ALX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | O6 | sing | 1.43Å | 1.38Å | |
C6 | C5 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.39Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
O5 | C1 | sing | 1.43Å | 1.38Å | |
O1 | C1 | sing | 1.43Å | 1.39Å | |
O4 | C4 | sing | 1.43Å | 1.38Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C4 | C3 | sing | 1.53Å | 1.50Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C2 | O2 | sing | 1.43Å | 1.38Å | |
O2 | PAM | sing | 1.61Å | 1.57Å | |
OAO | PAM | doub | 1.48Å | 1.49Å | |
PAM | OAN | sing | 1.61Å | 1.49Å | |
PAM | OAP | sing | 1.61Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | 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 | |
OAN | H8 | sing | 0.97Å | 0.95Å | |
OAP | H9 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 117.6° | 109.5° |
O6 | C6 | H61 | 107.4° | 109.5° |
O6 | C6 | H62 | 107.4° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C6 | C5 | O5 | 109.4° | 109.5° |
C6 | C5 | C4 | 111.6° | 109.5° |
C6 | C5 | H5 | 107.8° | 109.4° |
C5 | C6 | H61 | 107.4° | 109.5° |
C5 | C6 | H62 | 107.4° | 109.4° |
O5 | C5 | C4 | 111.1° | 109.4° |
C5 | O5 | C1 | 114.9° | 114.1° |
O5 | C5 | H5 | 109.2° | 109.5° |
C5 | C4 | O4 | 110.0° | 109.5° |
C5 | C4 | C3 | 110.5° | 109.1° |
C4 | C5 | H5 | 107.7° | 109.5° |
C5 | C4 | H4 | 108.7° | 109.6° |
O5 | C1 | O1 | 110.3° | 109.5° |
O5 | C1 | C2 | 111.0° | 109.4° |
O5 | C1 | H1 | 108.4° | 109.5° |
O1 | C1 | C2 | 111.9° | 109.5° |
O1 | C1 | H1 | 108.3° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O4 | C4 | C3 | 108.6° | 109.5° |
O4 | C4 | H4 | 110.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C1 | C2 | C3 | 112.6° | 109.1° |
C1 | C2 | O2 | 110.7° | 109.5° |
C2 | C1 | H1 | 106.8° | 109.5° |
C1 | C2 | H2 | 106.9° | 109.5° |
C4 | C3 | C2 | 112.0° | 109.0° |
C4 | C3 | O3 | 110.2° | 109.5° |
C4 | C3 | H3 | 107.0° | 109.6° |
C3 | C4 | H4 | 108.8° | 109.5° |
C2 | C3 | O3 | 112.0° | 109.5° |
C3 | C2 | O2 | 111.0° | 109.5° |
C3 | C2 | H2 | 107.0° | 109.6° |
C2 | C3 | H3 | 107.0° | 109.6° |
O3 | C3 | H3 | 108.3° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | O2 | PAM | 122.9° | 123.0° |
O2 | C2 | H2 | 108.5° | 109.5° |
O2 | PAM | OAO | 115.2° | 109.5° |
O2 | PAM | OAN | 110.4° | 109.5° |
O2 | PAM | OAP | 111.7° | 109.4° |
OAO | PAM | OAN | 107.2° | 109.5° |
OAO | PAM | OAP | 104.9° | 109.5° |
OAN | PAM | OAP | 107.0° | 109.5° |
PAM | OAN | H8 | 109.5° | 114.0° |
PAM | OAP | H9 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | H61 | 121.1° | 120.0° |
O6 | C6 | C5 | H62 | 121.2° | 120.0° |
O6 | C6 | C5 | O5 | 61.7° | 65.0° |
O6 | C6 | C5 | C4 | 61.7° | 175.1° |
O6 | C6 | C5 | H5 | 179.7° | 55.1° |
O6 | C6 | H61 | H62 | 116.3° | 120.0° |
C6 | C5 | O5 | C4 | 123.6° | 120.0° |
C6 | C5 | O5 | H5 | 117.8° | 120.0° |
C6 | C5 | C4 | H5 | 118.1° | 119.9° |
C6 | C5 | O5 | C1 | 175.1° | 178.8° |
C6 | C5 | C4 | O4 | 63.8° | 62.5° |
C6 | C5 | C4 | C3 | 176.4° | 177.6° |
C5 | C6 | H61 | H62 | 116.4° | 120.0° |
C6 | C5 | C4 | H4 | 57.2° | 57.7° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C4 | H5 | 119.6° | 120.1° |
C5 | O5 | C1 | O1 | 66.2° | 58.9° |
O5 | C5 | C4 | O4 | 173.9° | 177.5° |
C5 | O5 | C1 | C2 | 58.4° | 61.2° |
O5 | C5 | C4 | C3 | 54.1° | 57.6° |
C5 | O5 | C1 | H1 | 175.4° | 178.8° |
O5 | C5 | C6 | H61 | 177.2° | 175.0° |
O5 | C5 | C6 | H62 | 59.5° | 55.0° |
O5 | C5 | C4 | H4 | 65.2° | 62.3° |
C4 | C5 | O5 | C1 | 61.4° | 61.2° |
C5 | C4 | O4 | C3 | 121.0° | 119.7° |
C5 | C4 | O4 | H4 | 119.9° | 120.2° |
C5 | C4 | C3 | H4 | 119.2° | 119.9° |
C5 | C4 | C3 | C2 | 47.6° | 57.0° |
C5 | C4 | C3 | O3 | 173.1° | 176.8° |
C5 | C4 | C3 | H3 | 69.3° | 62.9° |
C4 | C5 | C6 | H61 | 59.5° | 55.0° |
C4 | C5 | C6 | H62 | 177.2° | 65.0° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
O5 | C1 | O1 | C2 | 124.1° | 120.0° |
O5 | C1 | O1 | H1 | 118.4° | 120.0° |
O5 | C1 | C2 | H1 | 117.9° | 120.0° |
O5 | C1 | C2 | C3 | 49.7° | 57.7° |
O5 | C1 | C2 | O2 | 174.5° | 177.5° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O5 | C1 | C2 | H2 | 67.5° | 62.3° |
C1 | O5 | C5 | H5 | 57.3° | 58.8° |
O1 | C1 | C2 | H1 | 118.4° | 120.0° |
O1 | C1 | C2 | C3 | 74.0° | 62.4° |
O1 | C1 | C2 | O2 | 50.8° | 57.5° |
O1 | C1 | C2 | H2 | 168.8° | 177.6° |
O4 | C4 | C3 | H4 | 120.2° | 120.1° |
O4 | C4 | C3 | C2 | 168.3° | 176.9° |
O4 | C4 | C3 | O3 | 66.3° | 63.3° |
O4 | C4 | C3 | H3 | 51.4° | 57.0° |
O4 | C4 | C5 | H5 | 54.3° | 57.5° |
C1 | C2 | C3 | C4 | 46.0° | 57.0° |
C1 | C2 | C3 | O2 | 124.7° | 119.9° |
C1 | C2 | C3 | H2 | 117.2° | 120.0° |
C1 | C2 | C3 | O3 | 170.5° | 176.8° |
C1 | C2 | O2 | H2 | 117.0° | 120.1° |
C1 | C2 | O2 | PAM | 105.6° | 120.0° |
C2 | C1 | O1 | HO1 | 55.9° | 180.0° |
C1 | C2 | C3 | H3 | 71.0° | 63.0° |
C4 | C3 | C2 | O3 | 124.4° | 119.8° |
C4 | C3 | C2 | H3 | 117.0° | 120.0° |
C4 | C3 | O3 | H3 | 116.8° | 120.3° |
C4 | C3 | C2 | O2 | 170.7° | 176.9° |
C4 | C3 | C2 | H2 | 71.2° | 62.9° |
C3 | C4 | C5 | H5 | 65.5° | 62.4° |
C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
C3 | C4 | O4 | HO4 | 59.0° | 179.7° |
C2 | C3 | O3 | H3 | 117.8° | 120.2° |
C3 | C2 | O2 | H2 | 117.2° | 120.2° |
C3 | C2 | O2 | PAM | 128.7° | 120.4° |
C3 | C2 | C1 | H1 | 167.6° | 177.6° |
C2 | C3 | O3 | HO3 | 54.5° | 180.0° |
C2 | C3 | C4 | H4 | 71.6° | 63.0° |
O3 | C3 | C2 | O2 | 64.9° | 63.3° |
O3 | C3 | C2 | H2 | 53.3° | 56.9° |
O3 | C3 | C4 | H4 | 53.9° | 56.9° |
C2 | O2 | PAM | OAO | 21.7° | 55.0° |
C2 | O2 | PAM | OAN | 143.2° | 175.0° |
C2 | O2 | PAM | OAP | 97.9° | 65.0° |
O2 | C2 | C1 | H1 | 67.6° | 62.5° |
O2 | C2 | C3 | H3 | 53.7° | 56.9° |
O2 | PAM | OAO | OAN | 123.2° | 120.0° |
O2 | PAM | OAO | OAP | 123.2° | 120.0° |
O2 | PAM | OAN | OAP | 121.7° | 120.0° |
PAM | O2 | C2 | H2 | 11.5° | 0.1° |
O2 | PAM | OAN | H8 | 126.1° | 179.9° |
O2 | PAM | OAP | H9 | 125.5° | 60.0° |
OAO | PAM | OAN | OAP | 112.1° | 120.0° |
OAO | PAM | OAN | H8 | 0.0° | 60.0° |
OAO | PAM | OAP | H9 | 0.0° | 180.0° |
OAN | PAM | OAP | H9 | 113.6° | 60.0° |
OAP | PAM | OAN | H8 | 112.2° | 60.0° |
H1 | C1 | O1 | HO1 | 61.6° | 60.0° |
H1 | C1 | C2 | H2 | 50.4° | 57.6° |
H2 | C2 | C3 | H3 | 171.9° | 177.1° |
H3 | C3 | O3 | HO3 | 63.2° | 59.8° |
H3 | C3 | C4 | H4 | 171.5° | 177.1° |
H5 | C5 | C6 | H61 | 58.6° | 65.0° |
H5 | C5 | C6 | H62 | 59.1° | 175.1° |
H5 | C5 | C4 | H4 | 175.3° | 177.6° |
H61 | C6 | O6 | HO6 | 58.8° | 60.0° |
H62 | C6 | O6 | HO6 | 58.8° | 60.0° |
H4 | C4 | O4 | HO4 | 60.1° | 60.2° |