LS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C27 | doub | 1.36Å | 1.36Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.40Å | Aromatic |
| N22 | C21 | doub | 1.31Å | 1.31Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.34Å | Aromatic |
| C26 | N25 | doub | 1.31Å | 1.32Å | Aromatic |
| C20 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | O19 | doub | 1.22Å | 1.22Å | |
| C18 | N17 | sing | 1.35Å | 1.36Å | |
| N17 | C6 | sing | 1.40Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | O14 | sing | 1.43Å | 1.44Å | |
| C16 | N11 | sing | 1.47Å | 1.48Å | |
| O14 | C13 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N11 | C7 | sing | 1.40Å | 1.41Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.52Å | 1.52Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | sing | 1.55Å | 1.55Å | |
| O10 | C2 | sing | 1.44Å | 1.44Å | |
| C2 | C29 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C28 | C27 | 118.7° | 119.2° |
| C28 | N23 | N22 | 131.4° | 132.2° |
| C28 | N23 | C24 | 121.1° | 119.7° |
| N23 | C28 | H20 | 120.6° | 120.4° |
| C28 | C27 | C26 | 118.4° | 119.3° |
| C28 | C27 | H19 | 120.8° | 120.4° |
| C27 | C28 | H20 | 120.7° | 120.4° |
| N23 | N22 | C21 | 109.9° | 109.5° |
| N22 | N23 | C24 | 107.5° | 108.1° |
| N22 | C21 | C20 | 108.9° | 108.7° |
| N22 | C21 | H17 | 125.5° | 125.6° |
| N23 | C24 | C20 | 107.1° | 106.7° |
| N23 | C24 | N25 | 120.0° | 120.9° |
| C27 | C26 | N25 | 121.7° | 120.1° |
| C27 | C26 | H18 | 119.2° | 119.9° |
| C26 | C27 | H19 | 120.8° | 120.3° |
| C21 | C20 | C24 | 106.5° | 106.9° |
| C21 | C20 | C18 | 126.5° | 126.6° |
| C20 | C21 | H17 | 125.5° | 125.7° |
| C20 | C24 | N25 | 132.8° | 132.4° |
| C24 | C20 | C18 | 126.9° | 126.5° |
| C24 | N25 | C26 | 120.1° | 120.8° |
| N25 | C26 | H18 | 119.2° | 120.0° |
| C20 | C18 | O19 | 119.3° | 120.0° |
| C20 | C18 | N17 | 117.6° | 120.0° |
| O19 | C18 | N17 | 123.1° | 120.0° |
| C18 | N17 | C6 | 130.3° | 119.9° |
| C18 | N17 | H16 | 114.8° | 120.0° |
| N17 | C6 | C5 | 123.0° | 120.2° |
| N17 | C6 | C7 | 118.3° | 120.2° |
| C6 | N17 | H16 | 114.9° | 120.0° |
| C16 | C15 | O14 | 109.1° | 109.3° |
| C15 | C16 | N11 | 109.8° | 109.2° |
| C16 | C15 | H12 | 109.6° | 109.5° |
| C16 | C15 | H13 | 109.6° | 109.5° |
| C15 | C16 | H14 | 109.4° | 109.6° |
| C15 | C16 | H15 | 109.4° | 109.5° |
| C15 | O14 | C13 | 116.1° | 113.8° |
| O14 | C15 | H12 | 109.6° | 109.5° |
| O14 | C15 | H13 | 109.6° | 109.5° |
| C16 | N11 | C7 | 113.9° | 111.0° |
| C16 | N11 | C12 | 115.6° | 110.7° |
| N11 | C16 | H14 | 109.4° | 109.5° |
| N11 | C16 | H15 | 109.4° | 109.5° |
| O14 | C13 | C12 | 109.7° | 109.2° |
| O14 | C13 | H5 | 109.4° | 109.5° |
| O14 | C13 | H6 | 109.4° | 109.6° |
| C5 | C6 | C7 | 118.7° | 119.6° |
| C6 | C5 | C4 | 121.2° | 120.0° |
| C6 | C5 | H1 | 119.4° | 120.0° |
| C6 | C7 | N11 | 119.0° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.1° |
| C7 | N11 | C12 | 114.4° | 111.0° |
| N11 | C7 | C8 | 121.2° | 119.9° |
| N11 | C12 | C13 | 110.4° | 109.3° |
| N11 | C12 | H3 | 109.3° | 109.5° |
| N11 | C12 | H4 | 109.2° | 109.5° |
| C5 | C4 | C9 | 120.5° | 121.0° |
| C5 | C4 | C3 | 131.9° | 132.0° |
| C4 | C5 | H1 | 119.4° | 120.0° |
| C13 | C12 | H3 | 109.2° | 109.5° |
| C13 | C12 | H4 | 109.3° | 109.5° |
| C12 | C13 | H5 | 109.4° | 109.5° |
| C12 | C13 | H6 | 109.4° | 109.5° |
| C7 | C8 | C9 | 120.9° | 120.3° |
| C7 | C8 | H2 | 119.6° | 119.9° |
| C9 | C4 | C3 | 107.6° | 107.0° |
| C4 | C9 | C8 | 119.0° | 119.0° |
| C4 | C9 | O10 | 111.9° | 111.2° |
| C4 | C3 | C2 | 103.5° | 102.0° |
| C4 | C3 | H7 | 110.9° | 111.0° |
| C4 | C3 | H8 | 110.9° | 110.9° |
| C8 | C9 | O10 | 129.1° | 129.8° |
| C9 | C8 | H2 | 119.6° | 119.8° |
| C9 | O10 | C2 | 111.3° | 109.2° |
| C3 | C2 | O10 | 104.7° | 102.8° |
| C3 | C2 | C29 | 111.0° | 110.8° |
| C3 | C2 | C1 | 110.5° | 110.8° |
| C2 | C3 | H7 | 111.0° | 110.9° |
| C2 | C3 | H8 | 110.9° | 111.0° |
| O10 | C2 | C29 | 109.8° | 110.8° |
| O10 | C2 | C1 | 110.5° | 110.9° |
| C29 | C2 | C1 | 110.3° | 110.7° |
| C2 | C29 | H21 | 109.5° | 109.4° |
| C2 | C29 | H22 | 109.5° | 109.5° |
| C2 | C29 | H23 | 109.4° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 110.8° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.6° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C28 | C27 | H20 | 180.0° | 179.9° |
| C28 | N23 | N22 | C24 | 179.9° | 179.7° |
| C28 | N23 | N22 | C21 | 179.9° | 180.0° |
| N23 | C28 | C27 | C26 | 0.3° | 0.4° |
| C28 | N23 | C24 | C20 | 180.0° | 179.8° |
| C28 | N23 | C24 | N25 | 0.5° | 0.2° |
| N23 | C28 | C27 | H19 | 179.7° | 179.8° |
| C27 | C28 | N23 | N22 | 179.7° | 179.9° |
| C27 | C28 | N23 | C24 | 0.5° | 0.4° |
| C28 | C27 | C26 | H19 | 180.0° | 179.8° |
| C28 | C27 | C26 | N25 | 0.2° | 0.2° |
| C28 | C27 | C26 | H18 | 179.8° | 179.8° |
| N23 | N22 | C21 | C20 | 0.3° | 0.0° |
| N22 | N23 | C24 | C20 | 0.2° | 0.4° |
| N22 | N23 | C24 | N25 | 179.6° | 180.0° |
| N23 | N22 | C21 | H17 | 179.7° | 179.9° |
| N22 | N23 | C28 | H20 | 0.3° | 0.0° |
| C21 | N22 | N23 | C24 | 0.3° | 0.3° |
| N22 | C21 | C20 | H17 | 180.0° | 180.0° |
| N22 | C21 | C20 | C24 | 0.2° | 0.3° |
| N22 | C21 | C20 | C18 | 179.1° | 180.0° |
| N23 | C24 | C20 | C21 | 0.0° | 0.4° |
| N23 | C24 | C20 | N25 | 179.4° | 179.5° |
| N23 | C24 | N25 | C26 | 0.3° | 0.1° |
| N23 | C24 | C20 | C18 | 179.0° | 179.8° |
| C24 | N23 | C28 | H20 | 179.5° | 179.7° |
| C27 | C26 | N25 | C24 | 0.2° | 0.1° |
| C27 | C26 | N25 | H18 | 180.0° | 179.9° |
| C26 | C27 | C28 | H20 | 179.7° | 179.7° |
| C21 | C20 | C24 | C18 | 179.0° | 179.8° |
| C21 | C20 | C24 | N25 | 179.4° | 180.0° |
| C21 | C20 | C18 | O19 | 22.5° | 179.9° |
| C21 | C20 | C18 | N17 | 156.5° | 0.0° |
| C20 | C24 | N25 | C26 | 179.6° | 179.5° |
| C24 | C20 | C18 | O19 | 158.8° | 0.2° |
| C24 | C20 | C18 | N17 | 22.3° | 179.8° |
| C24 | C20 | C21 | H17 | 179.8° | 179.8° |
| N25 | C24 | C20 | C18 | 0.4° | 0.3° |
| C24 | N25 | C26 | H18 | 179.8° | 180.0° |
| N25 | C26 | C27 | H19 | 179.8° | 179.9° |
| C20 | C18 | O19 | N17 | 178.9° | 180.0° |
| C20 | C18 | N17 | C6 | 178.9° | 175.6° |
| C20 | C18 | N17 | H16 | 1.1° | 4.4° |
| C18 | C20 | C21 | H17 | 0.8° | 0.0° |
| O19 | C18 | N17 | C6 | 0.0° | 4.4° |
| O19 | C18 | N17 | H16 | 180.0° | 175.6° |
| C18 | N17 | C6 | H16 | 180.0° | 180.0° |
| C18 | N17 | C6 | C5 | 14.0° | 34.6° |
| C18 | N17 | C6 | C7 | 167.4° | 145.4° |
| N17 | C6 | C5 | C7 | 178.5° | 180.0° |
| N17 | C6 | C7 | N11 | 1.1° | 0.1° |
| N17 | C6 | C5 | C4 | 179.2° | 180.0° |
| N17 | C6 | C7 | C8 | 179.1° | 179.9° |
| N17 | C6 | C5 | H1 | 0.8° | 0.1° |
| C16 | C15 | O14 | H12 | 120.0° | 119.9° |
| C16 | C15 | O14 | H13 | 119.9° | 119.9° |
| C15 | C16 | N11 | H14 | 120.1° | 120.0° |
| C15 | C16 | N11 | H15 | 120.1° | 119.9° |
| C16 | C15 | O14 | C13 | 59.5° | 58.7° |
| C15 | C16 | N11 | C7 | 172.6° | 177.6° |
| C15 | C16 | N11 | C12 | 51.8° | 58.6° |
| C16 | C15 | H12 | H13 | 120.2° | 120.1° |
| C15 | C16 | H14 | H15 | 119.9° | 120.1° |
| O14 | C15 | C16 | N11 | 52.8° | 56.9° |
| C15 | O14 | C13 | C12 | 58.0° | 58.7° |
| C15 | O14 | C13 | H5 | 178.1° | 61.2° |
| C15 | O14 | C13 | H6 | 62.0° | 178.6° |
| O14 | C15 | H12 | H13 | 120.2° | 120.1° |
| O14 | C15 | C16 | H14 | 172.9° | 63.1° |
| O14 | C15 | C16 | H15 | 67.3° | 176.8° |
| C16 | N11 | C7 | C6 | 106.7° | 116.4° |
| C16 | N11 | C7 | C12 | 136.1° | 123.6° |
| C16 | N11 | C12 | C13 | 50.3° | 58.6° |
| C16 | N11 | C7 | C8 | 73.5° | 63.6° |
| C16 | N11 | C12 | H3 | 170.5° | 61.3° |
| C16 | N11 | C12 | H4 | 69.8° | 178.6° |
| N11 | C16 | C15 | H12 | 172.7° | 63.0° |
| N11 | C16 | C15 | H13 | 67.1° | 176.8° |
| N11 | C16 | H14 | H15 | 119.8° | 120.1° |
| O14 | C13 | C12 | N11 | 50.0° | 56.8° |
| O14 | C13 | C12 | H5 | 120.0° | 119.9° |
| O14 | C13 | C12 | H6 | 120.1° | 120.0° |
| O14 | C13 | C12 | H3 | 170.1° | 63.2° |
| O14 | C13 | C12 | H4 | 70.2° | 176.8° |
| O14 | C13 | H5 | H6 | 119.9° | 120.2° |
| C13 | O14 | C15 | H12 | 179.4° | 61.3° |
| C13 | O14 | C15 | H13 | 60.5° | 178.6° |
| C5 | C6 | C7 | N11 | 179.7° | 179.9° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.1° |
| C6 | C5 | C4 | C9 | 0.4° | 0.3° |
| C6 | C5 | C4 | C3 | 180.0° | 179.4° |
| C5 | C6 | N17 | H16 | 166.0° | 145.4° |
| C6 | C7 | N11 | C8 | 179.8° | 180.0° |
| C6 | C7 | N11 | C12 | 117.2° | 120.0° |
| C7 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.4° | 179.9° |
| C6 | C7 | C8 | H2 | 179.9° | 179.9° |
| C7 | C6 | N17 | H16 | 12.5° | 34.6° |
| C7 | N11 | C12 | C13 | 174.3° | 177.6° |
| N11 | C7 | C8 | C9 | 180.0° | 179.9° |
| N11 | C7 | C8 | H2 | 0.0° | 0.0° |
| C7 | N11 | C12 | H3 | 54.1° | 62.4° |
| C7 | N11 | C12 | H4 | 65.6° | 57.7° |
| C7 | N11 | C16 | H14 | 52.6° | 62.4° |
| C7 | N11 | C16 | H15 | 67.3° | 57.7° |
| N11 | C12 | C13 | H3 | 120.2° | 120.0° |
| N11 | C12 | C13 | H4 | 120.1° | 119.9° |
| C12 | N11 | C7 | C8 | 62.7° | 60.0° |
| N11 | C12 | H3 | H4 | 119.6° | 120.1° |
| N11 | C12 | C13 | H5 | 170.0° | 63.1° |
| N11 | C12 | C13 | H6 | 70.1° | 176.8° |
| C12 | N11 | C16 | H14 | 171.9° | 61.4° |
| C12 | N11 | C16 | H15 | 68.3° | 178.5° |
| C5 | C4 | C9 | C3 | 179.7° | 179.8° |
| C5 | C4 | C9 | C8 | 0.1° | 0.4° |
| C5 | C4 | C9 | O10 | 179.8° | 179.1° |
| C5 | C4 | C3 | C2 | 174.5° | 164.3° |
| C5 | C4 | C3 | H7 | 55.4° | 77.5° |
| C5 | C4 | C3 | H8 | 66.5° | 46.1° |
| C13 | C12 | H3 | H4 | 119.6° | 120.1° |
| C12 | C13 | H5 | H6 | 119.8° | 120.1° |
| C7 | C8 | C9 | C4 | 0.1° | 0.3° |
| C7 | C8 | C9 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | O10 | 179.9° | 179.1° |
| C4 | C9 | C8 | O10 | 179.9° | 179.5° |
| C9 | C4 | C3 | C2 | 5.9° | 15.4° |
| C4 | C9 | O10 | C2 | 6.4° | 19.1° |
| C9 | C4 | C5 | H1 | 179.6° | 179.8° |
| C4 | C9 | C8 | H2 | 179.9° | 179.8° |
| C9 | C4 | C3 | H7 | 125.0° | 102.8° |
| C9 | C4 | C3 | H8 | 113.2° | 133.6° |
| C3 | C4 | C9 | C8 | 179.7° | 179.3° |
| C3 | C4 | C9 | O10 | 0.1° | 1.1° |
| C4 | C3 | C2 | H7 | 119.1° | 118.2° |
| C4 | C3 | C2 | H8 | 119.0° | 118.2° |
| C4 | C3 | C2 | O10 | 9.2° | 25.3° |
| C4 | C3 | C2 | C29 | 127.6° | 93.0° |
| C4 | C3 | C2 | C1 | 109.8° | 143.8° |
| C3 | C4 | C5 | H1 | 0.0° | 0.6° |
| C4 | C3 | H7 | H8 | 122.7° | 123.7° |
| C8 | C9 | O10 | C2 | 173.8° | 161.4° |
| C9 | O10 | C2 | C3 | 9.8° | 27.8° |
| C9 | O10 | C2 | C29 | 129.0° | 90.5° |
| C9 | O10 | C2 | C1 | 109.2° | 146.2° |
| O10 | C9 | C8 | H2 | 0.1° | 0.8° |
| C3 | C2 | O10 | C29 | 119.3° | 118.3° |
| C3 | C2 | O10 | C1 | 118.9° | 118.4° |
| C3 | C2 | C29 | C1 | 122.8° | 123.2° |
| C2 | C3 | H7 | H8 | 122.8° | 123.7° |
| C3 | C2 | C1 | H9 | 180.0° | 60.0° |
| C3 | C2 | C1 | H10 | 60.0° | 180.0° |
| C3 | C2 | C1 | H11 | 60.0° | 60.0° |
| C3 | C2 | C29 | H21 | 180.0° | 60.0° |
| C3 | C2 | C29 | H22 | 60.0° | 180.0° |
| C3 | C2 | C29 | H23 | 60.0° | 60.0° |
| O10 | C2 | C29 | C1 | 121.9° | 123.4° |
| O10 | C2 | C3 | H7 | 128.2° | 92.9° |
| O10 | C2 | C3 | H8 | 109.9° | 143.5° |
| O10 | C2 | C1 | H9 | 64.7° | 173.5° |
| O10 | C2 | C1 | H10 | 55.4° | 66.6° |
| O10 | C2 | C1 | H11 | 175.3° | 53.4° |
| O10 | C2 | C29 | H21 | 64.7° | 53.4° |
| O10 | C2 | C29 | H22 | 175.3° | 66.6° |
| O10 | C2 | C29 | H23 | 55.3° | 173.4° |
| C29 | C2 | C3 | H7 | 113.4° | 148.8° |
| C29 | C2 | C3 | H8 | 8.5° | 25.2° |
| C29 | C2 | C1 | H9 | 56.9° | 63.2° |
| C29 | C2 | C1 | H10 | 176.9° | 56.8° |
| C29 | C2 | C1 | H11 | 63.1° | 176.7° |
| C2 | C29 | H21 | H22 | 120.0° | 120.0° |
| C2 | C29 | H21 | H23 | 120.0° | 119.9° |
| C2 | C29 | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | C3 | H7 | 9.3° | 25.6° |
| C1 | C2 | C3 | H8 | 131.2° | 98.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | C29 | H21 | 57.2° | 176.8° |
| C1 | C2 | C29 | H22 | 62.8° | 56.8° |
| C1 | C2 | C29 | H23 | 177.2° | 63.2° |
| H3 | C12 | C13 | H5 | 69.8° | 176.9° |
| H3 | C12 | C13 | H6 | 50.1° | 56.8° |
| H4 | C12 | C13 | H5 | 49.9° | 56.9° |
| H4 | C12 | C13 | H6 | 169.8° | 63.2° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H12 | C15 | C16 | H14 | 67.2° | 177.0° |
| H12 | C15 | C16 | H15 | 52.7° | 56.9° |
| H13 | C15 | C16 | H14 | 52.9° | 56.8° |
| H13 | C15 | C16 | H15 | 172.8° | 63.3° |
| H18 | C26 | C27 | H19 | 0.2° | 0.0° |
| H19 | C27 | C28 | H20 | 0.3° | 0.1° |
| H21 | C29 | H22 | H23 | 120.0° | 120.1° |
