Y7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C02 | C08 | doub | 1.31Å | 1.34Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C09 | O10 | sing | 1.43Å | 1.42Å | |
| O10 | P11 | sing | 1.61Å | 1.61Å | |
| O13 | P11 | sing | 1.61Å | 1.61Å | |
| O13 | P32 | sing | 1.61Å | 1.61Å | |
| P11 | O12 | doub | 1.48Å | 1.51Å | |
| P11 | O14 | sing | 1.61Å | 1.51Å | |
| O40 | P32 | doub | 1.48Å | 1.51Å | |
| O36 | P32 | sing | 1.61Å | 1.51Å | |
| P32 | O39 | sing | 1.61Å | 1.51Å | |
| C09 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| O14 | H3 | sing | 0.97Å | 0.95Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| O36 | H17 | sing | 0.97Å | 0.95Å | |
| O39 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 119.8° | 120.0° |
| C01 | C02 | C08 | 120.5° | 120.0° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C03 | C02 | C08 | 119.7° | 120.0° |
| C02 | C03 | C04 | 109.5° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.4° |
| C02 | C03 | H8 | 109.5° | 109.4° |
| C02 | C08 | C09 | 119.5° | 120.0° |
| C02 | C08 | H16 | 120.2° | 120.0° |
| C03 | C04 | C05 | 111.8° | 109.4° |
| C04 | C03 | H7 | 109.5° | 109.5° |
| C04 | C03 | H8 | 109.5° | 109.5° |
| C03 | C04 | H9 | 108.9° | 109.5° |
| C03 | C04 | H10 | 108.9° | 109.5° |
| C04 | C05 | C06 | 110.6° | 109.5° |
| C05 | C04 | H9 | 108.9° | 109.4° |
| C05 | C04 | H10 | 108.9° | 109.5° |
| C04 | C05 | H11 | 109.2° | 109.5° |
| C04 | C05 | H12 | 109.2° | 109.5° |
| C08 | C09 | O10 | 110.0° | 109.5° |
| C08 | C09 | H1 | 109.3° | 109.5° |
| C08 | C09 | H2 | 109.3° | 109.5° |
| C09 | C08 | H16 | 120.3° | 120.0° |
| C06 | C05 | H11 | 109.2° | 109.4° |
| C06 | C05 | H12 | 109.2° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.5° |
| C05 | C06 | H14 | 109.5° | 109.4° |
| C05 | C06 | H15 | 109.5° | 109.5° |
| C09 | O10 | P11 | 119.6° | 123.0° |
| O10 | C09 | H1 | 109.3° | 109.5° |
| O10 | C09 | H2 | 109.3° | 109.5° |
| O10 | P11 | O13 | 109.8° | 109.5° |
| O10 | P11 | O12 | 109.6° | 109.5° |
| O10 | P11 | O14 | 109.0° | 109.5° |
| P11 | O13 | P32 | 119.4° | 134.0° |
| O13 | P11 | O12 | 108.7° | 109.5° |
| O13 | P11 | O14 | 109.2° | 109.5° |
| O13 | P32 | O40 | 108.8° | 109.5° |
| O13 | P32 | O36 | 109.0° | 109.5° |
| O13 | P32 | O39 | 109.0° | 109.4° |
| O12 | P11 | O14 | 110.6° | 109.4° |
| P11 | O14 | H3 | 109.5° | 114.0° |
| O40 | P32 | O36 | 110.4° | 109.5° |
| O40 | P32 | O39 | 110.1° | 109.5° |
| O36 | P32 | O39 | 109.4° | 109.5° |
| P32 | O36 | H17 | 109.5° | 114.0° |
| P32 | O39 | H18 | 109.5° | 114.0° |
| H1 | C09 | H2 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H13 | C06 | H14 | 109.5° | 109.5° |
| H13 | C06 | H15 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C08 | 179.7° | 179.7° |
| C01 | C02 | C03 | C04 | 62.6° | 85.2° |
| C01 | C02 | C08 | C09 | 179.9° | 174.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H7 | 177.4° | 34.8° |
| C01 | C02 | C03 | H8 | 57.4° | 154.8° |
| C01 | C02 | C08 | H16 | 0.1° | 6.0° |
| C02 | C03 | C04 | H7 | 120.0° | 120.0° |
| C02 | C03 | C04 | H8 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 67.8° | 180.0° |
| C03 | C02 | C08 | C09 | 0.3° | 6.3° |
| C03 | C02 | C01 | H4 | 180.0° | 90.0° |
| C03 | C02 | C01 | H5 | 60.0° | 150.0° |
| C03 | C02 | C01 | H6 | 60.0° | 30.0° |
| C02 | C03 | H7 | H8 | 120.0° | 119.9° |
| C02 | C03 | C04 | H9 | 171.8° | 60.0° |
| C02 | C03 | C04 | H10 | 52.5° | 60.0° |
| C03 | C02 | C08 | H16 | 179.7° | 173.8° |
| C08 | C02 | C03 | C04 | 117.7° | 95.1° |
| C02 | C08 | C09 | H16 | 180.0° | 180.0° |
| C02 | C08 | C09 | O10 | 159.4° | 135.4° |
| C02 | C08 | C09 | H1 | 39.3° | 15.4° |
| C02 | C08 | C09 | H2 | 80.5° | 104.6° |
| C08 | C02 | C01 | H4 | 0.3° | 90.3° |
| C08 | C02 | C01 | H5 | 120.3° | 29.8° |
| C08 | C02 | C01 | H6 | 119.7° | 149.7° |
| C08 | C02 | C03 | H7 | 2.4° | 144.9° |
| C08 | C02 | C03 | H8 | 122.3° | 24.9° |
| C03 | C04 | C05 | H9 | 120.3° | 120.0° |
| C03 | C04 | C05 | H10 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 176.8° | 180.0° |
| C04 | C03 | H7 | H8 | 120.0° | 120.1° |
| C03 | C04 | H9 | H10 | 119.0° | 120.1° |
| C03 | C04 | C05 | H11 | 63.1° | 60.1° |
| C03 | C04 | C05 | H12 | 56.6° | 60.0° |
| C04 | C05 | C06 | H11 | 120.2° | 120.0° |
| C04 | C05 | C06 | H12 | 120.2° | 120.1° |
| C05 | C04 | C03 | H7 | 52.2° | 60.1° |
| C05 | C04 | C03 | H8 | 172.2° | 60.0° |
| C05 | C04 | H9 | H10 | 118.9° | 120.0° |
| C04 | C05 | H11 | H12 | 119.5° | 120.1° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | H14 | 60.0° | 60.0° |
| C04 | C05 | C06 | H15 | 60.0° | 59.9° |
| C08 | C09 | O10 | H1 | 120.1° | 120.0° |
| C08 | C09 | O10 | H2 | 120.1° | 120.0° |
| C08 | C09 | O10 | P11 | 173.6° | 180.0° |
| C08 | C09 | H1 | H2 | 119.7° | 120.0° |
| C06 | C05 | C04 | H9 | 56.4° | 60.0° |
| C06 | C05 | C04 | H10 | 62.9° | 60.0° |
| C06 | C05 | H11 | H12 | 119.5° | 120.0° |
| C05 | C06 | H13 | H14 | 120.0° | 120.0° |
| C05 | C06 | H13 | H15 | 120.0° | 120.0° |
| C05 | C06 | H14 | H15 | 120.0° | 120.0° |
| C09 | O10 | P11 | O13 | 57.6° | 175.0° |
| C09 | O10 | P11 | O12 | 177.0° | 55.0° |
| C09 | O10 | P11 | O14 | 62.0° | 65.0° |
| O10 | C09 | H1 | H2 | 119.8° | 120.0° |
| O10 | C09 | C08 | H16 | 20.6° | 44.5° |
| O10 | P11 | O13 | O12 | 119.8° | 120.0° |
| O10 | P11 | O13 | O14 | 119.4° | 120.0° |
| O10 | P11 | O13 | P32 | 179.5° | 160.0° |
| O10 | P11 | O12 | O14 | 120.1° | 120.0° |
| P11 | O10 | C09 | H1 | 53.5° | 60.0° |
| P11 | O10 | C09 | H2 | 66.3° | 60.0° |
| O10 | P11 | O14 | H3 | 120.4° | 60.0° |
| O13 | P11 | O12 | O14 | 119.9° | 120.0° |
| P11 | O13 | P32 | O40 | 167.4° | 40.0° |
| P11 | O13 | P32 | O36 | 72.2° | 80.0° |
| P11 | O13 | P32 | O39 | 47.2° | 160.0° |
| O13 | P11 | O14 | H3 | 119.6° | 60.0° |
| P32 | O13 | P11 | O12 | 59.7° | 40.0° |
| P32 | O13 | P11 | O14 | 61.1° | 80.0° |
| O13 | P32 | O40 | O36 | 119.6° | 120.0° |
| O13 | P32 | O40 | O39 | 119.5° | 120.0° |
| O13 | P32 | O36 | O39 | 119.2° | 120.0° |
| O13 | P32 | O36 | H17 | 119.5° | 60.0° |
| O13 | P32 | O39 | H18 | 119.3° | 180.0° |
| O12 | P11 | O14 | H3 | 0.0° | 180.0° |
| O40 | P32 | O36 | O39 | 121.4° | 120.0° |
| O40 | P32 | O36 | H17 | 0.0° | 180.0° |
| O40 | P32 | O39 | H18 | 0.0° | 60.0° |
| O36 | P32 | O39 | H18 | 121.6° | 60.0° |
| O39 | P32 | O36 | H17 | 121.4° | 60.0° |
| H1 | C09 | C08 | H16 | 140.7° | 164.6° |
| H2 | C09 | C08 | H16 | 99.5° | 75.5° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | C04 | H9 | 68.2° | 180.0° |
| H7 | C03 | C04 | H10 | 172.5° | 59.9° |
| H8 | C03 | C04 | H9 | 51.9° | 59.9° |
| H8 | C03 | C04 | H10 | 67.5° | 180.0° |
| H9 | C04 | C05 | H11 | 176.6° | 180.0° |
| H9 | C04 | C05 | H12 | 63.7° | 60.0° |
| H10 | C04 | C05 | H11 | 57.3° | 60.0° |
| H10 | C04 | C05 | H12 | 177.0° | 180.0° |
| H11 | C05 | C06 | H13 | 59.8° | 60.0° |
| H11 | C05 | C06 | H14 | 179.9° | 180.0° |
| H11 | C05 | C06 | H15 | 60.2° | 60.0° |
| H12 | C05 | C06 | H13 | 59.9° | 60.0° |
| H12 | C05 | C06 | H14 | 60.2° | 60.0° |
| H12 | C05 | C06 | H15 | 179.9° | 180.0° |
| H13 | C06 | H14 | H15 | 120.0° | 120.0° |
