LVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C1A | sing | 1.53Å | 1.50Å | |
| C1A | C3A | sing | 1.53Å | 1.61Å | |
| C1A | O1 | sing | 1.43Å | 1.44Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| H2AA | C2A | sing | 1.09Å | 1.10Å | |
| H2A | C2A | sing | 1.09Å | 1.10Å | |
| C2A | H2B | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.51Å | |
| H3B | C3A | sing | 1.09Å | 1.10Å | |
| H3AA | C3A | sing | 1.09Å | 1.10Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| HN9 | N9 | sing | 0.97Å | 1.00Å | |
| C2 | N9 | sing | 1.46Å | 1.47Å | |
| N9 | S19 | sing | 1.66Å | 1.64Å | |
| O5 | C1 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| O2S | S19 | doub | 1.42Å | 1.43Å | |
| S19 | O3S | doub | 1.42Å | 1.44Å | |
| S19 | O1S | sing | 1.52Å | 1.44Å | |
| O1S | HO1S | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O4S | S29 | doub | 1.42Å | 1.46Å | |
| O6S | S29 | doub | 1.42Å | 1.46Å | |
| O6 | S29 | sing | 1.52Å | 1.52Å | |
| S29 | O5S | sing | 1.52Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| H3 | C3 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| HO3 | O3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.47Å | |
| O4 | C4 | sing | 1.43Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| H5 | C5 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| O5S | HO5S | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.43Å | 1.47Å | |
| H61 | C6 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C1A | C3A | 117.4° | 109.5° |
| C2A | C1A | O1 | 111.4° | 109.5° |
| C2A | C1A | H1A | 106.9° | 109.5° |
| C1A | C2A | H2AA | 109.5° | 109.4° |
| C1A | C2A | H2A | 109.5° | 109.5° |
| C1A | C2A | H2B | 109.5° | 109.4° |
| C3A | C1A | O1 | 107.3° | 109.5° |
| C3A | C1A | H1A | 105.7° | 109.5° |
| C1A | C3A | H3B | 109.5° | 109.5° |
| C1A | C3A | H3AA | 109.5° | 109.5° |
| C1A | C3A | H3A | 109.4° | 109.4° |
| O1 | C1A | H1A | 107.5° | 109.4° |
| C1A | O1 | C1 | 119.2° | 114.0° |
| H2AA | C2A | H2A | 109.4° | 109.5° |
| H2AA | C2A | H2B | 109.5° | 109.5° |
| H2A | C2A | H2B | 109.5° | 109.5° |
| O1 | C1 | O5 | 113.7° | 109.5° |
| O1 | C1 | H1 | 106.9° | 109.5° |
| O1 | C1 | C2 | 108.5° | 109.5° |
| H3B | C3A | H3AA | 109.4° | 109.5° |
| H3B | C3A | H3A | 109.5° | 109.4° |
| H3AA | C3A | H3A | 109.5° | 109.4° |
| HN9 | N9 | C2 | 108.9° | 120.0° |
| HN9 | N9 | S19 | 108.9° | 120.0° |
| C2 | N9 | S19 | 111.7° | 120.0° |
| N9 | C2 | C1 | 113.2° | 109.5° |
| N9 | C2 | C3 | 113.0° | 109.5° |
| N9 | C2 | H2 | 106.8° | 109.5° |
| N9 | S19 | O2S | 112.2° | 106.4° |
| N9 | S19 | O3S | 107.7° | 106.4° |
| N9 | S19 | O1S | 106.7° | 107.2° |
| O5 | C1 | H1 | 108.4° | 109.5° |
| O5 | C1 | C2 | 111.9° | 109.4° |
| C1 | O5 | C5 | 114.9° | 114.1° |
| H1 | C1 | C2 | 107.2° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.2° |
| C1 | C2 | H2 | 106.5° | 109.6° |
| O2S | S19 | O3S | 110.0° | 123.2° |
| O2S | S19 | O1S | 115.2° | 106.4° |
| O3S | S19 | O1S | 104.5° | 106.3° |
| S19 | O1S | HO1S | 109.5° | 114.0° |
| C3 | C2 | H2 | 106.0° | 109.6° |
| C2 | C3 | C4 | 114.3° | 109.1° |
| C2 | C3 | H3 | 107.9° | 109.6° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| O4S | S29 | O6S | 107.1° | 123.2° |
| O4S | S29 | O6 | 111.2° | 106.4° |
| O4S | S29 | O5S | 111.7° | 106.4° |
| O6S | S29 | O6 | 102.4° | 106.4° |
| O6S | S29 | O5S | 113.6° | 106.4° |
| O6 | S29 | O5S | 110.5° | 107.2° |
| S29 | O6 | C6 | 119.9° | 114.0° |
| S29 | O5S | HO5S | 109.5° | 114.0° |
| C4 | C3 | H3 | 107.9° | 109.6° |
| C4 | C3 | O3 | 107.7° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.1° |
| C3 | C4 | O4 | 104.8° | 109.5° |
| C3 | C4 | H4 | 109.9° | 109.5° |
| H3 | C3 | O3 | 109.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | O4 | 111.1° | 109.6° |
| C5 | C4 | H4 | 110.7° | 109.5° |
| C4 | C5 | C6 | 115.7° | 109.4° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C4 | C5 | O5 | 104.8° | 109.4° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | H5 | 107.3° | 109.4° |
| C6 | C5 | O5 | 111.9° | 109.5° |
| C5 | C6 | O6 | 105.4° | 109.4° |
| C5 | C6 | H61 | 110.5° | 109.4° |
| C5 | C6 | H62 | 110.5° | 109.5° |
| H5 | C5 | O5 | 108.6° | 109.5° |
| O6 | C6 | H61 | 110.5° | 109.5° |
| O6 | C6 | H62 | 110.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C1A | C3A | O1 | 126.4° | 120.0° |
| C2A | C1A | C3A | H1A | 119.0° | 120.1° |
| C2A | C1A | O1 | H1A | 116.8° | 120.0° |
| C1A | C2A | H2AA | H2A | 120.0° | 120.0° |
| C1A | C2A | H2AA | H2B | 120.0° | 120.0° |
| C1A | C2A | H2A | H2B | 120.0° | 120.0° |
| C2A | C1A | O1 | C1 | 98.5° | 150.0° |
| C2A | C1A | C3A | H3B | 180.0° | 60.0° |
| C2A | C1A | C3A | H3AA | 60.0° | 180.0° |
| C2A | C1A | C3A | H3A | 60.0° | 60.0° |
| C3A | C1A | O1 | H1A | 113.3° | 120.0° |
| C3A | C1A | C2A | H2AA | 180.0° | 60.0° |
| C3A | C1A | C2A | H2A | 60.0° | 179.9° |
| C3A | C1A | C2A | H2B | 60.0° | 60.0° |
| C3A | C1A | O1 | C1 | 131.6° | 90.0° |
| C1A | C3A | H3B | H3AA | 120.0° | 120.1° |
| C1A | C3A | H3B | H3A | 120.0° | 120.0° |
| C1A | C3A | H3AA | H3A | 120.0° | 120.0° |
| O1 | C1A | C2A | H2AA | 55.6° | 180.0° |
| O1 | C1A | C2A | H2A | 175.6° | 60.0° |
| O1 | C1A | C2A | H2B | 64.4° | 60.0° |
| O1 | C1A | C3A | H3B | 53.6° | 60.0° |
| O1 | C1A | C3A | H3AA | 66.4° | 60.0° |
| O1 | C1A | C3A | H3A | 173.6° | 180.0° |
| C1A | O1 | C1 | O5 | 82.5° | 70.0° |
| C1A | O1 | C1 | H1 | 37.0° | 50.0° |
| C1A | O1 | C1 | C2 | 152.4° | 170.0° |
| H1A | C1A | C2A | H2AA | 61.6° | 60.1° |
| H1A | C1A | C2A | H2A | 58.4° | 60.0° |
| H1A | C1A | C2A | H2B | 178.4° | 180.0° |
| H1A | C1A | O1 | C1 | 18.3° | 30.0° |
| H1A | C1A | C3A | H3B | 61.0° | 180.0° |
| H1A | C1A | C3A | H3AA | 179.0° | 59.9° |
| H1A | C1A | C3A | H3A | 59.1° | 60.0° |
| H2AA | C2A | H2A | H2B | 120.0° | 120.0° |
| O1 | C1 | C2 | N9 | 47.3° | 57.5° |
| O1 | C1 | O5 | H1 | 118.7° | 120.0° |
| O1 | C1 | O5 | C2 | 123.3° | 120.0° |
| O1 | C1 | H1 | C2 | 116.1° | 120.1° |
| O1 | C1 | C2 | C3 | 80.8° | 62.4° |
| O1 | C1 | C2 | H2 | 164.3° | 177.7° |
| O1 | C1 | O5 | C5 | 60.9° | 58.8° |
| H3B | C3A | H3AA | H3A | 120.0° | 119.9° |
| HN9 | N9 | C2 | S19 | 120.4° | 180.0° |
| HN9 | N9 | C2 | C1 | 151.8° | 85.0° |
| HN9 | N9 | S19 | O2S | 166.5° | 1.4° |
| HN9 | N9 | S19 | O3S | 45.3° | 131.5° |
| HN9 | N9 | S19 | O1S | 66.4° | 115.0° |
| HN9 | N9 | C2 | C3 | 24.8° | 34.7° |
| HN9 | N9 | C2 | H2 | 91.3° | 154.8° |
| N9 | C2 | C1 | O5 | 173.5° | 177.5° |
| N9 | C2 | C1 | H1 | 67.8° | 62.5° |
| N9 | C2 | C1 | C3 | 128.1° | 119.9° |
| N9 | C2 | C1 | H2 | 117.0° | 120.1° |
| C2 | N9 | S19 | O2S | 73.1° | 178.6° |
| C2 | N9 | S19 | O3S | 165.7° | 48.5° |
| C2 | N9 | S19 | O1S | 53.9° | 65.0° |
| N9 | C2 | C3 | H2 | 116.6° | 120.1° |
| N9 | C2 | C3 | C4 | 169.6° | 176.9° |
| N9 | C2 | C3 | H3 | 49.6° | 56.9° |
| N9 | C2 | C3 | O3 | 69.5° | 63.2° |
| S19 | N9 | C2 | C1 | 87.9° | 95.0° |
| N9 | S19 | O2S | O3S | 119.9° | 123.0° |
| N9 | S19 | O2S | O1S | 122.3° | 114.1° |
| N9 | S19 | O3S | O1S | 113.2° | 114.0° |
| N9 | S19 | O1S | HO1S | 113.9° | 180.0° |
| S19 | N9 | C2 | C3 | 145.2° | 145.3° |
| S19 | N9 | C2 | H2 | 29.0° | 25.2° |
| O5 | C1 | H1 | C2 | 121.0° | 119.9° |
| O5 | C1 | C2 | C3 | 45.4° | 57.6° |
| O5 | C1 | C2 | H2 | 69.5° | 62.4° |
| C1 | O5 | C5 | C4 | 68.5° | 61.2° |
| C1 | O5 | C5 | C6 | 165.4° | 178.9° |
| C1 | O5 | C5 | H5 | 47.0° | 58.9° |
| H1 | C1 | C2 | C3 | 164.1° | 177.6° |
| H1 | C1 | C2 | H2 | 49.2° | 57.6° |
| H1 | C1 | O5 | C5 | 179.6° | 178.9° |
| C1 | C2 | C3 | H2 | 115.2° | 120.0° |
| C1 | C2 | C3 | C4 | 41.4° | 57.0° |
| C1 | C2 | C3 | H3 | 78.6° | 63.0° |
| C1 | C2 | C3 | O3 | 162.3° | 176.9° |
| C2 | C1 | O5 | C5 | 62.4° | 61.2° |
| O2S | S19 | O3S | O1S | 124.2° | 122.9° |
| O2S | S19 | O1S | HO1S | 120.8° | 66.4° |
| O3S | S19 | O1S | HO1S | 0.0° | 66.5° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | O3 | 121.8° | 119.9° |
| C2 | C3 | H3 | O3 | 119.1° | 120.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 50.5° | 57.0° |
| C2 | C3 | C4 | O4 | 170.0° | 177.0° |
| C2 | C3 | C4 | H4 | 71.7° | 62.9° |
| H2 | C2 | C3 | C4 | 73.7° | 63.0° |
| H2 | C2 | C3 | H3 | 166.2° | 177.1° |
| H2 | C2 | C3 | O3 | 47.1° | 56.9° |
| O4S | S29 | O6S | O6 | 117.0° | 122.9° |
| O4S | S29 | O6S | O5S | 123.8° | 122.9° |
| O4S | S29 | O6 | O5S | 124.6° | 113.5° |
| O4S | S29 | O5S | HO5S | 0.0° | 66.5° |
| O4S | S29 | O6 | C6 | 84.8° | 38.5° |
| O6S | S29 | O6 | O5S | 121.4° | 113.6° |
| O6S | S29 | O5S | HO5S | 121.3° | 66.4° |
| O6S | S29 | O6 | C6 | 161.1° | 171.4° |
| S29 | O6 | C6 | C5 | 121.3° | 180.0° |
| O6 | S29 | O5S | HO5S | 124.3° | 180.0° |
| S29 | O6 | C6 | H61 | 119.4° | 60.0° |
| S29 | O6 | C6 | H62 | 1.9° | 60.0° |
| O5S | S29 | O6 | C6 | 39.8° | 75.0° |
| C4 | C3 | H3 | O3 | 117.0° | 120.2° |
| C4 | C3 | O3 | HO3 | 55.2° | 60.5° |
| C3 | C4 | C5 | O4 | 115.7° | 120.0° |
| C3 | C4 | C5 | H4 | 121.7° | 119.9° |
| C3 | C4 | O4 | H4 | 118.2° | 120.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 177.1° | 177.6° |
| C3 | C4 | C5 | H5 | 56.7° | 62.4° |
| C3 | C4 | C5 | O5 | 59.1° | 57.6° |
| H3 | C3 | O3 | HO3 | 61.9° | 59.8° |
| H3 | C3 | C4 | C5 | 69.5° | 63.0° |
| H3 | C3 | C4 | O4 | 50.0° | 57.0° |
| H3 | C3 | C4 | H4 | 168.3° | 177.2° |
| O3 | C3 | C4 | C5 | 172.3° | 176.9° |
| O3 | C3 | C4 | O4 | 68.2° | 63.2° |
| O3 | C3 | C4 | H4 | 50.1° | 57.0° |
| C5 | C4 | O4 | H4 | 122.9° | 120.2° |
| C5 | C4 | O4 | HO4 | 61.1° | 60.2° |
| C4 | C5 | C6 | H5 | 121.0° | 120.0° |
| C4 | C5 | C6 | O5 | 119.9° | 119.9° |
| C4 | C5 | H5 | O5 | 113.3° | 120.0° |
| C4 | C5 | C6 | O6 | 174.4° | 175.0° |
| C4 | C5 | C6 | H61 | 55.1° | 55.0° |
| C4 | C5 | C6 | H62 | 66.2° | 65.0° |
| O4 | C4 | C5 | C6 | 61.5° | 62.5° |
| O4 | C4 | C5 | H5 | 59.0° | 57.5° |
| O4 | C4 | C5 | O5 | 174.8° | 177.6° |
| H4 | C4 | O4 | HO4 | 61.8° | 59.9° |
| H4 | C4 | C5 | C6 | 61.1° | 57.7° |
| H4 | C4 | C5 | H5 | 178.4° | 177.7° |
| H4 | C4 | C5 | O5 | 62.6° | 62.3° |
| C6 | C5 | H5 | O5 | 121.2° | 120.0° |
| C5 | C6 | O6 | H61 | 119.4° | 120.0° |
| C5 | C6 | O6 | H62 | 119.4° | 120.0° |
| C5 | C6 | H61 | H62 | 121.9° | 120.0° |
| H5 | C5 | C6 | O6 | 53.5° | 55.0° |
| H5 | C5 | C6 | H61 | 65.9° | 65.0° |
| H5 | C5 | C6 | H62 | 172.8° | 175.0° |
| O5 | C5 | C6 | O6 | 65.6° | 65.1° |
| O5 | C5 | C6 | H61 | 175.0° | 174.9° |
| O5 | C5 | C6 | H62 | 53.8° | 54.9° |
| O6 | C6 | H61 | H62 | 121.9° | 120.1° |
