9° |
C1A | C2A | C3A | HA2 | 157.5° | 60.0° |
H1A | C1A | O1A | H1O | 64.3° | 170.9° |
H1A | C1A | C2A | C2B | 119.8° | 170.3° |
H1A | C1A | C2A | O2A | 122.6° | 50.3° |
H1A | C1A | C2A | C3A | 1.1° | 69.6° |
C2B | C2A | O2A | C3A | 117.3° | 120.0° |
C2A | C2B | HB1 | HB2 | 124.8° | 120.0° |
C2A | C2B | HB1 | HB3 | 117.6° | 120.0° |
C2A | C2B | HB2 | HB3 | 125.3° | 120.0° |
C2B | C2A | O2A | H2O | 59.2° | 180.0° |
C2B | C2A | C3A | O3A | 44.5° | 60.0° |
C2B | C2A | C3A | HA1 | 169.8° | 180.0° |
C2B | C2A | C3A | HA2 | 80.7° | 60.0° |
O2A | C2A | C2B | HB1 | 67.0° | 54.9° |
O2A | C2A | C2B | HB2 | 58.3° | 174.9° |
O2A | C2A | C2B | HB3 | 176.4° | 65.1° |
O2A | C2A | C3A | O3A | 159.3° | 60.0° |
O2A | C2A | C3A | HA1 | 75.4° | 60.0° |
O2A | C2A | C3A | HA2 | 34.1° | 180.0° |
C3A | C2A | C2B | HB1 | 176.0° | 65.0° |
C3A | C2A | C2B | HB2 | 58.7° | 54.9° |
C3A | C2A | C2B | HB3 | 66.5° | 175.0° |
C3A | C2A | O2A | H2O | 58.0° | 60.0° |
C2A | C3A | O3A | HA1 | 125.3° | 120.1° |
C2A | C3A | O3A | HA2 | 125.3° | 120.0° |
C2A | C3A | HA1 | HA2 | 117.8° | 119.9° |
C2A | C3A | O3A | H3O | 180.0° | 180.0° |
HB1 | C2B | HB2 | HB3 | 109.4° | 120.1° |
O3A | C3A | HA1 | HA2 | 117.8° | 120.0° |
HA1 | C3A | O3A | H3O | 54.8° | 60.0° |
HA2 | C3A | O3A | H3O | 54.7° | 60.0° |