OL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | S | sing | 1.84Å | 1.85Å | |
| C1 | C3 | sing | 1.54Å | 1.54Å | |
| O1 | C4 | doub | 1.21Å | 1.26Å | |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| S | C5 | sing | 1.84Å | 1.82Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C4 | O | sing | 1.34Å | 1.25Å | |
| C9 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.37Å | |
| O5 | C19 | doub | 1.21Å | 1.25Å | |
| C5 | N | sing | 1.49Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C19 | O4 | sing | 1.34Å | 1.25Å | |
| C19 | C6 | sing | 1.51Å | 1.54Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| N1 | C6 | sing | 1.46Å | 1.45Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| O | H21 | sing | 0.97Å | 0.95Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.6° | 120.9° |
| C13 | C14 | C15 | 120.7° | 119.7° |
| C14 | C13 | H15 | 119.7° | 119.5° |
| C13 | C14 | H16 | 119.7° | 120.1° |
| C13 | C12 | C11 | 120.7° | 121.0° |
| C13 | C12 | H14 | 119.7° | 119.5° |
| C12 | C13 | H15 | 119.7° | 119.5° |
| C14 | C15 | C16 | 122.3° | 121.3° |
| C14 | C15 | C10 | 118.9° | 119.3° |
| C15 | C14 | H16 | 119.6° | 120.2° |
| C | C1 | C2 | 110.8° | 110.5° |
| C | C1 | S | 108.8° | 110.6° |
| C | C1 | C3 | 111.1° | 110.6° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.4° | 109.4° |
| C1 | C | H3 | 109.4° | 109.5° |
| C12 | C11 | C10 | 121.0° | 119.6° |
| C12 | C11 | H13 | 119.5° | 120.2° |
| C11 | C12 | H14 | 119.7° | 119.5° |
| C16 | C15 | C10 | 118.9° | 119.4° |
| C15 | C16 | C17 | 120.7° | 119.7° |
| C15 | C16 | H17 | 119.7° | 120.2° |
| C15 | C10 | C11 | 118.2° | 119.4° |
| C15 | C10 | C9 | 118.3° | 119.3° |
| C16 | C17 | C18 | 121.4° | 121.1° |
| C16 | C17 | H18 | 119.3° | 119.5° |
| C17 | C16 | H17 | 119.7° | 120.1° |
| C2 | C1 | S | 110.2° | 110.6° |
| C2 | C1 | C3 | 115.2° | 110.8° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.4° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| S | C1 | C3 | 100.0° | 103.5° |
| C1 | S | C5 | 93.5° | 94.9° |
| C1 | C3 | C4 | 114.5° | 108.8° |
| C1 | C3 | N | 108.6° | 112.8° |
| C1 | C3 | H8 | 108.2° | 108.7° |
| O1 | C4 | C3 | 117.5° | 120.0° |
| O1 | C4 | O | 125.5° | 120.0° |
| C11 | C10 | C9 | 123.5° | 121.3° |
| C10 | C11 | H13 | 119.5° | 120.1° |
| C10 | C9 | C18 | 121.1° | 119.6° |
| C10 | C9 | O2 | 114.4° | 120.2° |
| S | C5 | N | 107.9° | 100.9° |
| S | C5 | C6 | 120.4° | 111.1° |
| S | C5 | H | 104.4° | 111.2° |
| C17 | C18 | C9 | 119.8° | 120.9° |
| C18 | C17 | H18 | 119.3° | 119.5° |
| C17 | C18 | H19 | 120.1° | 119.5° |
| C4 | C3 | N | 107.7° | 108.8° |
| C3 | C4 | O | 117.0° | 120.0° |
| C4 | C3 | H8 | 108.5° | 108.8° |
| C3 | N | C5 | 111.3° | 110.9° |
| N | C3 | H8 | 109.3° | 108.8° |
| C3 | N | H9 | 109.0° | 111.0° |
| C4 | O | H21 | 109.5° | 117.0° |
| C18 | C9 | O2 | 124.5° | 120.2° |
| C9 | C18 | H19 | 120.1° | 119.6° |
| C9 | O2 | C8 | 117.2° | 117.0° |
| O5 | C19 | O4 | 125.6° | 119.9° |
| O5 | C19 | C6 | 117.6° | 120.0° |
| N | C5 | C6 | 108.7° | 111.1° |
| N | C5 | H | 108.2° | 111.1° |
| C5 | N | H9 | 109.0° | 111.0° |
| C5 | C6 | C19 | 113.3° | 109.5° |
| C5 | C6 | N1 | 102.9° | 109.5° |
| C6 | C5 | H | 106.6° | 111.0° |
| C5 | C6 | H1 | 109.0° | 109.5° |
| O4 | C19 | C6 | 116.8° | 120.0° |
| C19 | O4 | H22 | 109.5° | 117.0° |
| C19 | C6 | N1 | 110.9° | 109.5° |
| C19 | C6 | H1 | 109.6° | 109.5° |
| O2 | C8 | C7 | 110.7° | 109.5° |
| O2 | C8 | H11 | 109.2° | 109.5° |
| O2 | C8 | H12 | 109.2° | 109.5° |
| C6 | N1 | C7 | 122.4° | 120.0° |
| N1 | C6 | H1 | 110.8° | 109.5° |
| C6 | N1 | H10 | 118.8° | 120.0° |
| N1 | C7 | C8 | 116.5° | 120.0° |
| N1 | C7 | O3 | 123.0° | 120.0° |
| C7 | N1 | H10 | 118.8° | 120.0° |
| C8 | C7 | O3 | 120.5° | 120.0° |
| C7 | C8 | H11 | 109.2° | 109.4° |
| C7 | C8 | H12 | 109.2° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H4 | C | H2 | 109.5° | 109.4° |
| H4 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H7 | 109.5° | 109.5° |
| H6 | C2 | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C14 | C15 | C16 | 177.9° | 179.9° |
| C13 | C14 | C15 | C10 | 0.7° | 0.1° |
| C14 | C13 | C12 | H14 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C11 | H14 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | H13 | 179.4° | 179.9° |
| C12 | C13 | C14 | H16 | 179.6° | 179.9° |
| C14 | C15 | C16 | C10 | 178.6° | 180.0° |
| C14 | C15 | C16 | C17 | 178.5° | 179.8° |
| C14 | C15 | C10 | C11 | 0.3° | 0.1° |
| C14 | C15 | C10 | C9 | 178.7° | 180.0° |
| C15 | C14 | C13 | H15 | 179.6° | 180.0° |
| C14 | C15 | C16 | H17 | 1.5° | 0.0° |
| C | C1 | C2 | S | 120.5° | 122.9° |
| C | C1 | C2 | C3 | 127.3° | 122.9° |
| C | C1 | S | C3 | 116.5° | 118.5° |
| C | C1 | S | C5 | 146.1° | 136.8° |
| C | C1 | C3 | C4 | 80.5° | 124.5° |
| C | C1 | C3 | N | 159.0° | 114.7° |
| C | C1 | C3 | H8 | 40.6° | 6.2° |
| C1 | C | H4 | H2 | 120.0° | 119.9° |
| C1 | C | H4 | H3 | 120.0° | 120.1° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H5 | 180.0° | 60.7° |
| C | C1 | C2 | H6 | 60.0° | 179.3° |
| C | C1 | C2 | H7 | 60.0° | 59.4° |
| C12 | C11 | C10 | C15 | 0.3° | 0.0° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 178.0° | 180.0° |
| C11 | C12 | C13 | H15 | 179.8° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C15 | C10 | C11 | 178.3° | 179.9° |
| C16 | C15 | C10 | C9 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.5° |
| C16 | C15 | C14 | H16 | 2.1° | 0.0° |
| C15 | C16 | C17 | H18 | 179.8° | 180.0° |
| C10 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C10 | C11 | C9 | 178.3° | 179.9° |
| C15 | C10 | C9 | C18 | 0.1° | 0.0° |
| C15 | C10 | C9 | O2 | 177.9° | 179.7° |
| C15 | C10 | C11 | H13 | 179.7° | 179.9° |
| C10 | C15 | C14 | H16 | 179.4° | 180.0° |
| C10 | C15 | C16 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.5° |
| C16 | C17 | C18 | C9 | 0.2° | 0.5° |
| C16 | C17 | C18 | H19 | 179.8° | 179.5° |
| C2 | C1 | S | C3 | 121.7° | 118.7° |
| C2 | C1 | S | C5 | 92.2° | 100.3° |
| C2 | C1 | C3 | C4 | 46.6° | 1.6° |
| C2 | C1 | C3 | N | 73.9° | 122.5° |
| C2 | C1 | C3 | H8 | 167.7° | 116.7° |
| C2 | C1 | C | H4 | 180.0° | 59.4° |
| C2 | C1 | C | H2 | 60.0° | 179.3° |
| C2 | C1 | C | H3 | 60.0° | 60.7° |
| C1 | C2 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | H5 | H7 | 120.0° | 120.0° |
| C1 | C2 | H6 | H7 | 120.0° | 119.9° |
| S | C1 | C3 | C4 | 164.7° | 117.0° |
| S | C1 | C3 | N | 44.2° | 3.8° |
| C1 | S | C5 | N | 9.1° | 34.6° |
| C1 | S | C5 | C6 | 134.6° | 152.5° |
| C1 | S | C5 | H | 105.8° | 83.3° |
| S | C1 | C3 | H8 | 74.2° | 124.7° |
| S | C1 | C | H4 | 58.6° | 63.5° |
| S | C1 | C | H2 | 178.6° | 56.4° |
| S | C1 | C | H3 | 61.4° | 176.4° |
| S | C1 | C2 | H5 | 59.5° | 176.4° |
| S | C1 | C2 | H6 | 60.6° | 56.4° |
| S | C1 | C2 | H7 | 179.5° | 63.5° |
| C1 | C3 | C4 | O1 | 81.4° | 104.5° |
| C3 | C1 | S | C5 | 29.5° | 18.4° |
| C1 | C3 | C4 | N | 120.9° | 123.3° |
| C1 | C3 | C4 | H8 | 120.9° | 118.3° |
| C1 | C3 | N | H8 | 117.8° | 120.8° |
| C1 | C3 | C4 | O | 100.8° | 75.2° |
| C1 | C3 | N | C5 | 41.6° | 31.8° |
| C1 | C3 | N | H9 | 78.7° | 155.8° |
| C3 | C1 | C | H4 | 50.5° | 177.6° |
| C3 | C1 | C | H2 | 69.5° | 57.7° |
| C3 | C1 | C | H3 | 170.5° | 62.3° |
| C3 | C1 | C2 | H5 | 52.7° | 62.3° |
| C3 | C1 | C2 | H6 | 172.8° | 57.8° |
| C3 | C1 | C2 | H7 | 67.3° | 177.7° |
| O1 | C4 | C3 | O | 177.8° | 179.7° |
| O1 | C4 | C3 | N | 157.7° | 18.8° |
| O1 | C4 | C3 | H8 | 39.5° | 137.2° |
| O1 | C4 | O | H21 | 0.0° | 0.3° |
| C11 | C10 | C9 | C18 | 178.2° | 180.0° |
| C11 | C10 | C9 | O2 | 0.4° | 0.4° |
| C10 | C11 | C12 | H14 | 179.4° | 179.9° |
| C10 | C9 | C18 | C17 | 0.0° | 0.3° |
| C10 | C9 | C18 | O2 | 177.6° | 179.7° |
| C10 | C9 | O2 | C8 | 137.0° | 179.7° |
| C9 | C10 | C11 | H13 | 2.0° | 0.1° |
| C10 | C9 | C18 | H19 | 180.0° | 179.7° |
| S | C5 | N | C3 | 16.7° | 42.5° |
| S | C5 | N | C6 | 132.1° | 117.9° |
| S | C5 | N | H | 112.5° | 118.0° |
| S | C5 | C6 | H | 118.5° | 124.3° |
| S | C5 | C6 | C19 | 72.2° | 51.5° |
| S | C5 | C6 | N1 | 47.7° | 68.5° |
| S | C5 | C6 | H1 | 165.4° | 171.5° |
| S | C5 | N | H9 | 103.6° | 166.4° |
| C17 | C18 | C9 | H19 | 180.0° | 180.0° |
| C17 | C18 | C9 | O2 | 177.6° | 179.9° |
| C18 | C17 | C16 | H17 | 179.8° | 179.7° |
| C4 | C3 | N | H8 | 117.7° | 118.3° |
| C4 | C3 | N | C5 | 166.1° | 89.0° |
| C4 | C3 | N | H9 | 45.8° | 34.9° |
| C3 | C4 | O | H21 | 177.6° | 180.0° |
| N | C3 | C4 | O | 20.1° | 161.5° |
| C3 | N | C5 | H9 | 120.3° | 123.9° |
| C3 | N | C5 | C6 | 115.4° | 160.4° |
| C3 | N | C5 | H | 129.1° | 75.5° |
| O | C4 | C3 | H8 | 138.2° | 43.1° |
| C18 | C9 | O2 | C8 | 45.3° | 0.1° |
| C9 | C18 | C17 | H18 | 179.8° | 180.0° |
| C9 | O2 | C8 | C7 | 142.0° | 180.0° |
| C9 | O2 | C8 | H11 | 21.8° | 60.0° |
| C9 | O2 | C8 | H12 | 97.9° | 60.0° |
| O2 | C9 | C18 | H19 | 2.4° | 0.1° |
| O5 | C19 | C6 | C5 | 114.9° | 120.0° |
| O5 | C19 | O4 | C6 | 177.0° | 179.9° |
| O5 | C19 | C6 | N1 | 0.3° | 0.0° |
| O5 | C19 | C6 | H1 | 123.0° | 120.0° |
| O5 | C19 | O4 | H22 | 0.0° | 0.1° |
| N | C5 | C6 | H | 116.5° | 124.2° |
| N | C5 | C6 | C19 | 52.9° | 60.0° |
| N | C5 | C6 | N1 | 172.8° | 180.0° |
| N | C5 | C6 | H1 | 69.5° | 60.0° |
| C5 | N | C3 | H8 | 76.2° | 152.6° |
| C5 | C6 | C19 | O4 | 67.8° | 60.0° |
| C5 | C6 | C19 | N1 | 115.2° | 120.0° |
| C5 | C6 | C19 | H1 | 122.1° | 120.0° |
| C5 | C6 | N1 | H1 | 116.4° | 120.0° |
| C5 | C6 | N1 | C7 | 114.6° | 155.0° |
| C6 | C5 | N | H9 | 124.3° | 75.7° |
| C5 | C6 | N1 | H10 | 65.5° | 25.0° |
| O4 | C19 | C6 | N1 | 177.0° | 180.0° |
| O4 | C19 | C6 | H1 | 54.3° | 60.0° |
| C19 | C6 | N1 | H1 | 122.0° | 120.0° |
| C19 | C6 | N1 | C7 | 123.9° | 85.0° |
| C19 | C6 | C5 | H | 169.4° | 175.8° |
| C19 | C6 | N1 | H10 | 56.1° | 95.0° |
| C6 | C19 | O4 | H22 | 177.1° | 180.0° |
| O2 | C8 | C7 | N1 | 79.1° | 180.0° |
| O2 | C8 | C7 | H11 | 120.2° | 120.0° |
| O2 | C8 | C7 | H12 | 120.2° | 120.0° |
| O2 | C8 | C7 | O3 | 100.8° | 0.0° |
| O2 | C8 | H11 | H12 | 119.5° | 120.0° |
| C6 | N1 | C7 | H10 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 166.8° | 180.0° |
| C6 | N1 | C7 | O3 | 13.3° | 0.0° |
| N1 | C6 | C5 | H | 70.7° | 55.8° |
| N1 | C7 | C8 | O3 | 179.9° | 180.0° |
| C7 | N1 | C6 | H1 | 1.8° | 35.0° |
| N1 | C7 | C8 | H11 | 41.1° | 60.0° |
| N1 | C7 | C8 | H12 | 160.7° | 60.0° |
| C7 | C8 | H11 | H12 | 119.4° | 120.0° |
| C8 | C7 | N1 | H10 | 13.2° | 0.0° |
| O3 | C7 | C8 | H11 | 139.0° | 120.0° |
| O3 | C7 | C8 | H12 | 19.4° | 120.0° |
| O3 | C7 | N1 | H10 | 166.8° | 180.0° |
| H | C5 | C6 | H1 | 47.0° | 64.2° |
| H | C5 | N | H9 | 8.9° | 48.4° |
| H1 | C6 | N1 | H10 | 178.1° | 145.0° |
| H13 | C11 | C12 | H14 | 0.6° | 0.0° |
| H14 | C12 | C13 | H15 | 0.2° | 0.0° |
| H15 | C13 | C14 | H16 | 0.4° | 0.1° |
| H8 | C3 | N | H9 | 163.5° | 83.5° |
| H18 | C17 | C18 | H19 | 0.2° | 0.0° |
| H18 | C17 | C16 | H17 | 0.2° | 0.2° |
| H4 | C | H2 | H3 | 120.0° | 120.0° |
| H5 | C2 | H6 | H7 | 120.0° | 120.0° |
