Z9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | S1 | sing | 1.52Å | 1.63Å | |
| S1 | O7 | doub | 1.42Å | 1.43Å | |
| S1 | O11 | doub | 1.42Å | 1.43Å | |
| S1 | O15 | sing | 1.52Å | 1.42Å | |
| O15 | H6O | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | S2 | sing | 1.52Å | 1.61Å | |
| S2 | O8 | doub | 1.42Å | 1.42Å | |
| S2 | O9 | sing | 1.52Å | 1.43Å | |
| S2 | O10 | doub | 1.42Å | 1.43Å | |
| O9 | H9O | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | S3 | sing | 1.52Å | 1.63Å | |
| S3 | O12 | sing | 1.52Å | 1.42Å | |
| S3 | O13 | doub | 1.42Å | 1.42Å | |
| S3 | O14 | doub | 1.42Å | 1.42Å | |
| O12 | H12O | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 110.2° | 109.5° |
| O4 | C4 | C3 | 109.7° | 109.5° |
| O4 | C4 | H4 | 109.0° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 112.1° | 109.1° |
| C5 | C4 | H4 | 107.9° | 109.5° |
| C4 | C5 | O5 | 114.3° | 109.4° |
| C4 | C5 | C6 | 113.3° | 109.4° |
| C4 | C5 | H5 | 106.4° | 109.5° |
| C3 | C4 | H4 | 107.8° | 109.6° |
| C4 | C3 | O3 | 108.4° | 109.5° |
| C4 | C3 | C2 | 106.9° | 109.1° |
| C4 | C3 | H3 | 110.3° | 109.6° |
| O5 | C5 | C6 | 108.4° | 109.5° |
| O5 | C5 | H5 | 107.6° | 109.5° |
| C5 | O5 | C1 | 116.9° | 114.1° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C5 | C6 | O6 | 110.3° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.4° |
| O5 | C1 | C2 | 112.6° | 109.4° |
| O5 | C1 | O1 | 112.7° | 109.5° |
| O5 | C1 | H1 | 106.1° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C6 | O6 | S1 | 115.8° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| O6 | S1 | O7 | 104.4° | 106.4° |
| O6 | S1 | O11 | 104.8° | 106.4° |
| O6 | S1 | O15 | 106.0° | 107.2° |
| O7 | S1 | O11 | 113.0° | 123.2° |
| O7 | S1 | O15 | 113.9° | 106.4° |
| O11 | S1 | O15 | 113.6° | 106.4° |
| S1 | O15 | H6O | 109.5° | 114.0° |
| O3 | C3 | C2 | 109.4° | 109.5° |
| O3 | C3 | H3 | 111.6° | 109.6° |
| C3 | O3 | S2 | 121.3° | 114.0° |
| C2 | C3 | H3 | 110.1° | 109.6° |
| C3 | C2 | O2 | 112.5° | 109.6° |
| C3 | C2 | C1 | 111.9° | 109.1° |
| C3 | C2 | H2 | 105.7° | 109.5° |
| O3 | S2 | O8 | 105.0° | 106.4° |
| O3 | S2 | O9 | 104.7° | 107.2° |
| O3 | S2 | O10 | 106.8° | 106.4° |
| O8 | S2 | O9 | 112.7° | 106.4° |
| O8 | S2 | O10 | 114.0° | 123.2° |
| O9 | S2 | O10 | 112.7° | 106.4° |
| S2 | O9 | H9O | 109.5° | 114.0° |
| O2 | C2 | C1 | 113.2° | 109.5° |
| O2 | C2 | H2 | 107.1° | 109.5° |
| C2 | O2 | S3 | 116.0° | 114.0° |
| C1 | C2 | H2 | 105.9° | 109.5° |
| C2 | C1 | O1 | 113.5° | 109.5° |
| C2 | C1 | H1 | 105.0° | 109.5° |
| O2 | S3 | O12 | 104.0° | 107.2° |
| O2 | S3 | O13 | 104.8° | 106.4° |
| O2 | S3 | O14 | 106.5° | 106.4° |
| O12 | S3 | O13 | 113.4° | 106.4° |
| O12 | S3 | O14 | 114.2° | 106.4° |
| S3 | O12 | H12O | 109.5° | 114.0° |
| O13 | S3 | O14 | 112.9° | 123.2° |
| O1 | C1 | H1 | 106.3° | 109.5° |
| C1 | O1 | C7 | 113.5° | 114.0° |
| O1 | C7 | H71 | 109.5° | 109.4° |
| O1 | C7 | H72 | 109.5° | 109.4° |
| O1 | C7 | H73 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C3 | 122.5° | 119.9° |
| O4 | C4 | C5 | H4 | 119.0° | 120.2° |
| O4 | C4 | C3 | H4 | 118.6° | 120.2° |
| O4 | C4 | C5 | O5 | 173.0° | 177.5° |
| O4 | C4 | C5 | C6 | 62.1° | 62.5° |
| O4 | C4 | C5 | H5 | 54.4° | 57.5° |
| O4 | C4 | C3 | O3 | 65.0° | 63.3° |
| O4 | C4 | C3 | C2 | 177.2° | 176.9° |
| O4 | C4 | C3 | H3 | 57.4° | 56.9° |
| C5 | C4 | C3 | H4 | 118.6° | 119.9° |
| C4 | C5 | O5 | C6 | 127.4° | 120.0° |
| C4 | C5 | O5 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 116.5° | 120.0° |
| C4 | C5 | O5 | C1 | 46.8° | 61.2° |
| C4 | C5 | C6 | O6 | 86.5° | 175.0° |
| C4 | C5 | C6 | H61 | 153.3° | 54.9° |
| C4 | C5 | C6 | H62 | 33.6° | 65.0° |
| C5 | C4 | C3 | O3 | 172.1° | 176.9° |
| C5 | C4 | C3 | C2 | 54.4° | 57.0° |
| C5 | C4 | C3 | H3 | 65.4° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 50.5° | 57.6° |
| C3 | C4 | C5 | C6 | 175.4° | 177.6° |
| C3 | C4 | C5 | H5 | 68.1° | 62.4° |
| C4 | C3 | O3 | C2 | 116.2° | 119.6° |
| C4 | C3 | O3 | H3 | 121.6° | 120.2° |
| C4 | C3 | C2 | H3 | 119.8° | 119.9° |
| C4 | C3 | O3 | S2 | 123.9° | 95.0° |
| C4 | C3 | C2 | O2 | 175.3° | 176.9° |
| C4 | C3 | C2 | C1 | 56.1° | 57.0° |
| C4 | C3 | C2 | H2 | 58.7° | 62.9° |
| C3 | C4 | O4 | HO4 | 56.0° | 179.7° |
| H4 | C4 | C5 | O5 | 68.0° | 62.3° |
| H4 | C4 | C5 | C6 | 56.8° | 57.7° |
| H4 | C4 | C5 | H5 | 173.3° | 177.7° |
| H4 | C4 | C3 | O3 | 53.5° | 56.9° |
| H4 | C4 | C3 | C2 | 64.2° | 62.9° |
| H4 | C4 | C3 | H3 | 176.0° | 177.2° |
| H4 | C4 | O4 | HO4 | 61.8° | 60.1° |
| O5 | C5 | C6 | H5 | 115.5° | 120.0° |
| O5 | C5 | C6 | O6 | 41.4° | 65.0° |
| O5 | C5 | C6 | H61 | 78.7° | 174.9° |
| O5 | C5 | C6 | H62 | 161.6° | 54.9° |
| C5 | O5 | C1 | C2 | 47.9° | 61.1° |
| C5 | O5 | C1 | O1 | 82.0° | 58.8° |
| C5 | O5 | C1 | H1 | 162.1° | 178.8° |
| C6 | C5 | O5 | C1 | 174.2° | 178.9° |
| C5 | C6 | O6 | H61 | 120.1° | 120.1° |
| C5 | C6 | O6 | H62 | 120.1° | 120.0° |
| C5 | C6 | H61 | H62 | 119.6° | 120.0° |
| C5 | C6 | O6 | S1 | 171.7° | 180.0° |
| H5 | C5 | O5 | C1 | 71.2° | 58.8° |
| H5 | C5 | C6 | O6 | 157.0° | 55.0° |
| H5 | C5 | C6 | H61 | 36.8° | 65.1° |
| H5 | C5 | C6 | H62 | 82.9° | 175.0° |
| O5 | C1 | C2 | C3 | 53.2° | 57.6° |
| O5 | C1 | C2 | O2 | 178.5° | 177.5° |
| O5 | C1 | C2 | O1 | 129.5° | 119.9° |
| O5 | C1 | C2 | H1 | 114.9° | 120.0° |
| O5 | C1 | C2 | H2 | 61.5° | 62.3° |
| O5 | C1 | O1 | H1 | 115.8° | 120.0° |
| O5 | C1 | O1 | C7 | 105.0° | 70.0° |
| O6 | C6 | H61 | H62 | 119.6° | 120.0° |
| C6 | O6 | S1 | O7 | 72.6° | 171.5° |
| C6 | O6 | S1 | O11 | 46.4° | 38.5° |
| C6 | O6 | S1 | O15 | 166.9° | 75.0° |
| H61 | C6 | O6 | S1 | 68.2° | 59.9° |
| H62 | C6 | O6 | S1 | 51.6° | 60.0° |
| O6 | S1 | O7 | O11 | 113.3° | 123.0° |
| O6 | S1 | O7 | O15 | 115.1° | 114.1° |
| O6 | S1 | O11 | O15 | 115.2° | 114.0° |
| O6 | S1 | O15 | H6O | 114.5° | 180.0° |
| O7 | S1 | O11 | O15 | 131.7° | 123.0° |
| O7 | S1 | O15 | H6O | 131.3° | 66.4° |
| O11 | S1 | O15 | H6O | 0.0° | 66.5° |
| O3 | C3 | C2 | H3 | 123.0° | 120.2° |
| C3 | O3 | S2 | O8 | 68.9° | 38.5° |
| C3 | O3 | S2 | O9 | 172.2° | 75.0° |
| C3 | O3 | S2 | O10 | 52.5° | 171.5° |
| O3 | C3 | C2 | O2 | 58.1° | 63.2° |
| O3 | C3 | C2 | C1 | 173.2° | 176.9° |
| O3 | C3 | C2 | H2 | 58.4° | 56.9° |
| C2 | C3 | O3 | S2 | 119.9° | 145.4° |
| C3 | C2 | O2 | C1 | 128.0° | 119.7° |
| C3 | C2 | O2 | H2 | 115.7° | 120.2° |
| C3 | C2 | C1 | H2 | 114.7° | 119.9° |
| C3 | C2 | O2 | S3 | 129.0° | 145.1° |
| C3 | C2 | C1 | O1 | 76.2° | 62.4° |
| C3 | C2 | C1 | H1 | 168.2° | 177.6° |
| H3 | C3 | O3 | S2 | 2.3° | 25.2° |
| H3 | C3 | C2 | O2 | 64.9° | 57.0° |
| H3 | C3 | C2 | C1 | 63.8° | 62.9° |
| H3 | C3 | C2 | H2 | 178.5° | 177.1° |
| O3 | S2 | O8 | O9 | 113.4° | 114.1° |
| O3 | S2 | O8 | O10 | 116.6° | 123.0° |
| O3 | S2 | O9 | O10 | 115.7° | 113.5° |
| O3 | S2 | O9 | H9O | 113.5° | 180.0° |
| O8 | S2 | O9 | O10 | 130.7° | 132.9° |
| O8 | S2 | O9 | H9O | 0.0° | 66.4° |
| O10 | S2 | O9 | H9O | 130.7° | 66.5° |
| O2 | C2 | C1 | H2 | 117.0° | 120.2° |
| C2 | O2 | S3 | O12 | 87.6° | 75.0° |
| C2 | O2 | S3 | O13 | 31.6° | 171.5° |
| C2 | O2 | S3 | O14 | 151.5° | 38.5° |
| O2 | C2 | C1 | O1 | 52.1° | 57.6° |
| O2 | C2 | C1 | H1 | 63.5° | 62.5° |
| C1 | C2 | O2 | S3 | 103.0° | 95.3° |
| C2 | C1 | O1 | H1 | 114.8° | 120.0° |
| C2 | C1 | O1 | C7 | 125.6° | 170.1° |
| H2 | C2 | O2 | S3 | 13.3° | 24.9° |
| H2 | C2 | C1 | O1 | 169.1° | 177.7° |
| H2 | C2 | C1 | H1 | 53.5° | 57.7° |
| O2 | S3 | O12 | O13 | 113.2° | 113.5° |
| O2 | S3 | O12 | O14 | 115.6° | 113.5° |
| O2 | S3 | O13 | O14 | 115.4° | 123.0° |
| O2 | S3 | O12 | H12O | 113.2° | 180.0° |
| O12 | S3 | O13 | O14 | 131.9° | 122.9° |
| O13 | S3 | O12 | H12O | 0.0° | 66.5° |
| O14 | S3 | O12 | H12O | 131.2° | 66.5° |
| C1 | O1 | C7 | H71 | 180.0° | 60.0° |
| C1 | O1 | C7 | H72 | 60.0° | 180.0° |
| C1 | O1 | C7 | H73 | 60.0° | 60.0° |
| H1 | C1 | O1 | C7 | 10.8° | 50.0° |
| O1 | C7 | H71 | H72 | 120.0° | 120.0° |
| O1 | C7 | H71 | H73 | 120.0° | 120.0° |
| O1 | C7 | H72 | H73 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.1° |
