LGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | S02 | sing | 1.76Å | 1.68Å | |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| N09 | C08 | sing | 1.40Å | 1.39Å | |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | N09 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| N18 | C17 | sing | 1.40Å | 1.42Å | |
| C19 | N18 | sing | 1.35Å | 1.37Å | |
| N20 | C19 | sing | 1.35Å | 1.39Å | |
| O31 | C19 | doub | 1.22Å | 1.24Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.40Å | 1.37Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| S25 | C24 | sing | 1.76Å | 1.64Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | N33 | doub | 1.31Å | 1.40Å | Aromatic |
| N01 | S02 | sing | 1.66Å | 1.61Å | |
| N33 | N09 | sing | 1.40Å | 1.43Å | Aromatic |
| N27 | S25 | sing | 1.66Å | 1.58Å | |
| O26 | S25 | doub | 1.42Å | 1.45Å | |
| O28 | S25 | doub | 1.42Å | 1.46Å | |
| O34 | S02 | doub | 1.42Å | 1.41Å | |
| S02 | O35 | doub | 1.42Å | 1.40Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C32 | H3 | sing | 1.08Å | 1.08Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N27 | H272 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C06 | 112.1° | 120.1° |
| C04 | C03 | S02 | 121.5° | 119.9° |
| C03 | C04 | C05 | 125.1° | 120.1° |
| C03 | C04 | H04 | 117.5° | 120.0° |
| C06 | C03 | S02 | 126.2° | 120.0° |
| C03 | C06 | C07 | 122.3° | 120.1° |
| C03 | C06 | H06 | 118.9° | 119.9° |
| C03 | S02 | N01 | 110.1° | 107.2° |
| C03 | S02 | O34 | 106.7° | 106.4° |
| C03 | S02 | O35 | 109.1° | 106.4° |
| C04 | C05 | C08 | 123.7° | 119.9° |
| C04 | C05 | H05 | 118.1° | 120.0° |
| C05 | C04 | H04 | 117.4° | 119.9° |
| C05 | C08 | C07 | 112.8° | 119.9° |
| C05 | C08 | N09 | 124.1° | 120.0° |
| C08 | C05 | H05 | 118.1° | 120.1° |
| C06 | C07 | C08 | 124.1° | 119.9° |
| C07 | C06 | H06 | 118.9° | 120.0° |
| C06 | C07 | H07 | 118.0° | 120.1° |
| C07 | C08 | N09 | 123.0° | 120.1° |
| C08 | C07 | H07 | 118.0° | 120.1° |
| C08 | N09 | C10 | 129.3° | 126.1° |
| C08 | N09 | N33 | 118.7° | 126.1° |
| C11 | C10 | C17 | 128.1° | 126.5° |
| C11 | C10 | N09 | 124.6° | 126.5° |
| C10 | C11 | C12 | 114.0° | 120.2° |
| C10 | C11 | C16 | 123.3° | 120.1° |
| C17 | C10 | N09 | 106.5° | 107.0° |
| C10 | C17 | C32 | 106.9° | 107.6° |
| C10 | C17 | N18 | 121.3° | 126.2° |
| C10 | N09 | N33 | 110.9° | 107.8° |
| C12 | C11 | C16 | 122.7° | 119.7° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C11 | C16 | C15 | 117.6° | 119.8° |
| C11 | C16 | H16 | 121.2° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C13 | C14 | C15 | 118.6° | 120.3° |
| C13 | C14 | H14 | 120.7° | 119.8° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C14 | C15 | C16 | 121.2° | 120.2° |
| C14 | C15 | H15 | 119.4° | 119.9° |
| C15 | C14 | H14 | 120.7° | 119.9° |
| C15 | C16 | H16 | 121.2° | 120.1° |
| C16 | C15 | H15 | 119.4° | 119.9° |
| C32 | C17 | N18 | 129.1° | 126.2° |
| C17 | C32 | N33 | 110.8° | 108.7° |
| C17 | C32 | H3 | 124.6° | 125.6° |
| C17 | N18 | C19 | 122.7° | 120.0° |
| C17 | N18 | HN18 | 118.7° | 120.0° |
| N18 | C19 | N20 | 113.7° | 120.0° |
| N18 | C19 | O31 | 127.3° | 120.0° |
| C19 | N18 | HN18 | 118.6° | 120.0° |
| N20 | C19 | O31 | 119.0° | 120.0° |
| C19 | N20 | C21 | 129.2° | 120.0° |
| C19 | N20 | HN20 | 115.4° | 120.0° |
| C22 | C21 | C30 | 116.7° | 119.9° |
| C22 | C21 | N20 | 117.4° | 120.1° |
| C21 | C22 | C23 | 122.0° | 119.9° |
| C21 | C22 | H22 | 119.0° | 120.0° |
| C30 | C21 | N20 | 125.9° | 120.0° |
| C21 | C30 | C29 | 121.5° | 119.9° |
| C21 | C30 | H30 | 119.2° | 120.1° |
| C21 | N20 | HN20 | 115.4° | 120.0° |
| C22 | C23 | C24 | 121.4° | 120.1° |
| C22 | C23 | H23 | 119.3° | 120.0° |
| C23 | C22 | H22 | 119.0° | 120.0° |
| C23 | C24 | C29 | 116.3° | 120.1° |
| C23 | C24 | S25 | 122.0° | 119.9° |
| C24 | C23 | H23 | 119.3° | 120.0° |
| C29 | C24 | S25 | 121.7° | 119.9° |
| C24 | C29 | C30 | 122.1° | 120.1° |
| C24 | C29 | H29 | 118.9° | 120.0° |
| C24 | S25 | N27 | 115.9° | 107.2° |
| C24 | S25 | O26 | 107.8° | 106.4° |
| C24 | S25 | O28 | 105.7° | 106.4° |
| C29 | C30 | H30 | 119.2° | 120.1° |
| C30 | C29 | H29 | 119.0° | 119.9° |
| C32 | N33 | N09 | 104.4° | 108.9° |
| N33 | C32 | H3 | 124.6° | 125.7° |
| N01 | S02 | O34 | 107.9° | 106.5° |
| N01 | S02 | O35 | 105.0° | 106.4° |
| S02 | N01 | H011 | 109.5° | 120.1° |
| S02 | N01 | H012 | 109.5° | 120.0° |
| N27 | S25 | O26 | 105.8° | 106.4° |
| N27 | S25 | O28 | 111.1° | 106.4° |
| S25 | N27 | H272 | 109.5° | 120.0° |
| S25 | N27 | H271 | 109.5° | 120.0° |
| O26 | S25 | O28 | 110.4° | 123.1° |
| O34 | S02 | O35 | 118.0° | 123.2° |
| H011 | N01 | H012 | 109.4° | 120.0° |
| H272 | N27 | H271 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C06 | S02 | 174.9° | 179.8° |
| C03 | C04 | C05 | H04 | 180.0° | 179.8° |
| C03 | C04 | C05 | C08 | 0.3° | 0.0° |
| C04 | C03 | C06 | C07 | 1.2° | 0.0° |
| C04 | C03 | S02 | N01 | 138.8° | 90.0° |
| C04 | C03 | S02 | O34 | 22.0° | 156.4° |
| C04 | C03 | S02 | O35 | 106.5° | 23.5° |
| C04 | C03 | C06 | H06 | 178.8° | 180.0° |
| C03 | C04 | C05 | H05 | 179.7° | 180.0° |
| C06 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C06 | C07 | H06 | 180.0° | 180.0° |
| C03 | C06 | C07 | C08 | 1.6° | 0.0° |
| C06 | C03 | S02 | N01 | 35.7° | 89.8° |
| C06 | C03 | S02 | O34 | 152.5° | 23.8° |
| C06 | C03 | S02 | O35 | 79.1° | 156.7° |
| C03 | C06 | C07 | H07 | 178.4° | 180.0° |
| C06 | C03 | C04 | H04 | 179.4° | 179.8° |
| S02 | C03 | C04 | C05 | 174.6° | 179.7° |
| S02 | C03 | C06 | C07 | 173.7° | 179.7° |
| C03 | S02 | N01 | O34 | 116.1° | 113.5° |
| C03 | S02 | N01 | O35 | 117.3° | 113.5° |
| C03 | S02 | O34 | O35 | 123.1° | 122.9° |
| C03 | S02 | N01 | H011 | 180.0° | 0.1° |
| C03 | S02 | N01 | H012 | 60.0° | 179.9° |
| S02 | C03 | C06 | H06 | 6.3° | 0.3° |
| S02 | C03 | C04 | H04 | 5.4° | 0.0° |
| C04 | C05 | C08 | H05 | 180.0° | 180.0° |
| C04 | C05 | C08 | C07 | 0.5° | 0.0° |
| C04 | C05 | C08 | N09 | 176.6° | 180.0° |
| C05 | C08 | C07 | C06 | 1.1° | 0.0° |
| C05 | C08 | C07 | N09 | 176.2° | 180.0° |
| C05 | C08 | N09 | C10 | 37.2° | 35.0° |
| C05 | C08 | N09 | N33 | 130.1° | 145.0° |
| C05 | C08 | C07 | H07 | 178.9° | 180.0° |
| C08 | C05 | C04 | H04 | 179.8° | 179.8° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | N09 | 177.3° | 180.0° |
| C07 | C08 | N09 | C10 | 147.0° | 145.0° |
| C07 | C08 | N09 | N33 | 45.6° | 35.0° |
| C08 | C07 | C06 | H06 | 178.4° | 180.0° |
| C07 | C08 | C05 | H05 | 179.5° | 179.9° |
| C08 | N09 | C10 | C11 | 14.4° | 0.3° |
| C08 | N09 | C10 | C17 | 175.1° | 180.0° |
| C08 | N09 | C10 | N33 | 168.1° | 180.0° |
| C08 | N09 | N33 | C32 | 173.3° | 180.0° |
| N09 | C08 | C07 | H07 | 2.7° | 0.1° |
| N09 | C08 | C05 | H05 | 3.4° | 0.0° |
| C11 | C10 | C17 | N09 | 170.1° | 179.7° |
| C10 | C11 | C12 | C16 | 178.4° | 179.7° |
| C10 | C11 | C12 | C13 | 178.8° | 179.7° |
| C10 | C11 | C16 | C15 | 179.7° | 179.7° |
| C11 | C10 | C17 | C32 | 177.5° | 179.7° |
| C11 | C10 | C17 | N18 | 19.6° | 0.3° |
| C11 | C10 | N09 | N33 | 177.5° | 179.7° |
| C10 | C11 | C16 | H16 | 0.3° | 0.0° |
| C10 | C11 | C12 | H12 | 1.2° | 0.3° |
| C17 | C10 | C11 | C12 | 110.6° | 134.7° |
| C17 | C10 | C11 | C16 | 67.8° | 45.1° |
| C10 | C17 | C32 | N18 | 161.1° | 180.0° |
| C10 | C17 | N18 | C19 | 75.5° | 179.9° |
| C10 | C17 | C32 | N33 | 5.3° | 0.0° |
| C17 | C10 | N09 | N33 | 6.9° | 0.0° |
| C10 | C17 | C32 | H3 | 174.8° | 180.0° |
| C10 | C17 | N18 | HN18 | 104.5° | 0.1° |
| N09 | C10 | C11 | C12 | 57.8° | 45.0° |
| N09 | C10 | C11 | C16 | 123.8° | 135.3° |
| N09 | C10 | C17 | C32 | 7.4° | 0.0° |
| N09 | C10 | C17 | N18 | 170.4° | 180.0° |
| C10 | N09 | N33 | C32 | 3.8° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.1° | 0.1° |
| C12 | C11 | C16 | C15 | 2.0° | 0.0° |
| C12 | C11 | C16 | H16 | 178.0° | 179.8° |
| C11 | C12 | C13 | H13 | 177.9° | 179.9° |
| C16 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C16 | C15 | C14 | 1.3° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 178.7° | 180.0° |
| C16 | C11 | C12 | H12 | 179.6° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.8° | 0.1° |
| C12 | C13 | C14 | H14 | 177.3° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C13 | C14 | C15 | H15 | 178.9° | 180.0° |
| C14 | C13 | C12 | H12 | 177.9° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 178.7° | 179.8° |
| C15 | C14 | C13 | H13 | 177.2° | 179.9° |
| C16 | C15 | C14 | H14 | 179.0° | 179.9° |
| C32 | C17 | N18 | C19 | 83.2° | 0.0° |
| C17 | C32 | N33 | H3 | 180.0° | 180.0° |
| C17 | C32 | N33 | N09 | 1.1° | 0.0° |
| C32 | C17 | N18 | HN18 | 96.7° | 180.0° |
| C17 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C17 | N18 | C19 | N20 | 179.6° | 180.0° |
| C17 | N18 | C19 | O31 | 3.4° | 0.0° |
| N18 | C17 | C32 | N33 | 166.4° | 180.0° |
| N18 | C17 | C32 | H3 | 13.6° | 0.0° |
| N18 | C19 | N20 | O31 | 177.3° | 180.0° |
| N18 | C19 | N20 | C21 | 178.5° | 175.4° |
| N18 | C19 | N20 | HN20 | 1.5° | 4.7° |
| C19 | N20 | C21 | C22 | 176.1° | 35.1° |
| C19 | N20 | C21 | C30 | 2.3° | 144.9° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| N20 | C19 | N18 | HN18 | 0.4° | 0.0° |
| O31 | C19 | N20 | C21 | 1.2° | 4.6° |
| O31 | C19 | N18 | HN18 | 176.7° | 180.0° |
| O31 | C19 | N20 | HN20 | 178.8° | 175.3° |
| C22 | C21 | C30 | N20 | 178.4° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C22 | C21 | C30 | C29 | 0.1° | 0.3° |
| C21 | C22 | C23 | H23 | 179.4° | 179.8° |
| C22 | C21 | N20 | HN20 | 3.9° | 144.8° |
| C22 | C21 | C30 | H30 | 179.9° | 180.0° |
| C30 | C21 | C22 | C23 | 1.0° | 0.0° |
| C21 | C30 | C29 | C24 | 1.3° | 0.5° |
| C21 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C21 | N20 | HN20 | 177.7° | 35.2° |
| C21 | C30 | C29 | H29 | 178.7° | 180.0° |
| C30 | C21 | C22 | H22 | 179.0° | 180.0° |
| N20 | C21 | C22 | C23 | 179.5° | 179.9° |
| N20 | C21 | C30 | C29 | 178.5° | 179.7° |
| N20 | C21 | C30 | H30 | 1.5° | 0.0° |
| N20 | C21 | C22 | H22 | 0.5° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C29 | 0.7° | 0.3° |
| C22 | C23 | C24 | S25 | 179.7° | 179.7° |
| C23 | C24 | C29 | S25 | 179.0° | 180.0° |
| C23 | C24 | C29 | C30 | 1.7° | 0.5° |
| C23 | C24 | S25 | N27 | 125.2° | 90.0° |
| C23 | C24 | S25 | O26 | 6.9° | 156.5° |
| C23 | C24 | S25 | O28 | 111.2° | 23.6° |
| C23 | C24 | C29 | H29 | 178.3° | 180.0° |
| C24 | C23 | C22 | H22 | 179.4° | 180.0° |
| C24 | C29 | C30 | H29 | 180.0° | 179.5° |
| C29 | C24 | S25 | N27 | 55.9° | 90.0° |
| C29 | C24 | S25 | O26 | 174.2° | 23.6° |
| C29 | C24 | S25 | O28 | 67.7° | 156.4° |
| C29 | C24 | C23 | H23 | 179.2° | 180.0° |
| C24 | C29 | C30 | H30 | 178.7° | 179.8° |
| S25 | C24 | C29 | C30 | 179.3° | 179.5° |
| C24 | S25 | N27 | O26 | 119.4° | 113.6° |
| C24 | S25 | N27 | O28 | 120.7° | 113.6° |
| C24 | S25 | O26 | O28 | 115.1° | 122.9° |
| S25 | C24 | C23 | H23 | 0.2° | 0.0° |
| S25 | C24 | C29 | H29 | 0.7° | 0.0° |
| C24 | S25 | N27 | H272 | 180.0° | 0.0° |
| C24 | S25 | N27 | H271 | 60.0° | 180.0° |
| N01 | S02 | O34 | O35 | 118.6° | 123.0° |
| S02 | N01 | H011 | H012 | 120.0° | 179.8° |
| N09 | N33 | C32 | H3 | 178.9° | 180.0° |
| N27 | S25 | O26 | O28 | 120.4° | 123.0° |
| S25 | N27 | H272 | H271 | 120.0° | 180.0° |
| O26 | S25 | N27 | H272 | 60.6° | 113.6° |
| O26 | S25 | N27 | H271 | 179.4° | 66.5° |
| O28 | S25 | N27 | H272 | 59.3° | 113.6° |
| O28 | S25 | N27 | H271 | 60.7° | 66.4° |
| O34 | S02 | N01 | H011 | 63.9° | 113.4° |
| O34 | S02 | N01 | H012 | 56.1° | 66.4° |
| O35 | S02 | N01 | H011 | 62.7° | 113.6° |
| O35 | S02 | N01 | H012 | 177.3° | 66.6° |
| H16 | C16 | C15 | H15 | 1.3° | 0.2° |
| H15 | C15 | C14 | H14 | 1.0° | 0.0° |
| H23 | C23 | C22 | H22 | 0.6° | 0.3° |
| H14 | C14 | C13 | H13 | 2.8° | 0.2° |
| H13 | C13 | C12 | H12 | 2.1° | 0.1° |
| H06 | C06 | C07 | H07 | 1.6° | 0.0° |
| H05 | C05 | C04 | H04 | 0.2° | 0.2° |
| H30 | C30 | C29 | H29 | 1.3° | 0.3° |
