1Y7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.35Å | |
C2 | C3 | sing | 1.53Å | 1.67Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.48Å | |
O1 | C1 | sing | 1.43Å | 1.46Å | |
C4 | C5 | sing | 1.53Å | 1.43Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
O9 | P1 | doub | 1.48Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.36Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
O8 | P1 | sing | 1.61Å | 1.50Å | |
O7 | P1 | sing | 1.61Å | 1.69Å | |
O7 | C7 | sing | 1.43Å | 1.46Å | |
P1 | O10 | sing | 1.61Å | 1.48Å | |
O6 | C6 | sing | 1.43Å | 1.41Å | |
C6 | C7 | sing | 1.53Å | 1.50Å | |
O8 | H1 | sing | 0.97Å | 0.95Å | |
O10 | H2 | sing | 0.97Å | 0.95Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
O6 | H6 | sing | 0.97Å | 0.95Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
O5 | H8 | sing | 0.97Å | 0.95Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
O4 | H10 | sing | 0.97Å | 0.95Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
O3 | H12 | sing | 0.97Å | 0.95Å | |
C2 | H13 | sing | 1.09Å | 1.10Å | |
O2 | H14 | sing | 0.97Å | 0.95Å | |
C1 | H15 | sing | 1.09Å | 1.10Å | |
C1 | H16 | sing | 1.09Å | 1.10Å | |
O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 97.9° | 109.5° |
O2 | C2 | C1 | 115.1° | 109.5° |
O2 | C2 | H13 | 114.7° | 109.4° |
C2 | O2 | H14 | 109.5° | 114.0° |
C3 | C2 | C1 | 106.4° | 109.5° |
C2 | C3 | C4 | 117.3° | 109.5° |
C2 | C3 | O3 | 106.4° | 109.5° |
C2 | C3 | H11 | 107.0° | 109.5° |
C3 | C2 | H13 | 109.7° | 109.5° |
C2 | C1 | O1 | 106.4° | 109.5° |
C1 | C2 | H13 | 111.6° | 109.5° |
C2 | C1 | H15 | 110.2° | 109.4° |
C2 | C1 | H16 | 110.2° | 109.5° |
C4 | C3 | O3 | 108.3° | 109.5° |
C3 | C4 | C5 | 116.3° | 109.5° |
C3 | C4 | O4 | 110.8° | 109.4° |
C3 | C4 | H9 | 106.6° | 109.5° |
C4 | C3 | H11 | 108.5° | 109.4° |
O3 | C3 | H11 | 109.2° | 109.5° |
C3 | O3 | H12 | 109.5° | 114.0° |
O1 | C1 | H15 | 110.2° | 109.5° |
O1 | C1 | H16 | 110.2° | 109.5° |
C1 | O1 | H17 | 109.5° | 114.0° |
C5 | C4 | O4 | 106.8° | 109.5° |
C4 | C5 | O5 | 109.0° | 109.5° |
C4 | C5 | C6 | 117.2° | 109.4° |
C4 | C5 | H7 | 106.5° | 109.5° |
C5 | C4 | H9 | 108.0° | 109.5° |
O4 | C4 | H9 | 108.0° | 109.5° |
C4 | O4 | H10 | 109.5° | 114.0° |
O9 | P1 | O8 | 115.8° | 109.5° |
O9 | P1 | O7 | 99.8° | 109.5° |
O9 | P1 | O10 | 110.2° | 109.5° |
O5 | C5 | C6 | 110.6° | 109.4° |
O5 | C5 | H7 | 107.3° | 109.5° |
C5 | O5 | H8 | 109.5° | 114.1° |
C5 | C6 | O6 | 112.6° | 109.5° |
C5 | C6 | C7 | 112.4° | 109.5° |
C5 | C6 | H5 | 105.9° | 109.5° |
C6 | C5 | H7 | 105.6° | 109.5° |
O8 | P1 | O7 | 110.1° | 109.4° |
O8 | P1 | O10 | 111.7° | 109.5° |
P1 | O8 | H1 | 109.5° | 114.0° |
P1 | O7 | C7 | 116.0° | 123.0° |
O7 | P1 | O10 | 108.4° | 109.5° |
O7 | C7 | C6 | 110.8° | 109.5° |
O7 | C7 | H3 | 109.1° | 109.5° |
O7 | C7 | H4 | 109.1° | 109.5° |
P1 | O10 | H2 | 109.5° | 114.0° |
O6 | C6 | C7 | 112.3° | 109.4° |
O6 | C6 | H5 | 107.1° | 109.4° |
C6 | O6 | H6 | 109.5° | 114.0° |
C6 | C7 | H3 | 109.2° | 109.5° |
C6 | C7 | H4 | 109.1° | 109.4° |
C7 | C6 | H5 | 106.0° | 109.5° |
H3 | C7 | H4 | 109.5° | 109.5° |
H15 | C1 | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | C1 | 119.2° | 120.1° |
O2 | C2 | C3 | H13 | 119.9° | 119.9° |
O2 | C2 | C1 | H13 | 133.1° | 119.9° |
O2 | C2 | C3 | C4 | 51.8° | 55.0° |
O2 | C2 | C3 | O3 | 173.1° | 65.1° |
O2 | C2 | C1 | O1 | 56.6° | 64.9° |
O2 | C2 | C3 | H11 | 70.3° | 174.9° |
O2 | C2 | C1 | H15 | 62.9° | 55.0° |
O2 | C2 | C1 | H16 | 176.1° | 175.0° |
C3 | C2 | C1 | H13 | 119.7° | 120.0° |
C2 | C3 | C4 | O3 | 120.3° | 120.1° |
C2 | C3 | C4 | H11 | 121.3° | 120.0° |
C2 | C3 | O3 | H11 | 115.2° | 120.0° |
C3 | C2 | C1 | O1 | 163.8° | 175.0° |
C2 | C3 | C4 | C5 | 171.8° | 175.0° |
C2 | C3 | C4 | O4 | 66.1° | 55.0° |
C2 | C3 | C4 | H9 | 51.2° | 65.0° |
C2 | C3 | O3 | H12 | 180.0° | 60.0° |
C3 | C2 | O2 | H14 | 180.0° | 60.0° |
C3 | C2 | C1 | H15 | 44.3° | 65.0° |
C3 | C2 | C1 | H16 | 76.6° | 55.0° |
C1 | C2 | C3 | C4 | 67.4° | 175.1° |
C1 | C2 | C3 | O3 | 53.9° | 55.0° |
C2 | C1 | O1 | H15 | 119.5° | 119.9° |
C2 | C1 | O1 | H16 | 119.5° | 120.1° |
C1 | C2 | C3 | H11 | 170.6° | 65.0° |
C1 | C2 | O2 | H14 | 67.6° | 60.0° |
C2 | C1 | H15 | H16 | 121.4° | 120.0° |
C2 | C1 | O1 | H17 | 180.0° | 179.9° |
C4 | C3 | O3 | H11 | 118.0° | 119.9° |
C3 | C4 | C5 | O4 | 124.2° | 120.0° |
C3 | C4 | C5 | H9 | 119.8° | 120.0° |
C3 | C4 | O4 | H9 | 116.5° | 120.0° |
C3 | C4 | C5 | O5 | 157.6° | 60.1° |
C3 | C4 | C5 | C6 | 75.8° | 180.0° |
C3 | C4 | C5 | H7 | 42.1° | 60.0° |
C3 | C4 | O4 | H10 | 180.0° | 60.0° |
C4 | C3 | O3 | H12 | 53.1° | 60.0° |
C4 | C3 | C2 | H13 | 171.6° | 64.9° |
O3 | C3 | C4 | C5 | 68.0° | 54.9° |
O3 | C3 | C4 | O4 | 54.2° | 65.0° |
O3 | C3 | C4 | H9 | 171.5° | 174.9° |
O3 | C3 | C2 | H13 | 67.1° | 175.0° |
O1 | C1 | C2 | H13 | 76.4° | 55.0° |
O1 | C1 | H15 | H16 | 121.4° | 120.0° |
C5 | C4 | O4 | H9 | 116.0° | 120.0° |
C4 | C5 | O5 | C6 | 130.3° | 119.9° |
C4 | C5 | O5 | H7 | 115.0° | 120.0° |
C4 | C5 | C6 | H7 | 118.4° | 120.0° |
C4 | C5 | C6 | O6 | 78.1° | 60.0° |
C4 | C5 | C6 | C7 | 153.9° | 180.0° |
C4 | C5 | C6 | H5 | 38.6° | 60.0° |
C4 | C5 | O5 | H8 | 180.0° | 60.0° |
C5 | C4 | O4 | H10 | 52.5° | 60.0° |
C5 | C4 | C3 | H11 | 50.5° | 65.0° |
O4 | C4 | C5 | O5 | 78.2° | 180.0° |
O4 | C4 | C5 | C6 | 48.5° | 60.0° |
O4 | C4 | C5 | H7 | 166.4° | 60.0° |
O4 | C4 | C3 | H11 | 172.7° | 175.0° |
O9 | P1 | O8 | O7 | 112.3° | 120.0° |
O9 | P1 | O8 | O10 | 127.2° | 120.0° |
O9 | P1 | O7 | O10 | 115.2° | 120.0° |
O9 | P1 | O7 | C7 | 174.8° | 54.9° |
O9 | P1 | O8 | H1 | 0.0° | 60.0° |
O9 | P1 | O10 | H2 | 0.0° | 180.0° |
O5 | C5 | C6 | H7 | 115.8° | 120.1° |
O5 | C5 | C6 | O6 | 156.1° | 180.0° |
O5 | C5 | C6 | C7 | 28.1° | 60.1° |
O5 | C5 | C6 | H5 | 87.2° | 60.0° |
O5 | C5 | C4 | H9 | 37.8° | 59.9° |
C5 | C6 | C7 | O7 | 61.7° | 175.0° |
C5 | C6 | O6 | C7 | 128.0° | 120.0° |
C5 | C6 | O6 | H5 | 116.0° | 120.0° |
C5 | C6 | C7 | H5 | 115.3° | 120.1° |
C5 | C6 | C7 | H3 | 58.5° | 64.9° |
C5 | C6 | C7 | H4 | 178.1° | 55.0° |
C5 | C6 | O6 | H6 | 180.0° | 60.0° |
C6 | C5 | O5 | H8 | 49.7° | 60.0° |
C6 | C5 | C4 | H9 | 164.5° | 60.0° |
O8 | P1 | O7 | O10 | 122.5° | 120.0° |
O8 | P1 | O7 | C7 | 62.9° | 175.0° |
O8 | P1 | O10 | H2 | 130.2° | 60.0° |
P1 | O7 | C7 | C6 | 139.5° | 180.0° |
O7 | P1 | O8 | H1 | 112.3° | 180.0° |
O7 | P1 | O10 | H2 | 108.2° | 60.0° |
P1 | O7 | C7 | H3 | 19.3° | 59.9° |
P1 | O7 | C7 | H4 | 100.3° | 60.0° |
C7 | O7 | P1 | O10 | 59.6° | 65.0° |
O7 | C7 | C6 | O6 | 66.4° | 65.0° |
O7 | C7 | C6 | H3 | 120.2° | 120.1° |
O7 | C7 | C6 | H4 | 120.2° | 120.0° |
O7 | C7 | H3 | H4 | 119.4° | 120.0° |
O7 | C7 | C6 | H5 | 177.0° | 54.9° |
O10 | P1 | O8 | H1 | 127.3° | 60.1° |
O6 | C6 | C7 | H5 | 116.6° | 119.9° |
O6 | C6 | C7 | H3 | 173.3° | 55.0° |
O6 | C6 | C7 | H4 | 53.7° | 175.0° |
O6 | C6 | C5 | H7 | 40.3° | 60.0° |
C6 | C7 | H3 | H4 | 119.4° | 120.0° |
C7 | C6 | O6 | H6 | 51.9° | 60.0° |
C7 | C6 | C5 | H7 | 87.7° | 60.0° |
H3 | C7 | C6 | H5 | 56.7° | 175.0° |
H4 | C7 | C6 | H5 | 62.8° | 65.0° |
H5 | C6 | O6 | H6 | 64.0° | 180.0° |
H5 | C6 | C5 | H7 | 157.0° | 180.0° |
H7 | C5 | O5 | H8 | 65.0° | 180.0° |
H7 | C5 | C4 | H9 | 77.6° | 180.0° |
H9 | C4 | O4 | H10 | 63.5° | 180.0° |
H9 | C4 | C3 | H11 | 70.0° | 55.0° |
H11 | C3 | O3 | H12 | 64.9° | 180.0° |
H11 | C3 | C2 | H13 | 49.6° | 55.0° |
H13 | C2 | O2 | H14 | 64.0° | 180.0° |
H13 | C2 | C1 | H15 | 164.1° | 175.0° |
H13 | C2 | C1 | H16 | 43.1° | 65.1° |
H15 | C1 | O1 | H17 | 60.5° | 60.0° |
H16 | C1 | O1 | H17 | 60.5° | 60.0° |