GE6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O08 | P01 | doub | 1.48Å | 1.52Å | |
O06 | P01 | sing | 1.61Å | 1.65Å | |
O06 | C05 | sing | 1.43Å | 1.33Å | |
C04 | O01 | sing | 1.44Å | 1.28Å | |
C04 | C05 | sing | 1.53Å | 1.56Å | |
C04 | C01 | sing | 1.54Å | 1.58Å | |
O01 | C03 | sing | 1.44Å | 1.61Å | |
O02 | C02 | sing | 1.43Å | 1.51Å | |
O03 | C01 | sing | 1.43Å | 1.38Å | |
P01 | O07 | sing | 1.61Å | 1.67Å | |
P01 | O09 | sing | 1.61Å | 1.53Å | |
O07 | P02 | sing | 1.61Å | 1.70Å | |
C01 | C02 | sing | 1.55Å | 1.49Å | |
C03 | C02 | sing | 1.54Å | 1.35Å | |
C03 | N02 | sing | 1.47Å | 1.43Å | |
O13 | P02 | doub | 1.48Å | 1.56Å | |
O15 | P03 | doub | 1.48Å | 1.51Å | |
P02 | O10 | sing | 1.61Å | 1.68Å | |
P02 | O14 | sing | 1.61Å | 1.49Å | |
N02 | C06 | sing | 1.35Å | 1.34Å | |
N02 | C10 | sing | 1.35Å | 1.33Å | |
O05 | C10 | doub | 1.22Å | 1.49Å | |
C06 | C07 | doub | 1.37Å | 1.39Å | |
O10 | P03 | sing | 1.61Å | 1.66Å | |
C10 | C08 | sing | 1.46Å | 1.40Å | |
P03 | O12 | sing | 1.61Å | 1.50Å | |
P03 | O11 | sing | 1.61Å | 1.44Å | |
C07 | F01 | sing | 1.35Å | 1.37Å | |
C07 | N03 | sing | 1.32Å | 1.33Å | |
C08 | N03 | doub | 1.33Å | 1.33Å | |
C08 | C09 | sing | 1.47Å | 1.57Å | |
N01 | C09 | sing | 1.35Å | 1.52Å | |
C09 | O04 | doub | 1.22Å | 1.19Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C02 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.08Å | 1.08Å | |
N01 | H10 | sing | 0.97Å | 1.00Å | |
N01 | H11 | sing | 0.97Å | 1.00Å | |
O02 | H12 | sing | 0.97Å | 0.95Å | |
O03 | H13 | sing | 0.97Å | 0.95Å | |
O09 | H14 | sing | 0.97Å | 0.95Å | |
O11 | H15 | sing | 0.97Å | 0.95Å | |
O12 | H16 | sing | 0.97Å | 0.95Å | |
O14 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O08 | P01 | O06 | 110.2° | 109.5° |
O08 | P01 | O07 | 109.0° | 109.5° |
O08 | P01 | O09 | 109.0° | 109.5° |
P01 | O06 | C05 | 116.0° | 123.0° |
O06 | P01 | O07 | 109.7° | 109.5° |
O06 | P01 | O09 | 109.2° | 109.4° |
O06 | C05 | C04 | 110.3° | 109.5° |
O06 | C05 | H5 | 109.3° | 109.5° |
O06 | C05 | H6 | 109.3° | 109.5° |
O01 | C04 | C05 | 109.8° | 110.4° |
O01 | C04 | C01 | 106.2° | 104.8° |
C04 | O01 | C03 | 109.7° | 105.3° |
O01 | C04 | H4 | 114.0° | 110.4° |
C05 | C04 | C01 | 107.8° | 110.4° |
C05 | C04 | H4 | 109.5° | 110.3° |
C04 | C05 | H5 | 109.3° | 109.4° |
C04 | C05 | H6 | 109.3° | 109.5° |
C04 | C01 | O03 | 109.1° | 110.6° |
C04 | C01 | C02 | 105.5° | 104.0° |
C04 | C01 | H1 | 109.1° | 110.5° |
C01 | C04 | H4 | 109.3° | 110.5° |
O01 | C03 | C02 | 107.0° | 104.8° |
O01 | C03 | N02 | 111.2° | 110.4° |
O01 | C03 | H3 | 107.6° | 110.5° |
O02 | C02 | C01 | 109.1° | 110.5° |
O02 | C02 | C03 | 110.3° | 110.6° |
O02 | C02 | H2 | 109.4° | 110.4° |
C02 | O02 | H12 | 109.5° | 114.0° |
O03 | C01 | C02 | 110.5° | 110.5° |
O03 | C01 | H1 | 112.1° | 110.4° |
C01 | O03 | H13 | 109.5° | 114.0° |
O07 | P01 | O09 | 109.7° | 109.5° |
P01 | O07 | P02 | 122.7° | 134.0° |
P01 | O09 | H14 | 109.5° | 114.1° |
O07 | P02 | O13 | 110.0° | 109.5° |
O07 | P02 | O10 | 109.6° | 109.4° |
O07 | P02 | O14 | 108.9° | 109.5° |
C01 | C02 | C03 | 106.2° | 104.1° |
C02 | C01 | H1 | 110.3° | 110.5° |
C01 | C02 | H2 | 109.8° | 110.5° |
C02 | C03 | N02 | 109.9° | 110.4° |
C03 | C02 | H2 | 112.0° | 110.5° |
C02 | C03 | H3 | 111.2° | 110.4° |
C03 | N02 | C06 | 119.4° | 120.3° |
C03 | N02 | C10 | 119.6° | 120.3° |
N02 | C03 | H3 | 109.9° | 110.3° |
O13 | P02 | O10 | 109.4° | 109.4° |
O13 | P02 | O14 | 109.5° | 109.5° |
O15 | P03 | O10 | 109.4° | 109.5° |
O15 | P03 | O12 | 110.1° | 109.5° |
O15 | P03 | O11 | 109.9° | 109.5° |
O10 | P02 | O14 | 109.4° | 109.5° |
P02 | O10 | P03 | 122.8° | 134.0° |
P02 | O14 | H17 | 109.5° | 113.9° |
C06 | N02 | C10 | 121.0° | 119.3° |
N02 | C06 | C07 | 119.8° | 120.8° |
N02 | C06 | H7 | 120.1° | 119.6° |
N02 | C10 | O05 | 120.9° | 120.7° |
N02 | C10 | C08 | 118.8° | 118.6° |
O05 | C10 | C08 | 120.2° | 120.7° |
C06 | C07 | F01 | 120.2° | 119.2° |
C06 | C07 | N03 | 119.2° | 121.5° |
C07 | C06 | H7 | 120.1° | 119.6° |
O10 | P03 | O12 | 108.6° | 109.5° |
O10 | P03 | O11 | 108.9° | 109.5° |
C10 | C08 | N03 | 120.0° | 119.1° |
C10 | C08 | C09 | 120.4° | 120.5° |
O12 | P03 | O11 | 109.9° | 109.5° |
P03 | O12 | H16 | 109.5° | 114.0° |
P03 | O11 | H15 | 109.5° | 114.0° |
F01 | C07 | N03 | 120.6° | 119.3° |
C07 | N03 | C08 | 121.2° | 120.6° |
N03 | C08 | C09 | 119.6° | 120.4° |
C08 | C09 | N01 | 120.7° | 120.0° |
C08 | C09 | O04 | 118.9° | 120.0° |
N01 | C09 | O04 | 120.4° | 120.0° |
C09 | N01 | H10 | 120.0° | 120.0° |
C09 | N01 | H11 | 120.0° | 119.9° |
H5 | C05 | H6 | 109.4° | 109.5° |
H10 | N01 | H11 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O08 | P01 | O06 | O07 | 120.0° | 120.1° |
O08 | P01 | O06 | O09 | 119.7° | 120.0° |
O08 | P01 | O06 | C05 | 150.2° | 55.0° |
O08 | P01 | O07 | O09 | 119.3° | 120.0° |
O08 | P01 | O07 | P02 | 174.2° | 39.9° |
O08 | P01 | O09 | H14 | 0.0° | 180.0° |
P01 | O06 | C05 | C04 | 169.1° | 180.0° |
O06 | P01 | O07 | O09 | 120.0° | 119.9° |
O06 | P01 | O07 | P02 | 65.1° | 160.0° |
P01 | O06 | C05 | H5 | 70.8° | 60.0° |
P01 | O06 | C05 | H6 | 48.9° | 60.0° |
O06 | P01 | O09 | H14 | 120.4° | 60.0° |
O06 | C05 | C04 | O01 | 127.7° | 66.4° |
O06 | C05 | C04 | H5 | 120.1° | 120.0° |
O06 | C05 | C04 | H6 | 120.1° | 120.0° |
O06 | C05 | C04 | C01 | 116.9° | 178.2° |
C05 | O06 | P01 | O07 | 89.8° | 175.0° |
C05 | O06 | P01 | O09 | 30.5° | 65.0° |
O06 | C05 | C04 | H4 | 1.8° | 55.8° |
O06 | C05 | H5 | H6 | 119.6° | 120.0° |
O01 | C04 | C05 | C01 | 115.3° | 115.4° |
O01 | C04 | C05 | H4 | 125.9° | 122.3° |
O01 | C04 | C01 | H4 | 123.4° | 118.9° |
O01 | C04 | C01 | O03 | 135.2° | 142.7° |
O01 | C04 | C01 | C02 | 16.4° | 24.0° |
C04 | O01 | C03 | C02 | 11.2° | 40.5° |
C04 | O01 | C03 | N02 | 108.8° | 159.3° |
O01 | C04 | C01 | H1 | 102.1° | 94.7° |
C04 | O01 | C03 | H3 | 130.8° | 78.4° |
O01 | C04 | C05 | H5 | 7.6° | 173.6° |
O01 | C04 | C05 | H6 | 112.1° | 53.6° |
C05 | C04 | C01 | H4 | 118.9° | 122.3° |
C05 | C04 | O01 | C03 | 120.2° | 159.3° |
C05 | C04 | C01 | O03 | 107.1° | 98.5° |
C05 | C04 | C01 | C02 | 134.1° | 142.8° |
C05 | C04 | C01 | H1 | 15.6° | 24.1° |
C04 | C05 | H5 | H6 | 119.6° | 120.0° |
C01 | C04 | O01 | C03 | 3.9° | 40.5° |
C04 | C01 | C02 | O02 | 95.3° | 118.8° |
C04 | C01 | O03 | C02 | 115.6° | 114.7° |
C04 | C01 | O03 | H1 | 120.9° | 122.7° |
C04 | C01 | C02 | H1 | 117.7° | 118.7° |
C04 | C01 | C02 | C03 | 23.6° | 0.0° |
C04 | C01 | C02 | H2 | 144.8° | 118.7° |
C01 | C04 | C05 | H5 | 122.9° | 58.1° |
C01 | C04 | C05 | H6 | 3.2° | 61.8° |
C04 | C01 | O03 | H13 | 180.0° | 176.2° |
O01 | C03 | C02 | O02 | 96.9° | 142.7° |
O01 | C03 | C02 | C01 | 21.1° | 24.0° |
O01 | C03 | C02 | N02 | 120.8° | 118.8° |
O01 | C03 | C02 | H3 | 117.3° | 119.0° |
O01 | C03 | N02 | H3 | 119.0° | 122.4° |
O01 | C03 | N02 | C06 | 23.5° | 50.4° |
O01 | C03 | N02 | C10 | 157.3° | 129.6° |
O01 | C03 | C02 | H2 | 140.9° | 94.7° |
C03 | O01 | C04 | H4 | 116.4° | 78.4° |
O02 | C02 | C01 | O03 | 22.5° | 0.0° |
O02 | C02 | C01 | C03 | 118.9° | 118.8° |
O02 | C02 | C01 | H2 | 119.9° | 122.5° |
O02 | C02 | C03 | H2 | 122.1° | 122.6° |
O02 | C02 | C03 | N02 | 142.3° | 98.5° |
O02 | C02 | C01 | H1 | 147.0° | 122.5° |
O02 | C02 | C03 | H3 | 20.4° | 23.7° |
O03 | C01 | C02 | H1 | 124.5° | 122.5° |
O03 | C01 | C02 | C03 | 141.4° | 118.8° |
O03 | C01 | C02 | H2 | 97.4° | 122.5° |
O03 | C01 | C04 | H4 | 11.8° | 23.8° |
P01 | O07 | P02 | O13 | 92.0° | 40.1° |
P01 | O07 | P02 | O10 | 147.7° | 160.0° |
P01 | O07 | P02 | O14 | 28.0° | 79.9° |
O07 | P01 | O09 | H14 | 119.4° | 59.9° |
O09 | P01 | O07 | P02 | 54.8° | 80.1° |
O07 | P02 | O13 | O10 | 120.4° | 120.0° |
O07 | P02 | O13 | O14 | 119.7° | 120.0° |
O07 | P02 | O10 | O14 | 119.4° | 120.0° |
O07 | P02 | O10 | P03 | 40.3° | 165.0° |
O07 | P02 | O14 | H17 | 120.3° | 60.0° |
C01 | C02 | C03 | H2 | 119.8° | 118.7° |
C01 | C02 | C03 | N02 | 99.7° | 142.8° |
C01 | C02 | C03 | H3 | 138.4° | 95.0° |
C02 | C01 | C04 | H4 | 106.9° | 94.9° |
C01 | C02 | O02 | H12 | 180.0° | 61.5° |
C02 | C01 | O03 | H13 | 64.4° | 61.5° |
C02 | C03 | N02 | H3 | 122.7° | 122.2° |
C02 | C03 | N02 | C06 | 94.8° | 65.0° |
C02 | C03 | N02 | C10 | 84.4° | 115.0° |
C03 | C02 | C01 | H1 | 94.1° | 118.7° |
C03 | C02 | O02 | H12 | 63.7° | 176.2° |
C03 | N02 | C06 | C10 | 179.2° | 180.0° |
C03 | N02 | C10 | O05 | 0.6° | 0.2° |
C03 | N02 | C06 | C07 | 179.6° | 180.0° |
C03 | N02 | C10 | C08 | 179.5° | 179.6° |
N02 | C03 | C02 | H2 | 20.2° | 24.1° |
C03 | N02 | C06 | H7 | 0.5° | 0.2° |
O13 | P02 | O10 | O14 | 120.0° | 120.0° |
O13 | P02 | O10 | P03 | 161.0° | 45.0° |
O13 | P02 | O14 | H17 | 0.0° | 180.0° |
O15 | P03 | O10 | P02 | 52.9° | 45.0° |
O15 | P03 | O10 | O12 | 120.2° | 120.0° |
O15 | P03 | O10 | O11 | 120.1° | 120.0° |
O15 | P03 | O12 | O11 | 121.2° | 120.0° |
O15 | P03 | O11 | H15 | 0.0° | 60.0° |
O15 | P03 | O12 | H16 | 0.0° | 180.0° |
P02 | O10 | P03 | O12 | 173.1° | 75.0° |
P02 | O10 | P03 | O11 | 67.3° | 165.0° |
O10 | P02 | O14 | H17 | 119.9° | 60.0° |
O14 | P02 | O10 | P03 | 79.0° | 74.9° |
C06 | N02 | C10 | O05 | 179.8° | 179.7° |
N02 | C06 | C07 | H7 | 180.0° | 179.7° |
C06 | N02 | C10 | C08 | 0.3° | 0.4° |
N02 | C06 | C07 | F01 | 179.8° | 179.7° |
N02 | C06 | C07 | N03 | 0.2° | 0.3° |
C06 | N02 | C03 | H3 | 142.5° | 172.8° |
N02 | C10 | O05 | C08 | 179.9° | 179.3° |
C10 | N02 | C06 | C07 | 0.4° | 0.0° |
N02 | C10 | C08 | N03 | 0.1° | 0.6° |
N02 | C10 | C08 | C09 | 179.9° | 179.8° |
C10 | N02 | C03 | H3 | 38.3° | 7.2° |
C10 | N02 | C06 | H7 | 179.7° | 179.8° |
O05 | C10 | C08 | N03 | 180.0° | 180.0° |
O05 | C10 | C08 | C09 | 0.1° | 0.4° |
C06 | C07 | F01 | N03 | 180.0° | 180.0° |
C06 | C07 | N03 | C08 | 0.0° | 0.0° |
O10 | P03 | O12 | O11 | 119.0° | 120.0° |
O10 | P03 | O11 | H15 | 119.9° | 180.0° |
O10 | P03 | O12 | H16 | 119.8° | 60.0° |
C10 | C08 | N03 | C07 | 0.1° | 0.4° |
C10 | C08 | N03 | C09 | 179.9° | 179.6° |
C10 | C08 | C09 | N01 | 1.2° | 179.6° |
C10 | C08 | C09 | O04 | 178.5° | 0.4° |
O12 | P03 | O11 | H15 | 121.3° | 60.0° |
O11 | P03 | O12 | H16 | 121.2° | 60.0° |
F01 | C07 | N03 | C08 | 180.0° | 180.0° |
F01 | C07 | C06 | H7 | 0.2° | 0.0° |
C07 | N03 | C08 | C09 | 180.0° | 180.0° |
N03 | C07 | C06 | H7 | 179.8° | 180.0° |
N03 | C08 | C09 | N01 | 178.8° | 0.0° |
N03 | C08 | C09 | O04 | 1.6° | 180.0° |
C08 | C09 | N01 | O04 | 179.7° | 180.0° |
C08 | C09 | N01 | H10 | 179.7° | 0.0° |
C08 | C09 | N01 | H11 | 0.3° | 179.9° |
C09 | N01 | H10 | H11 | 180.0° | 180.0° |
O04 | C09 | N01 | H10 | 0.0° | 180.0° |
O04 | C09 | N01 | H11 | 180.0° | 0.0° |
H1 | C01 | C02 | H2 | 27.1° | 0.0° |
H1 | C01 | C04 | H4 | 134.5° | 146.4° |
H1 | C01 | O03 | H13 | 59.0° | 61.1° |
H2 | C02 | C03 | H3 | 101.8° | 146.3° |
H2 | C02 | O02 | H12 | 59.9° | 61.1° |
H4 | C04 | C05 | H5 | 118.3° | 64.2° |
H4 | C04 | C05 | H6 | 122.0° | 175.8° |