L67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C11 | sing | 1.54Å | 1.35Å | |
| C13 | C14 | sing | 1.54Å | 1.59Å | |
| C15 | C12 | sing | 1.55Å | 1.31Å | |
| C15 | C14 | sing | 1.55Å | 1.64Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | O20 | doub | 1.21Å | 1.27Å | |
| C17 | O21 | sing | 1.34Å | 1.24Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C07 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | C09 | sing | 1.47Å | 1.54Å | |
| C07 | C08 | sing | 1.51Å | 1.51Å | |
| C08 | O18 | doub | 1.21Å | 1.27Å | |
| C08 | O19 | sing | 1.34Å | 1.25Å | |
| C09 | C11 | sing | 1.51Å | 1.50Å | |
| C09 | O10 | doub | 1.21Å | 1.23Å | |
| C12 | C16 | sing | 1.53Å | 1.59Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å | |
| C12 | C11 | sing | 1.54Å | 1.71Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C13 | C14 | 103.0° | 106.6° |
| C13 | C11 | C09 | 106.8° | 110.0° |
| C11 | C13 | H1 | 111.1° | 110.0° |
| C11 | C13 | H2 | 111.0° | 110.0° |
| C13 | C11 | H11 | 113.3° | 110.0° |
| C13 | C11 | C12 | 103.8° | 106.6° |
| C13 | C14 | C15 | 105.4° | 104.2° |
| C14 | C13 | H1 | 111.1° | 110.0° |
| C14 | C13 | H2 | 111.1° | 110.1° |
| C13 | C14 | H15 | 110.5° | 110.5° |
| C13 | C14 | H16 | 110.5° | 110.4° |
| C12 | C15 | C14 | 101.9° | 102.8° |
| C15 | C12 | C16 | 111.4° | 110.5° |
| C12 | C15 | H3 | 111.3° | 110.8° |
| C12 | C15 | H4 | 111.3° | 110.7° |
| C15 | C12 | H13 | 113.1° | 110.5° |
| C15 | C12 | C11 | 101.5° | 104.2° |
| C14 | C15 | H3 | 111.3° | 110.8° |
| C14 | C15 | H4 | 111.3° | 110.7° |
| C15 | C14 | H15 | 110.5° | 110.5° |
| C15 | C14 | H16 | 110.5° | 110.5° |
| C16 | C17 | O20 | 121.2° | 120.0° |
| C16 | C17 | O21 | 121.6° | 120.0° |
| C17 | C16 | C12 | 115.7° | 109.4° |
| C17 | C16 | H17 | 107.9° | 109.4° |
| C17 | C16 | H18 | 107.9° | 109.5° |
| O20 | C17 | O21 | 117.2° | 120.0° |
| C17 | O21 | H20 | 109.5° | 117.0° |
| C02 | C01 | C06 | 120.0° | 119.8° |
| C01 | C02 | C03 | 119.8° | 120.2° |
| C02 | C01 | H5 | 120.0° | 120.1° |
| C01 | C02 | H6 | 120.1° | 119.9° |
| C01 | C06 | C05 | 121.2° | 119.7° |
| C01 | C06 | C09 | 115.1° | 120.2° |
| C06 | C01 | H5 | 120.0° | 120.1° |
| C02 | C03 | C04 | 120.9° | 120.4° |
| C02 | C03 | C07 | 115.7° | 119.8° |
| C03 | C02 | H6 | 120.1° | 120.0° |
| C04 | C03 | C07 | 123.3° | 119.8° |
| C03 | C04 | C05 | 118.5° | 120.2° |
| C03 | C04 | H7 | 120.7° | 119.9° |
| C03 | C07 | C08 | 111.1° | 109.5° |
| C03 | C07 | H9 | 109.1° | 109.5° |
| C03 | C07 | H10 | 109.1° | 109.5° |
| C04 | C05 | C06 | 119.5° | 119.8° |
| C05 | C04 | H7 | 120.7° | 119.9° |
| C04 | C05 | H8 | 120.3° | 120.1° |
| C05 | C06 | C09 | 123.7° | 120.1° |
| C06 | C05 | H8 | 120.3° | 120.1° |
| C06 | C09 | C11 | 121.3° | 120.0° |
| C06 | C09 | O10 | 118.2° | 120.0° |
| C07 | C08 | O18 | 120.0° | 120.0° |
| C07 | C08 | O19 | 119.1° | 120.0° |
| C08 | C07 | H9 | 109.1° | 109.5° |
| C08 | C07 | H10 | 109.1° | 109.5° |
| O18 | C08 | O19 | 120.9° | 120.0° |
| C08 | O19 | H19 | 109.5° | 117.0° |
| C11 | C09 | O10 | 120.5° | 120.0° |
| C09 | C11 | H11 | 110.9° | 110.0° |
| C09 | C11 | C12 | 113.8° | 110.1° |
| C16 | C12 | H13 | 108.9° | 110.5° |
| C12 | C16 | H17 | 107.9° | 109.5° |
| C12 | C16 | H18 | 107.9° | 109.5° |
| C16 | C12 | C11 | 114.3° | 110.4° |
| H1 | C13 | H2 | 109.5° | 110.0° |
| H3 | C15 | H4 | 109.5° | 110.8° |
| H9 | C07 | H10 | 109.4° | 109.5° |
| H11 | C11 | C12 | 108.1° | 110.1° |
| H13 | C12 | C11 | 107.5° | 110.6° |
| H15 | C14 | H16 | 109.5° | 110.6° |
| H17 | C16 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C13 | C14 | H1 | 119.0° | 119.3° |
| C11 | C13 | C14 | H2 | 118.9° | 119.3° |
| C13 | C11 | C12 | C15 | 52.5° | 23.6° |
| C11 | C13 | C14 | C15 | 9.4° | 23.7° |
| C13 | C11 | C09 | C06 | 74.6° | 86.5° |
| C13 | C11 | C09 | H11 | 123.9° | 121.4° |
| C13 | C11 | C09 | C12 | 114.0° | 117.1° |
| C13 | C11 | C09 | O10 | 102.5° | 93.6° |
| C13 | C11 | C12 | C16 | 172.5° | 142.3° |
| C11 | C13 | H1 | H2 | 123.0° | 121.4° |
| C13 | C11 | H11 | C12 | 114.5° | 117.1° |
| C13 | C11 | C12 | H13 | 66.5° | 95.1° |
| C11 | C13 | C14 | H15 | 128.8° | 95.1° |
| C11 | C13 | C14 | H16 | 109.9° | 142.3° |
| C13 | C14 | C15 | C12 | 25.0° | 38.0° |
| C13 | C14 | C15 | H15 | 119.3° | 118.7° |
| C13 | C14 | C15 | H16 | 119.3° | 118.6° |
| C14 | C13 | C11 | C09 | 152.8° | 119.3° |
| C14 | C13 | H1 | H2 | 123.0° | 121.4° |
| C13 | C14 | C15 | H3 | 93.8° | 80.3° |
| C13 | C14 | C15 | H4 | 143.7° | 156.3° |
| C14 | C13 | C11 | H11 | 84.8° | 119.4° |
| C13 | C14 | H15 | H16 | 121.9° | 122.6° |
| C14 | C13 | C11 | C12 | 32.2° | 0.0° |
| C12 | C15 | C14 | H3 | 118.7° | 118.3° |
| C12 | C15 | C14 | H4 | 118.8° | 118.3° |
| C15 | C12 | C16 | C17 | 172.6° | 66.5° |
| C15 | C12 | C11 | C09 | 168.2° | 142.9° |
| C15 | C12 | C16 | H13 | 125.5° | 122.6° |
| C15 | C12 | C16 | C11 | 114.3° | 114.8° |
| C12 | C15 | H3 | H4 | 123.5° | 123.3° |
| C15 | C12 | C11 | H11 | 68.1° | 95.7° |
| C15 | C12 | H13 | C11 | 111.2° | 114.8° |
| C12 | C15 | C14 | H15 | 94.4° | 80.7° |
| C12 | C15 | C14 | H16 | 144.3° | 156.6° |
| C15 | C12 | C16 | H17 | 51.7° | 173.6° |
| C15 | C12 | C16 | H18 | 66.5° | 53.5° |
| C14 | C15 | C12 | C16 | 163.5° | 156.6° |
| C15 | C14 | C13 | H1 | 109.5° | 142.9° |
| C15 | C14 | C13 | H2 | 128.4° | 95.6° |
| C14 | C15 | H3 | H4 | 123.5° | 123.3° |
| C14 | C15 | C12 | H13 | 73.4° | 80.8° |
| C15 | C14 | H15 | H16 | 121.9° | 122.6° |
| C14 | C15 | C12 | C11 | 41.5° | 38.0° |
| C16 | C17 | O20 | O21 | 179.2° | 179.9° |
| C17 | C16 | C12 | H17 | 120.9° | 119.9° |
| C17 | C16 | C12 | H18 | 120.9° | 120.0° |
| C17 | C16 | C12 | H13 | 61.9° | 56.1° |
| C17 | C16 | H17 | H18 | 117.2° | 120.0° |
| C16 | C17 | O21 | H20 | 179.1° | 180.0° |
| C17 | C16 | C12 | C11 | 58.3° | 178.7° |
| O20 | C17 | C16 | C12 | 94.1° | 0.0° |
| O20 | C17 | C16 | H17 | 26.8° | 120.0° |
| O20 | C17 | C16 | H18 | 145.0° | 120.0° |
| O20 | C17 | O21 | H20 | 0.0° | 0.0° |
| O21 | C17 | C16 | C12 | 85.0° | 180.0° |
| O21 | C17 | C16 | H17 | 154.1° | 60.0° |
| O21 | C17 | C16 | H18 | 35.9° | 60.0° |
| C02 | C01 | C06 | H5 | 180.0° | 179.7° |
| C01 | C02 | C03 | H6 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.1° | 0.1° |
| C01 | C02 | C03 | C07 | 179.4° | 180.0° |
| C02 | C01 | C06 | C05 | 0.9° | 0.0° |
| C02 | C01 | C06 | C09 | 179.8° | 180.0° |
| C06 | C01 | C02 | C03 | 1.3° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C01 | C06 | C05 | C09 | 179.3° | 180.0° |
| C01 | C06 | C09 | C11 | 152.3° | 180.0° |
| C01 | C06 | C09 | O10 | 24.9° | 0.1° |
| C06 | C01 | C02 | H6 | 178.7° | 180.0° |
| C01 | C06 | C05 | H8 | 179.8° | 179.9° |
| C02 | C03 | C04 | C07 | 179.4° | 179.9° |
| C02 | C03 | C04 | C05 | 0.4° | 0.2° |
| C02 | C03 | C07 | C08 | 159.8° | 90.0° |
| C03 | C02 | C01 | H5 | 178.7° | 179.7° |
| C02 | C03 | C04 | H7 | 179.6° | 179.9° |
| C02 | C03 | C07 | H9 | 79.9° | 150.0° |
| C02 | C03 | C07 | H10 | 39.5° | 30.0° |
| C03 | C04 | C05 | H7 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C04 | C03 | C07 | C08 | 19.7° | 90.1° |
| C04 | C03 | C02 | H6 | 178.9° | 179.9° |
| C03 | C04 | C05 | H8 | 180.0° | 180.0° |
| C04 | C03 | C07 | H9 | 100.6° | 29.9° |
| C04 | C03 | C07 | H10 | 139.9° | 149.9° |
| C07 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C07 | C08 | H9 | 120.3° | 120.0° |
| C03 | C07 | C08 | H10 | 120.3° | 120.0° |
| C03 | C07 | C08 | O18 | 73.5° | 0.0° |
| C03 | C07 | C08 | O19 | 107.3° | 180.0° |
| C07 | C03 | C02 | H6 | 0.6° | 0.1° |
| C07 | C03 | C04 | H7 | 0.1° | 0.1° |
| C03 | C07 | H9 | H10 | 119.3° | 120.0° |
| C04 | C05 | C06 | H8 | 180.0° | 179.8° |
| C04 | C05 | C06 | C09 | 179.5° | 179.9° |
| C05 | C06 | C09 | C11 | 27.0° | 0.0° |
| C05 | C06 | C09 | O10 | 155.8° | 179.9° |
| C05 | C06 | C01 | H5 | 179.2° | 179.7° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C06 | C09 | C11 | O10 | 177.1° | 179.9° |
| C09 | C06 | C01 | H5 | 0.2° | 0.3° |
| C09 | C06 | C05 | H8 | 0.5° | 0.1° |
| C06 | C09 | C11 | H11 | 49.3° | 34.9° |
| C06 | C09 | C11 | C12 | 171.5° | 156.4° |
| C07 | C08 | O18 | O19 | 179.2° | 179.9° |
| C08 | C07 | H9 | H10 | 119.3° | 120.0° |
| C07 | C08 | O19 | H19 | 179.2° | 180.0° |
| O18 | C08 | C07 | H9 | 46.8° | 120.0° |
| O18 | C08 | C07 | H10 | 166.3° | 120.0° |
| O18 | C08 | O19 | H19 | 0.0° | 0.1° |
| O19 | C08 | C07 | H9 | 132.4° | 60.0° |
| O19 | C08 | C07 | H10 | 12.9° | 60.0° |
| C09 | C11 | C12 | C16 | 71.7° | 98.5° |
| C09 | C11 | C13 | H1 | 33.9° | 0.0° |
| C09 | C11 | C13 | H2 | 88.2° | 121.4° |
| C09 | C11 | H11 | C12 | 125.5° | 121.5° |
| C09 | C11 | C12 | H13 | 49.2° | 24.1° |
| O10 | C09 | C11 | H11 | 133.7° | 145.0° |
| O10 | C09 | C11 | C12 | 11.5° | 23.5° |
| C16 | C12 | C15 | H3 | 44.8° | 38.3° |
| C16 | C12 | C15 | H4 | 77.7° | 85.1° |
| C16 | C12 | C11 | H11 | 51.9° | 23.0° |
| C16 | C12 | H13 | C11 | 124.3° | 122.6° |
| C12 | C16 | H17 | H18 | 117.2° | 120.1° |
| H1 | C13 | C11 | H11 | 156.2° | 121.4° |
| H1 | C13 | C14 | H15 | 9.8° | 24.2° |
| H1 | C13 | C14 | H16 | 131.1° | 98.4° |
| H1 | C13 | C11 | C12 | 86.7° | 119.3° |
| H2 | C13 | C11 | H11 | 34.1° | 0.0° |
| H2 | C13 | C14 | H15 | 112.3° | 145.6° |
| H2 | C13 | C14 | H16 | 9.0° | 23.0° |
| H2 | C13 | C11 | C12 | 151.2° | 119.3° |
| H3 | C15 | C12 | H13 | 167.8° | 160.9° |
| H3 | C15 | C14 | H15 | 146.9° | 161.0° |
| H3 | C15 | C14 | H16 | 25.6° | 38.3° |
| H3 | C15 | C12 | C11 | 77.3° | 80.4° |
| H4 | C15 | C12 | H13 | 45.4° | 37.5° |
| H4 | C15 | C14 | H15 | 24.4° | 37.6° |
| H4 | C15 | C14 | H16 | 96.9° | 85.1° |
| H4 | C15 | C12 | C11 | 160.3° | 156.3° |
| H5 | C01 | C02 | H6 | 1.3° | 0.3° |
| H7 | C04 | C05 | H8 | 0.0° | 0.1° |
| H11 | C11 | C12 | H13 | 172.9° | 145.6° |
| H13 | C12 | C16 | H17 | 177.1° | 63.8° |
| H13 | C12 | C16 | H18 | 59.0° | 176.1° |
| H17 | C16 | C12 | C11 | 62.6° | 58.8° |
| H18 | C16 | C12 | C11 | 179.2° | 61.3° |
