Q7V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | sing | 1.47Å | 1.44Å | |
C02 | C03 | sing | 1.53Å | 1.54Å | |
O13 | B11 | sing | 1.37Å | 1.48Å | |
C03 | C04 | sing | 1.53Å | 1.52Å | |
C04 | N05 | sing | 1.47Å | 1.49Å | |
B11 | O12 | sing | 1.37Å | 1.46Å | |
B11 | O14 | sing | 1.37Å | 1.47Å | |
B11 | C10 | sing | 1.60Å | 1.58Å | |
C09 | C10 | sing | 1.53Å | 1.51Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
C07 | C08 | sing | 1.53Å | 1.52Å | |
C07 | C06 | sing | 1.53Å | 1.52Å | |
N05 | C06 | sing | 1.47Å | 1.46Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
N01 | H17 | sing | 1.01Å | 1.00Å | |
N01 | H18 | sing | 1.01Å | 1.00Å | |
N05 | H20 | sing | 1.01Å | 1.00Å | |
O12 | H22 | sing | 0.97Å | 0.95Å | |
O14 | H24 | sing | 0.97Å | 0.95Å | |
O13 | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | C03 | 114.4° | 109.4° |
N01 | C02 | H3 | 108.2° | 109.4° |
N01 | C02 | H4 | 108.2° | 109.5° |
C02 | N01 | H17 | 109.5° | 111.0° |
C02 | N01 | H18 | 109.5° | 111.0° |
C02 | C03 | C04 | 109.7° | 109.5° |
C03 | C02 | H3 | 108.2° | 109.5° |
C03 | C02 | H4 | 108.2° | 109.5° |
C02 | C03 | H5 | 109.4° | 109.5° |
C02 | C03 | H6 | 109.4° | 109.5° |
O13 | B11 | O12 | 107.7° | 109.5° |
O13 | B11 | O14 | 108.4° | 109.4° |
O13 | B11 | C10 | 110.4° | 109.5° |
B11 | O13 | H19 | 109.5° | 113.9° |
C03 | C04 | N05 | 119.2° | 109.5° |
C04 | C03 | H5 | 109.4° | 109.5° |
C04 | C03 | H6 | 109.4° | 109.4° |
C03 | C04 | H7 | 107.0° | 109.5° |
C03 | C04 | H8 | 107.0° | 109.4° |
C04 | N05 | C06 | 123.7° | 111.0° |
N05 | C04 | H7 | 107.0° | 109.5° |
N05 | C04 | H8 | 107.0° | 109.5° |
C04 | N05 | H20 | 105.8° | 111.0° |
O12 | B11 | O14 | 108.7° | 109.5° |
O12 | B11 | C10 | 110.9° | 109.5° |
B11 | O12 | H22 | 109.5° | 114.0° |
O14 | B11 | C10 | 110.6° | 109.5° |
B11 | O14 | H24 | 109.5° | 114.0° |
B11 | C10 | C09 | 112.5° | 109.5° |
B11 | C10 | H1 | 108.7° | 109.5° |
B11 | C10 | H2 | 108.7° | 109.5° |
C10 | C09 | C08 | 117.2° | 109.5° |
C09 | C10 | H1 | 108.7° | 109.5° |
C09 | C10 | H2 | 108.7° | 109.5° |
C10 | C09 | H15 | 107.5° | 109.4° |
C10 | C09 | H16 | 107.5° | 109.5° |
C09 | C08 | C07 | 112.3° | 109.5° |
C09 | C08 | H13 | 108.7° | 109.5° |
C09 | C08 | H14 | 108.7° | 109.4° |
C08 | C09 | H15 | 107.5° | 109.5° |
C08 | C09 | H16 | 107.5° | 109.5° |
C08 | C07 | C06 | 115.2° | 109.5° |
C08 | C07 | H11 | 108.0° | 109.5° |
C08 | C07 | H12 | 108.1° | 109.5° |
C07 | C08 | H13 | 108.8° | 109.5° |
C07 | C08 | H14 | 108.8° | 109.5° |
C07 | C06 | N05 | 117.8° | 109.5° |
C07 | C06 | H9 | 107.4° | 109.4° |
C07 | C06 | H10 | 107.3° | 109.5° |
C06 | C07 | H11 | 108.0° | 109.5° |
C06 | C07 | H12 | 108.0° | 109.5° |
N05 | C06 | H9 | 107.4° | 109.5° |
N05 | C06 | H10 | 107.4° | 109.5° |
C06 | N05 | H20 | 105.8° | 111.1° |
H1 | C10 | H2 | 109.5° | 109.4° |
H3 | C02 | H4 | 109.5° | 109.5° |
H5 | C03 | H6 | 109.5° | 109.5° |
H7 | C04 | H8 | 109.5° | 109.5° |
H9 | C06 | H10 | 109.5° | 109.4° |
H11 | C07 | H12 | 109.5° | 109.4° |
H13 | C08 | H14 | 109.5° | 109.5° |
H15 | C09 | H16 | 109.4° | 109.5° |
H17 | N01 | H18 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | C03 | H3 | 120.7° | 119.9° |
N01 | C02 | C03 | H4 | 120.7° | 120.0° |
N01 | C02 | C03 | C04 | 139.0° | 180.0° |
N01 | C02 | H3 | H4 | 117.7° | 120.0° |
N01 | C02 | C03 | H5 | 101.0° | 60.0° |
N01 | C02 | C03 | H6 | 19.0° | 60.0° |
C02 | N01 | H17 | H18 | 120.0° | 123.9° |
C02 | C03 | C04 | H5 | 120.0° | 120.1° |
C02 | C03 | C04 | H6 | 120.1° | 120.0° |
C02 | C03 | C04 | N05 | 150.8° | 180.0° |
C03 | C02 | H3 | H4 | 117.8° | 120.1° |
C02 | C03 | H5 | H6 | 119.9° | 120.0° |
C02 | C03 | C04 | H7 | 87.9° | 59.9° |
C02 | C03 | C04 | H8 | 29.4° | 60.0° |
C03 | C02 | N01 | H17 | 180.0° | 180.0° |
C03 | C02 | N01 | H18 | 60.0° | 56.1° |
O13 | B11 | O12 | O14 | 117.3° | 120.0° |
O13 | B11 | O12 | C10 | 120.9° | 120.0° |
O13 | B11 | O14 | C10 | 121.2° | 120.0° |
O13 | B11 | C10 | C09 | 39.9° | 60.0° |
O13 | B11 | C10 | H1 | 80.5° | 179.9° |
O13 | B11 | C10 | H2 | 160.4° | 60.0° |
O13 | B11 | O12 | H22 | 180.0° | 60.0° |
O13 | B11 | O14 | H24 | 180.0° | 180.0° |
C03 | C04 | N05 | H7 | 121.4° | 120.1° |
C03 | C04 | N05 | H8 | 121.4° | 119.9° |
C03 | C04 | N05 | C06 | 90.1° | 180.0° |
C04 | C03 | C02 | H3 | 18.3° | 60.1° |
C04 | C03 | C02 | H4 | 100.3° | 60.0° |
C04 | C03 | H5 | H6 | 119.9° | 119.9° |
C03 | C04 | H7 | H8 | 115.6° | 119.9° |
C03 | C04 | N05 | H20 | 148.0° | 55.9° |
C04 | N05 | C06 | C07 | 62.9° | 180.0° |
C04 | N05 | C06 | H20 | 121.9° | 124.0° |
N05 | C04 | C03 | H5 | 30.8° | 59.9° |
N05 | C04 | C03 | H6 | 89.2° | 60.0° |
N05 | C04 | H7 | H8 | 115.6° | 120.0° |
C04 | N05 | C06 | H9 | 175.9° | 60.0° |
C04 | N05 | C06 | H10 | 58.3° | 59.9° |
O12 | B11 | O14 | C10 | 122.0° | 120.0° |
O12 | B11 | C10 | C09 | 159.2° | 60.0° |
O12 | B11 | C10 | H1 | 38.8° | 60.1° |
O12 | B11 | C10 | H2 | 80.4° | 180.0° |
O12 | B11 | O14 | H24 | 63.2° | 60.0° |
O12 | B11 | O13 | H19 | 180.0° | 60.0° |
O14 | B11 | C10 | C09 | 80.1° | 180.0° |
O14 | B11 | C10 | H1 | 159.5° | 59.9° |
O14 | B11 | C10 | H2 | 40.4° | 60.0° |
O14 | B11 | O12 | H22 | 62.7° | 60.0° |
O14 | B11 | O13 | H19 | 62.5° | 180.0° |
B11 | C10 | C09 | H1 | 120.5° | 120.0° |
B11 | C10 | C09 | H2 | 120.4° | 120.0° |
B11 | C10 | C09 | C08 | 174.0° | 180.0° |
B11 | C10 | H1 | H2 | 118.6° | 120.0° |
B11 | C10 | C09 | H15 | 52.9° | 60.0° |
B11 | C10 | C09 | H16 | 64.9° | 60.0° |
C10 | B11 | O12 | H22 | 59.1° | 180.0° |
C10 | B11 | O14 | H24 | 58.8° | 60.0° |
C10 | B11 | O13 | H19 | 58.8° | 60.0° |
C10 | C09 | C08 | H15 | 121.1° | 120.0° |
C10 | C09 | C08 | H16 | 121.1° | 120.0° |
C10 | C09 | C08 | C07 | 140.7° | NaN° |
C09 | C10 | H1 | H2 | 118.6° | 120.0° |
C10 | C09 | C08 | H13 | 20.3° | 60.0° |
C10 | C09 | C08 | H14 | 98.8° | 60.0° |
C10 | C09 | H15 | H16 | 116.5° | 120.0° |
C09 | C08 | C07 | H13 | 120.4° | 120.0° |
C09 | C08 | C07 | H14 | 120.4° | 120.0° |
C09 | C08 | C07 | C06 | 161.0° | 180.0° |
C08 | C09 | C10 | H1 | 65.5° | 60.0° |
C08 | C09 | C10 | H2 | 53.6° | 60.0° |
C09 | C08 | C07 | H11 | 40.2° | 60.0° |
C09 | C08 | C07 | H12 | 78.2° | 60.0° |
C09 | C08 | H13 | H14 | 118.7° | 120.0° |
C08 | C09 | H15 | H16 | 116.5° | 120.0° |
C08 | C07 | C06 | H11 | 120.8° | 120.0° |
C08 | C07 | C06 | H12 | 120.9° | 120.0° |
C08 | C07 | C06 | N05 | 142.2° | 180.0° |
C08 | C07 | C06 | H9 | 21.0° | 60.0° |
C08 | C07 | C06 | H10 | 96.6° | 60.0° |
C08 | C07 | H11 | H12 | 117.4° | 120.0° |
C07 | C08 | H13 | H14 | 118.7° | 120.0° |
C07 | C08 | C09 | H15 | 98.1° | 60.0° |
C07 | C08 | C09 | H16 | 19.6° | 60.0° |
C07 | C06 | N05 | H9 | 121.2° | 120.0° |
C07 | C06 | N05 | H10 | 121.2° | 120.0° |
C07 | C06 | H9 | H10 | 116.2° | 119.9° |
C06 | C07 | H11 | H12 | 117.4° | 120.0° |
C06 | C07 | C08 | H13 | 78.6° | 60.0° |
C06 | C07 | C08 | H14 | 40.6° | 60.0° |
C07 | C06 | N05 | H20 | 175.2° | 56.0° |
C06 | N05 | C04 | H7 | 31.3° | 60.0° |
C06 | N05 | C04 | H8 | 148.6° | 60.0° |
N05 | C06 | H9 | H10 | 116.3° | 120.0° |
N05 | C06 | C07 | H11 | 97.0° | 60.0° |
N05 | C06 | C07 | H12 | 21.3° | 60.0° |
H1 | C10 | C09 | H15 | 173.3° | 180.0° |
H1 | C10 | C09 | H16 | 55.6° | 60.0° |
H2 | C10 | C09 | H15 | 67.6° | 60.0° |
H2 | C10 | C09 | H16 | 174.7° | 180.0° |
H3 | C02 | C03 | H5 | 138.3° | 59.9° |
H3 | C02 | C03 | H6 | 101.8° | 180.0° |
H3 | C02 | N01 | H17 | 59.3° | 60.1° |
H3 | C02 | N01 | H18 | 60.7° | 176.0° |
H4 | C02 | C03 | H5 | 19.8° | 180.0° |
H4 | C02 | C03 | H6 | 139.7° | 59.9° |
H4 | C02 | N01 | H17 | 59.2° | 60.0° |
H4 | C02 | N01 | H18 | 179.2° | 63.9° |
H5 | C03 | C04 | H7 | 152.1° | 180.0° |
H5 | C03 | C04 | H8 | 90.6° | 60.1° |
H6 | C03 | C04 | H7 | 32.2° | 60.1° |
H6 | C03 | C04 | H8 | 149.5° | 180.0° |
H7 | C04 | N05 | H20 | 90.6° | 176.0° |
H8 | C04 | N05 | H20 | 26.6° | 64.0° |
H9 | C06 | C07 | H11 | 141.8° | 60.0° |
H9 | C06 | C07 | H12 | 99.8° | 180.0° |
H9 | C06 | N05 | H20 | 54.0° | 64.0° |
H10 | C06 | C07 | H11 | 24.2° | 180.0° |
H10 | C06 | C07 | H12 | 142.5° | 60.1° |
H10 | C06 | N05 | H20 | 63.7° | 176.1° |
H11 | C07 | C08 | H13 | 160.6° | 180.0° |
H11 | C07 | C08 | H14 | 80.3° | 60.0° |
H12 | C07 | C08 | H13 | 42.2° | 60.0° |
H12 | C07 | C08 | H14 | 161.4° | 179.9° |
H13 | C08 | C09 | H15 | 141.4° | 60.0° |
H13 | C08 | C09 | H16 | 100.9° | 180.0° |
H14 | C08 | C09 | H15 | 22.3° | 179.9° |
H14 | C08 | C09 | H16 | 140.0° | 60.0° |