GMZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.38Å | |
O3 | C3 | sing | 1.43Å | 1.38Å | |
C3 | C4 | sing | 1.53Å | 1.49Å | |
C3 | C2 | sing | 1.53Å | 1.47Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.37Å | |
O6 | C6 | sing | 1.43Å | 1.38Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.39Å | |
O5 | C1 | sing | 1.43Å | 1.42Å | |
OP6 | P2 | doub | 1.48Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.39Å | |
O7 | C7 | sing | 1.43Å | 1.39Å | |
O7 | P2 | sing | 1.61Å | 1.58Å | |
OP4 | P2 | sing | 1.61Å | 1.51Å | |
P2 | OP5 | sing | 1.61Å | 1.51Å | |
OP2 | P1 | doub | 1.48Å | 1.51Å | |
O1 | P1 | sing | 1.61Å | 1.58Å | |
P1 | OP1 | sing | 1.61Å | 1.51Å | |
P1 | OP3 | sing | 1.61Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
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 | H6 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
OP4 | H13 | sing | 0.97Å | 0.95Å | |
OP5 | H14 | sing | 0.97Å | 0.95Å | |
OP1 | H15 | sing | 0.97Å | 0.95Å | |
OP3 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 109.7° | 109.5° |
O4 | C4 | C5 | 110.6° | 109.5° |
O4 | C4 | H4 | 109.9° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O3 | C3 | C4 | 109.0° | 109.5° |
O3 | C3 | C2 | 109.3° | 109.5° |
O3 | C3 | H3 | 111.1° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | C2 | 108.3° | 109.0° |
C3 | C4 | C5 | 110.0° | 109.2° |
C4 | C3 | H3 | 109.4° | 109.6° |
C3 | C4 | H4 | 108.3° | 109.5° |
C3 | C2 | C1 | 113.7° | 109.2° |
C3 | C2 | O2 | 109.4° | 109.5° |
C3 | C2 | H2 | 107.5° | 109.6° |
C2 | C3 | H3 | 109.7° | 109.6° |
C4 | C5 | C6 | 110.4° | 109.5° |
C4 | C5 | O5 | 112.0° | 109.4° |
C5 | C4 | H4 | 108.3° | 109.5° |
C4 | C5 | H5 | 108.0° | 109.5° |
C6 | C5 | O5 | 109.1° | 109.5° |
C5 | C6 | O6 | 110.7° | 109.5° |
C5 | C6 | C7 | 111.2° | 109.4° |
C6 | C5 | H5 | 107.8° | 109.5° |
C5 | C6 | H6 | 108.4° | 109.5° |
C5 | O5 | C1 | 121.1° | 114.1° |
O5 | C5 | H5 | 109.6° | 109.5° |
O6 | C6 | C7 | 107.9° | 109.5° |
O6 | C6 | H6 | 110.2° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C6 | C7 | O7 | 109.5° | 109.4° |
C7 | C6 | H6 | 108.3° | 109.5° |
C6 | C7 | H71 | 109.5° | 109.5° |
C6 | C7 | H72 | 109.5° | 109.5° |
C1 | C2 | O2 | 110.5° | 109.5° |
C2 | C1 | O5 | 117.9° | 109.4° |
C2 | C1 | O1 | 109.4° | 109.5° |
C2 | C1 | H1 | 106.1° | 109.5° |
C1 | C2 | H2 | 106.9° | 109.5° |
O2 | C2 | H2 | 108.6° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O5 | C1 | O1 | 107.9° | 109.5° |
O5 | C1 | H1 | 107.3° | 109.5° |
OP6 | P2 | O7 | 108.7° | 109.5° |
OP6 | P2 | OP4 | 109.8° | 109.4° |
OP6 | P2 | OP5 | 109.6° | 109.5° |
C1 | O1 | P1 | 118.6° | 123.0° |
O1 | C1 | H1 | 107.7° | 109.5° |
C7 | O7 | P2 | 120.7° | 123.0° |
O7 | C7 | H71 | 109.5° | 109.5° |
O7 | C7 | H72 | 109.5° | 109.5° |
O7 | P2 | OP4 | 109.5° | 109.5° |
O7 | P2 | OP5 | 110.4° | 109.5° |
OP4 | P2 | OP5 | 108.8° | 109.5° |
P2 | OP4 | H13 | 109.5° | 114.0° |
P2 | OP5 | H14 | 109.5° | 114.1° |
OP2 | P1 | O1 | 109.2° | 109.5° |
OP2 | P1 | OP1 | 108.8° | 109.4° |
OP2 | P1 | OP3 | 109.1° | 109.5° |
O1 | P1 | OP1 | 110.2° | 109.5° |
O1 | P1 | OP3 | 110.5° | 109.5° |
OP1 | P1 | OP3 | 109.0° | 109.5° |
P1 | OP1 | H15 | 109.5° | 114.0° |
P1 | OP3 | H16 | 109.5° | 114.0° |
H71 | C7 | H72 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | O3 | 55.5° | 63.2° |
O4 | C4 | C3 | C5 | 121.9° | 119.9° |
O4 | C4 | C3 | H4 | 119.9° | 120.2° |
O4 | C4 | C3 | C2 | 174.4° | 176.9° |
O4 | C4 | C5 | H4 | 120.4° | 120.2° |
O4 | C4 | C5 | C6 | 58.9° | 62.5° |
O4 | C4 | C5 | O5 | 179.4° | 177.5° |
O4 | C4 | C3 | H3 | 66.1° | 57.0° |
O4 | C4 | C5 | H5 | 58.7° | 57.5° |
O3 | C3 | C4 | C2 | 118.8° | 119.9° |
O3 | C3 | C4 | H3 | 121.6° | 120.2° |
O3 | C3 | C2 | H3 | 122.0° | 120.2° |
O3 | C3 | C4 | C5 | 177.4° | 176.9° |
O3 | C3 | C2 | C1 | 165.9° | 176.8° |
O3 | C3 | C2 | O2 | 41.8° | 56.9° |
O3 | C3 | C2 | H2 | 76.0° | 63.2° |
O3 | C3 | C4 | H4 | 64.4° | 56.9° |
C4 | C3 | C2 | H3 | 119.3° | 119.9° |
C3 | C4 | C5 | H4 | 118.2° | 119.9° |
C3 | C4 | C5 | C6 | 179.7° | 177.6° |
C3 | C4 | C5 | O5 | 58.0° | 57.6° |
C4 | C3 | C2 | C1 | 47.3° | 57.0° |
C4 | C3 | C2 | O2 | 76.8° | 62.9° |
C4 | C3 | C2 | H2 | 165.4° | 176.9° |
C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | H5 | 62.7° | 62.4° |
C2 | C3 | C4 | C5 | 63.8° | 57.0° |
C3 | C2 | C1 | O2 | 123.5° | 119.9° |
C3 | C2 | C1 | H2 | 118.5° | 120.0° |
C3 | C2 | O2 | H2 | 117.0° | 120.2° |
C3 | C2 | C1 | O5 | 26.3° | 57.6° |
C3 | C2 | C1 | O1 | 150.1° | 177.6° |
C3 | C2 | C1 | H1 | 94.0° | 62.4° |
C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
C2 | C3 | O3 | HO3 | 61.8° | 60.4° |
C2 | C3 | C4 | H4 | 54.4° | 62.9° |
C4 | C5 | C6 | O5 | 123.4° | 119.9° |
C4 | C5 | C6 | H5 | 117.7° | 120.0° |
C4 | C5 | O5 | H5 | 119.8° | 120.0° |
C4 | C5 | C6 | O6 | 169.5° | 60.0° |
C4 | C5 | C6 | C7 | 70.5° | 180.0° |
C4 | C5 | O5 | C1 | 36.2° | 61.2° |
C5 | C4 | C3 | H3 | 55.7° | 62.9° |
C5 | C4 | O4 | HO4 | 58.5° | 179.7° |
C4 | C5 | C6 | H6 | 48.5° | 60.0° |
C6 | C5 | O5 | H5 | 117.8° | 120.0° |
C5 | C6 | O6 | C7 | 122.0° | 119.9° |
C5 | C6 | O6 | H6 | 119.9° | 120.0° |
C5 | C6 | C7 | H6 | 119.0° | 119.9° |
C6 | C5 | O5 | C1 | 158.6° | 178.9° |
C5 | C6 | C7 | O7 | 160.7° | 175.0° |
C6 | C5 | C4 | H4 | 61.5° | 57.7° |
C5 | C6 | O6 | HO6 | 160.0° | 60.0° |
C5 | C6 | C7 | H71 | 40.7° | 55.0° |
C5 | C6 | C7 | H72 | 79.3° | 65.0° |
O5 | C5 | C6 | O6 | 67.1° | 179.9° |
O5 | C5 | C6 | C7 | 52.9° | 60.1° |
C5 | O5 | C1 | C2 | 20.7° | 61.2° |
C5 | O5 | C1 | O1 | 145.2° | 178.8° |
C5 | O5 | C1 | H1 | 99.0° | 58.8° |
O5 | C5 | C4 | H4 | 60.2° | 62.3° |
O5 | C5 | C6 | H6 | 171.9° | 59.9° |
O6 | C6 | C7 | H6 | 119.3° | 120.1° |
O6 | C6 | C7 | O7 | 77.7° | 65.0° |
O6 | C6 | C5 | H5 | 51.8° | 60.0° |
O6 | C6 | C7 | H71 | 162.4° | 175.0° |
O6 | C6 | C7 | H72 | 42.3° | 55.0° |
C6 | C7 | O7 | H71 | 120.0° | 120.0° |
C6 | C7 | O7 | H72 | 120.0° | 120.0° |
C6 | C7 | O7 | P2 | 95.8° | 180.0° |
C7 | C6 | C5 | H5 | 171.8° | 60.0° |
C7 | C6 | O6 | HO6 | 38.0° | 59.9° |
C6 | C7 | H71 | H72 | 120.0° | 120.0° |
C1 | C2 | O2 | H2 | 117.0° | 120.1° |
C2 | C1 | O5 | O1 | 124.5° | 120.0° |
C2 | C1 | O5 | H1 | 119.7° | 120.0° |
C2 | C1 | O1 | H1 | 114.9° | 120.0° |
C2 | C1 | O1 | P1 | 146.2° | 150.1° |
C1 | C2 | O2 | HO2 | 54.0° | 60.0° |
C1 | C2 | C3 | H3 | 72.1° | 62.9° |
O2 | C2 | C1 | O5 | 97.2° | 62.3° |
O2 | C2 | C1 | O1 | 26.6° | 57.7° |
O2 | C2 | C1 | H1 | 142.5° | 177.7° |
O2 | C2 | C3 | H3 | 163.9° | 177.2° |
O5 | C1 | O1 | H1 | 115.6° | 120.0° |
O5 | C1 | O1 | P1 | 84.3° | 90.0° |
O5 | C1 | C2 | H2 | 144.8° | 177.6° |
C1 | O5 | C5 | H5 | 83.6° | 58.8° |
OP6 | P2 | O7 | C7 | 58.7° | 54.9° |
OP6 | P2 | O7 | OP4 | 119.9° | 120.0° |
OP6 | P2 | O7 | OP5 | 120.3° | 120.0° |
OP6 | P2 | OP4 | OP5 | 120.0° | 120.0° |
OP6 | P2 | OP4 | H13 | 0.0° | 180.0° |
OP6 | P2 | OP5 | H14 | 0.0° | 60.0° |
C1 | O1 | P1 | OP2 | 15.7° | 55.0° |
C1 | O1 | P1 | OP1 | 103.7° | 65.0° |
C1 | O1 | P1 | OP3 | 135.7° | 175.0° |
O1 | C1 | C2 | H2 | 91.4° | 62.4° |
C7 | O7 | P2 | OP4 | 178.6° | 65.0° |
C7 | O7 | P2 | OP5 | 61.6° | 175.0° |
O7 | C7 | C6 | H6 | 41.7° | 55.1° |
O7 | C7 | H71 | H72 | 120.0° | 120.0° |
O7 | P2 | OP4 | OP5 | 120.7° | 120.0° |
P2 | O7 | C7 | H71 | 144.2° | 60.0° |
P2 | O7 | C7 | H72 | 24.2° | 60.1° |
O7 | P2 | OP4 | H13 | 119.3° | 60.0° |
O7 | P2 | OP5 | H14 | 119.7° | 180.0° |
OP4 | P2 | OP5 | H14 | 120.1° | 60.0° |
OP5 | P2 | OP4 | H13 | 120.0° | 60.0° |
OP2 | P1 | O1 | OP1 | 119.4° | 120.0° |
OP2 | P1 | O1 | OP3 | 120.0° | 120.0° |
OP2 | P1 | OP1 | OP3 | 118.9° | 120.0° |
OP2 | P1 | OP1 | H15 | 0.0° | 180.0° |
OP2 | P1 | OP3 | H16 | 0.0° | 60.0° |
O1 | P1 | OP1 | OP3 | 121.5° | 120.0° |
P1 | O1 | C1 | H1 | 31.3° | 30.0° |
O1 | P1 | OP1 | H15 | 119.6° | 60.0° |
O1 | P1 | OP3 | H16 | 120.1° | 180.0° |
OP1 | P1 | OP3 | H16 | 118.6° | 60.0° |
OP3 | P1 | OP1 | H15 | 118.9° | 60.0° |
H1 | C1 | C2 | H2 | 24.5° | 57.6° |
H2 | C2 | O2 | HO2 | 63.0° | 60.1° |
H2 | C2 | C3 | H3 | 46.1° | 57.0° |
H3 | C3 | O3 | HO3 | 59.4° | 59.8° |
H3 | C3 | C4 | H4 | 173.9° | 177.2° |
H4 | C4 | O4 | HO4 | 61.0° | 60.2° |
H4 | C4 | C5 | H5 | 179.1° | 177.7° |
H5 | C5 | C6 | H6 | 69.2° | 179.9° |
H6 | C6 | O6 | HO6 | 80.2° | 180.0° |
H6 | C6 | C7 | H71 | 78.3° | 64.9° |
H6 | C6 | C7 | H72 | 161.7° | 175.0° |