BLT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 0.00Å | 1.46Å | |
C1 | C2 | sing | 0.00Å | 1.56Å | |
C1 | C5 | sing | 0.00Å | 1.53Å | |
C1 | H1 | sing | 0.00Å | 1.11Å | |
O1 | HO1 | sing | 0.00Å | 0.95Å | |
C2 | O2 | sing | 0.00Å | 1.39Å | |
C2 | C3 | sing | 0.00Å | 1.56Å | |
C2 | H2 | sing | 0.00Å | 1.12Å | |
O2 | HO2 | sing | 0.00Å | 0.95Å | |
C3 | SE4 | sing | 0.00Å | 1.94Å | |
C3 | H31 | sing | 0.00Å | 1.12Å | |
C3 | H32 | sing | 0.00Å | 1.11Å | |
SE4 | C5 | sing | 0.00Å | 1.97Å | |
SE4 | C7 | sing | 0.00Å | 1.85Å | |
C5 | C6 | sing | 0.00Å | 1.58Å | |
C5 | H5 | sing | 0.00Å | 1.12Å | |
C6 | O6 | sing | 0.00Å | 1.47Å | |
C6 | H61 | sing | 0.00Å | 1.12Å | |
C6 | H62 | sing | 0.00Å | 1.11Å | |
O6 | HO6 | sing | 0.00Å | 0.95Å | |
C7 | C8 | sing | 0.00Å | 1.50Å | |
C7 | H71 | sing | 0.00Å | 1.11Å | |
C7 | H72 | sing | 0.00Å | 1.12Å | |
C8 | O8 | sing | 0.00Å | 1.47Å | |
C8 | C9 | sing | 0.00Å | 1.52Å | |
C8 | H8 | sing | 0.00Å | 1.12Å | |
O8 | HO8 | sing | 0.00Å | 0.95Å | |
C9 | C10 | sing | 0.00Å | 1.55Å | |
C9 | O9 | sing | 0.00Å | 1.44Å | |
C9 | H9 | sing | 0.00Å | 1.11Å | |
C10 | O10 | sing | 0.00Å | 1.43Å | |
C10 | H101 | sing | 0.00Å | 1.12Å | |
C10 | H102 | sing | 0.00Å | 1.12Å | |
O10 | H10 | sing | 0.00Å | 0.95Å | |
O9 | S9 | sing | 0.00Å | 1.54Å | |
S9 | O11 | sing | 0.00Å | 1.45Å | |
S9 | O12 | sing | 0.00Å | 1.46Å | |
S9 | O13 | sing | 0.00Å | 1.46Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.5° | 90.0° |
O1 | C1 | C5 | 109.3° | 90.0° |
O1 | C1 | H1 | 110.4° | 90.0° |
C1 | O1 | HO1 | 109.5° | 90.0° |
C2 | C1 | C5 | 111.8° | 90.0° |
C2 | C1 | H1 | 107.9° | 90.0° |
C1 | C2 | O2 | 110.2° | 90.0° |
C1 | C2 | C3 | 103.9° | 90.0° |
C1 | C2 | H2 | 113.1° | 90.0° |
C5 | C1 | H1 | 108.1° | 90.0° |
C1 | C5 | SE4 | 99.4° | 90.0° |
C1 | C5 | C6 | 111.7° | 90.0° |
C1 | C5 | H5 | 115.8° | 90.0° |
O2 | C2 | C3 | 110.8° | 90.0° |
O2 | C2 | H2 | 106.4° | 90.0° |
C2 | O2 | HO2 | 110.2° | 90.0° |
C3 | C2 | H2 | 112.5° | 90.0° |
C2 | C3 | SE4 | 112.3° | 90.0° |
C2 | C3 | H31 | 111.2° | 90.0° |
C2 | C3 | H32 | 111.2° | 90.0° |
SE4 | C3 | H31 | 111.2° | 90.0° |
SE4 | C3 | H32 | 111.2° | 90.0° |
C3 | SE4 | C5 | 86.3° | 90.0° |
C3 | SE4 | C7 | 107.7° | 90.0° |
H31 | C3 | H32 | 99.2° | 90.0° |
C5 | SE4 | C7 | 99.5° | 90.0° |
SE4 | C5 | C6 | 113.3° | 90.0° |
SE4 | C5 | H5 | 114.4° | 90.0° |
SE4 | C7 | C8 | 118.5° | 90.0° |
SE4 | C7 | H71 | 109.0° | 90.0° |
SE4 | C7 | H72 | 109.0° | 90.0° |
C6 | C5 | H5 | 102.8° | 90.0° |
C5 | C6 | O6 | 105.3° | 90.0° |
C5 | C6 | H61 | 113.8° | 90.0° |
C5 | C6 | H62 | 113.8° | 90.0° |
O6 | C6 | H61 | 113.8° | 90.0° |
O6 | C6 | H62 | 113.8° | 90.0° |
C6 | O6 | HO6 | 105.2° | 90.0° |
H61 | C6 | H62 | 96.7° | 90.0° |
C8 | C7 | H71 | 109.0° | 90.0° |
C8 | C7 | H72 | 108.9° | 90.0° |
C7 | C8 | O8 | 108.3° | 90.0° |
C7 | C8 | C9 | 117.6° | 90.0° |
C7 | C8 | H8 | 103.8° | 90.0° |
H71 | C7 | H72 | 101.1° | 90.0° |
O8 | C8 | C9 | 106.7° | 90.0° |
O8 | C8 | H8 | 115.3° | 90.0° |
C8 | O8 | HO8 | 108.4° | 90.0° |
C9 | C8 | H8 | 105.5° | 90.0° |
C8 | C9 | C10 | 110.3° | 90.0° |
C8 | C9 | O9 | 106.2° | 90.0° |
C8 | C9 | H9 | 112.7° | 90.0° |
C10 | C9 | O9 | 113.8° | 90.0° |
C10 | C9 | H9 | 104.9° | 90.0° |
C9 | C10 | O10 | 108.4° | 90.0° |
C9 | C10 | H101 | 112.6° | 90.0° |
C9 | C10 | H102 | 112.6° | 90.0° |
O9 | C9 | H9 | 109.1° | 90.0° |
C9 | O9 | S9 | 126.1° | 90.0° |
O10 | C10 | H101 | 112.6° | 90.0° |
O10 | C10 | H102 | 112.6° | 90.0° |
C10 | O10 | H10 | 108.5° | 90.0° |
H101 | C10 | H102 | 97.8° | 90.0° |
O9 | S9 | O11 | 111.0° | 90.0° |
O9 | S9 | O12 | 108.5° | 90.0° |
O9 | S9 | O13 | 100.5° | 90.0° |
O11 | S9 | O12 | 112.2° | 90.0° |
O11 | S9 | O13 | 112.2° | 90.0° |
O12 | S9 | O13 | 111.8° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | C5 | 121.2° | 90.0° |
O1 | C1 | C2 | H1 | 120.2° | 90.0° |
O1 | C1 | C5 | H1 | 120.2° | 90.0° |
O1 | C1 | C2 | O2 | 82.7° | 90.0° |
O1 | C1 | C2 | C3 | 158.6° | 90.0° |
O1 | C1 | C2 | H2 | 36.3° | 90.0° |
O1 | C1 | C5 | SE4 | 175.5° | 90.0° |
O1 | C1 | C5 | C6 | 64.7° | 90.0° |
O1 | C1 | C5 | H5 | 52.5° | 90.0° |
C2 | C1 | C5 | H1 | 118.5° | 90.0° |
C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
C1 | C2 | O2 | C3 | 114.4° | 90.0° |
C1 | C2 | O2 | H2 | 123.0° | 90.0° |
C1 | C2 | C3 | H2 | 122.7° | 90.0° |
C1 | C2 | O2 | HO2 | 180.0° | 90.0° |
C1 | C2 | C3 | SE4 | 1.6° | 90.0° |
C1 | C2 | C3 | H31 | 126.8° | 90.0° |
C1 | C2 | C3 | H32 | 123.7° | 90.0° |
C2 | C1 | C5 | SE4 | 54.2° | 90.0° |
C2 | C1 | C5 | C6 | 174.0° | 90.0° |
C2 | C1 | C5 | H5 | 68.8° | 90.0° |
C5 | C1 | O1 | HO1 | 57.3° | 90.0° |
C5 | C1 | C2 | O2 | 156.1° | 90.0° |
C5 | C1 | C2 | C3 | 37.4° | 90.0° |
C5 | C1 | C2 | H2 | 84.9° | 90.0° |
C1 | C5 | SE4 | C3 | 41.4° | 90.0° |
C1 | C5 | SE4 | C6 | 118.6° | 90.0° |
C1 | C5 | SE4 | H5 | 124.1° | 90.0° |
C1 | C5 | SE4 | C7 | 148.8° | 90.0° |
C1 | C5 | C6 | H5 | 124.8° | 90.0° |
C1 | C5 | C6 | O6 | 178.5° | 90.0° |
C1 | C5 | C6 | H61 | 56.2° | 90.0° |
C1 | C5 | C6 | H62 | 53.2° | 90.0° |
H1 | C1 | O1 | HO1 | 61.4° | 90.0° |
H1 | C1 | C2 | O2 | 37.5° | 90.0° |
H1 | C1 | C2 | C3 | 81.3° | 90.0° |
H1 | C1 | C2 | H2 | 156.5° | 90.0° |
H1 | C1 | C5 | SE4 | 64.3° | 90.0° |
H1 | C1 | C5 | C6 | 55.5° | 90.0° |
H1 | C1 | C5 | H5 | 172.7° | 90.0° |
O2 | C2 | C3 | H2 | 119.0° | 90.0° |
O2 | C2 | C3 | SE4 | 119.9° | 90.0° |
O2 | C2 | C3 | H31 | 114.9° | 90.0° |
O2 | C2 | C3 | H32 | 5.4° | 90.0° |
C3 | C2 | O2 | HO2 | 65.5° | 90.0° |
C2 | C3 | SE4 | H31 | 125.3° | 90.0° |
C2 | C3 | SE4 | H32 | 125.2° | 90.0° |
C2 | C3 | H31 | H32 | 117.0° | 90.0° |
C2 | C3 | SE4 | C5 | 24.0° | 90.0° |
C2 | C3 | SE4 | C7 | 122.8° | 90.0° |
H2 | C2 | O2 | HO2 | 57.1° | 90.0° |
H2 | C2 | C3 | SE4 | 121.1° | 90.0° |
H2 | C2 | C3 | H31 | 4.2° | 90.0° |
H2 | C2 | C3 | H32 | 113.6° | 90.0° |
SE4 | C3 | H31 | H32 | 117.1° | 90.0° |
C3 | SE4 | C5 | C7 | 107.3° | 90.0° |
C3 | SE4 | C5 | C6 | 160.0° | 90.0° |
C3 | SE4 | C5 | H5 | 82.7° | 90.0° |
C3 | SE4 | C7 | C8 | 101.1° | 90.0° |
C3 | SE4 | C7 | H71 | 133.6° | 90.0° |
C3 | SE4 | C7 | H72 | 24.1° | 90.0° |
H31 | C3 | SE4 | C5 | 101.2° | 90.0° |
H31 | C3 | SE4 | C7 | 2.5° | 90.0° |
H32 | C3 | SE4 | C5 | 149.3° | 90.0° |
H32 | C3 | SE4 | C7 | 112.0° | 90.0° |
SE4 | C5 | C6 | H5 | 123.9° | 90.0° |
SE4 | C5 | C6 | O6 | 70.2° | 90.0° |
SE4 | C5 | C6 | H61 | 55.0° | 90.0° |
SE4 | C5 | C6 | H62 | 164.5° | 90.0° |
C5 | SE4 | C7 | C8 | 169.8° | 90.0° |
C5 | SE4 | C7 | H71 | 44.5° | 90.0° |
C5 | SE4 | C7 | H72 | 65.0° | 90.0° |
C7 | SE4 | C5 | C6 | 92.6° | 90.0° |
C7 | SE4 | C5 | H5 | 24.7° | 90.0° |
SE4 | C7 | C8 | H71 | 125.3° | 90.0° |
SE4 | C7 | C8 | H72 | 125.3° | 90.0° |
SE4 | C7 | H71 | H72 | 114.7° | 90.0° |
SE4 | C7 | C8 | O8 | 45.3° | 90.0° |
SE4 | C7 | C8 | C9 | 166.2° | 90.0° |
SE4 | C7 | C8 | H8 | 77.7° | 90.0° |
C5 | C6 | O6 | H61 | 125.3° | 90.0° |
C5 | C6 | O6 | H62 | 125.3° | 90.0° |
C5 | C6 | H61 | H62 | 119.7° | 90.0° |
C5 | C6 | O6 | HO6 | 180.0° | 90.0° |
H5 | C5 | C6 | O6 | 53.7° | 90.0° |
H5 | C5 | C6 | H61 | 178.9° | 90.0° |
H5 | C5 | C6 | H62 | 71.6° | 90.0° |
O6 | C6 | H61 | H62 | 119.7° | 90.0° |
H61 | C6 | O6 | HO6 | 54.7° | 90.0° |
H62 | C6 | O6 | HO6 | 54.7° | 90.0° |
C8 | C7 | H71 | H72 | 114.7° | 90.0° |
C7 | C8 | O8 | C9 | 127.5° | 90.0° |
C7 | C8 | O8 | H8 | 115.7° | 90.0° |
C7 | C8 | C9 | H8 | 115.1° | 90.0° |
C7 | C8 | O8 | HO8 | 180.0° | 90.0° |
C7 | C8 | C9 | C10 | 176.1° | 90.0° |
C7 | C8 | C9 | O9 | 52.3° | 90.0° |
C7 | C8 | C9 | H9 | 67.0° | 90.0° |
H71 | C7 | C8 | O8 | 80.0° | 90.0° |
H71 | C7 | C8 | C9 | 41.0° | 90.0° |
H71 | C7 | C8 | H8 | 157.0° | 90.0° |
H72 | C7 | C8 | O8 | 170.5° | 90.0° |
H72 | C7 | C8 | C9 | 68.5° | 90.0° |
H72 | C7 | C8 | H8 | 47.5° | 90.0° |
O8 | C8 | C9 | H8 | 123.1° | 90.0° |
O8 | C8 | C9 | C10 | 62.0° | 90.0° |
O8 | C8 | C9 | O9 | 174.2° | 90.0° |
O8 | C8 | C9 | H9 | 54.8° | 90.0° |
C9 | C8 | O8 | HO8 | 52.5° | 90.0° |
C8 | C9 | C10 | O9 | 119.3° | 90.0° |
C8 | C9 | C10 | H9 | 121.6° | 90.0° |
C8 | C9 | O9 | H9 | 121.7° | 90.0° |
C8 | C9 | C10 | O10 | 68.1° | 90.0° |
C8 | C9 | C10 | H101 | 57.2° | 90.0° |
C8 | C9 | C10 | H102 | 166.6° | 90.0° |
C8 | C9 | O9 | S9 | 119.4° | 90.0° |
H8 | C8 | O8 | HO8 | 64.3° | 90.0° |
H8 | C8 | C9 | C10 | 61.0° | 90.0° |
H8 | C8 | C9 | O9 | 62.8° | 90.0° |
H8 | C8 | C9 | H9 | 177.9° | 90.0° |
C10 | C9 | O9 | H9 | 116.7° | 90.0° |
C9 | C10 | O10 | H101 | 125.3° | 90.0° |
C9 | C10 | O10 | H102 | 125.3° | 90.0° |
C9 | C10 | H101 | H102 | 118.5° | 90.0° |
C9 | C10 | O10 | H10 | 180.0° | 90.0° |
C10 | C9 | O9 | S9 | 119.0° | 90.0° |
O9 | C9 | C10 | O10 | 51.2° | 90.0° |
O9 | C9 | C10 | H101 | 176.5° | 90.0° |
O9 | C9 | C10 | H102 | 74.1° | 90.0° |
C9 | O9 | S9 | O11 | 54.5° | 90.0° |
C9 | O9 | S9 | O12 | 178.2° | 90.0° |
C9 | O9 | S9 | O13 | 64.4° | 90.0° |
H9 | C9 | C10 | O10 | 170.3° | 90.0° |
H9 | C9 | C10 | H101 | 64.4° | 90.0° |
H9 | C9 | C10 | H102 | 45.0° | 90.0° |
H9 | C9 | O9 | S9 | 2.3° | 90.0° |
O10 | C10 | H101 | H102 | 118.5° | 90.0° |
H101 | C10 | O10 | H10 | 54.7° | 90.0° |
H102 | C10 | O10 | H10 | 54.7° | 90.0° |
O9 | S9 | O11 | O12 | 121.6° | 90.0° |
O9 | S9 | O11 | O13 | 111.6° | 90.0° |
O9 | S9 | O12 | O13 | 110.0° | 90.0° |
O11 | S9 | O12 | O13 | 127.0° | 90.0° |