BSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C05 | sing | 1.51Å | 1.48Å | |
| O09 | C08 | doub | 1.22Å | 1.26Å | |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| O12 | C11 | sing | 1.35Å | 1.38Å | |
| C08 | C07 | sing | 1.48Å | 1.50Å | |
| C08 | C10 | sing | 1.47Å | 1.48Å | |
| C07 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | doub | 1.35Å | 1.35Å | |
| C11 | C13 | sing | 1.48Å | 1.49Å | |
| O15 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | O14 | sing | 1.35Å | 1.36Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C18 | C17 | 60.5° | 60.0° |
| C18 | C16 | C17 | 59.1° | 60.0° |
| C18 | C16 | C05 | 125.8° | 117.5° |
| C18 | C16 | H12 | 111.7° | 117.6° |
| C16 | C18 | H13 | 119.9° | 117.6° |
| C16 | C18 | H14 | 119.9° | 117.4° |
| C18 | C17 | C16 | 60.4° | 60.0° |
| C18 | C17 | H3 | 120.0° | 117.4° |
| C18 | C17 | H4 | 120.0° | 117.6° |
| C17 | C18 | H13 | 119.9° | 117.6° |
| C17 | C18 | H14 | 119.9° | 117.4° |
| C17 | C16 | C05 | 126.4° | 117.5° |
| C16 | C17 | H3 | 119.9° | 117.5° |
| C16 | C17 | H4 | 119.9° | 117.5° |
| C17 | C16 | H12 | 111.6° | 117.5° |
| C16 | C05 | C06 | 122.3° | 119.9° |
| C16 | C05 | C04 | 120.4° | 120.0° |
| C05 | C16 | H12 | 112.2° | 115.5° |
| O09 | C08 | C07 | 117.4° | 120.0° |
| O09 | C08 | C10 | 119.1° | 120.0° |
| C05 | C06 | C07 | 122.0° | 119.9° |
| C06 | C05 | C04 | 117.3° | 120.1° |
| C05 | C06 | H10 | 119.0° | 120.0° |
| C06 | C07 | C08 | 116.7° | 120.1° |
| C06 | C07 | C02 | 119.4° | 119.7° |
| C07 | C06 | H10 | 119.0° | 120.1° |
| C05 | C04 | C03 | 121.7° | 120.3° |
| C05 | C04 | H9 | 119.1° | 119.8° |
| O12 | C11 | C10 | 124.4° | 120.0° |
| O12 | C11 | C13 | 108.7° | 120.0° |
| C11 | O12 | H15 | 109.5° | 114.0° |
| C07 | C08 | C10 | 123.4° | 120.0° |
| C08 | C07 | C02 | 123.9° | 120.2° |
| C08 | C10 | C11 | 123.5° | 120.0° |
| C08 | C10 | H1 | 118.2° | 120.0° |
| C07 | C02 | C03 | 118.1° | 119.8° |
| C07 | C02 | C01 | 124.1° | 120.1° |
| C04 | C03 | C02 | 121.5° | 120.2° |
| C04 | C03 | H8 | 119.3° | 119.9° |
| C03 | C04 | H9 | 119.2° | 119.9° |
| C03 | C02 | C01 | 117.7° | 120.0° |
| C02 | C03 | H8 | 119.2° | 119.9° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C10 | C11 | C13 | 120.9° | 120.0° |
| C11 | C10 | H1 | 118.3° | 120.0° |
| C11 | C13 | O15 | 124.0° | 120.0° |
| C11 | C13 | O14 | 116.9° | 120.0° |
| O15 | C13 | O14 | 118.5° | 120.0° |
| C13 | O14 | H16 | 109.5° | 117.0° |
| H3 | C17 | H4 | 109.5° | 115.6° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C18 | C17 | H13 | 109.6° | 107.6° |
| C16 | C18 | C17 | H14 | 109.6° | 107.5° |
| C18 | C16 | C17 | C05 | 114.0° | 107.4° |
| C18 | C16 | C17 | H12 | 103.0° | 107.5° |
| C18 | C16 | C05 | H12 | 141.9° | 145.7° |
| C18 | C16 | C05 | C06 | 141.5° | 171.4° |
| C18 | C16 | C05 | C04 | 39.1° | 8.6° |
| C16 | C18 | C17 | H3 | 109.6° | 107.5° |
| C16 | C18 | C17 | H4 | 109.6° | 107.5° |
| C16 | C18 | H13 | H14 | 144.4° | 145.7° |
| C18 | C17 | H3 | H4 | 144.6° | 145.7° |
| C17 | C18 | H13 | H14 | 144.5° | 145.6° |
| C17 | C16 | C05 | H12 | 142.8° | 145.7° |
| C17 | C16 | C05 | C06 | 143.3° | 120.0° |
| C17 | C16 | C05 | C04 | 36.1° | 60.0° |
| C16 | C17 | H3 | H4 | 144.5° | 145.7° |
| C16 | C05 | C06 | C04 | 179.4° | 180.0° |
| C16 | C05 | C06 | C07 | 178.7° | 179.8° |
| C16 | C05 | C04 | C03 | 179.7° | 180.0° |
| C05 | C16 | C17 | H3 | 136.4° | 0.0° |
| C05 | C16 | C17 | H4 | 4.4° | 145.0° |
| C16 | C05 | C04 | H9 | 0.3° | 0.0° |
| C16 | C05 | C06 | H10 | 1.3° | 0.0° |
| C05 | C16 | C18 | H13 | 135.5° | 0.1° |
| C05 | C16 | C18 | H14 | 5.3° | 145.1° |
| O09 | C08 | C07 | C06 | 46.7° | 174.0° |
| O09 | C08 | C07 | C10 | 178.8° | 180.0° |
| O09 | C08 | C07 | C02 | 129.2° | 5.5° |
| O09 | C08 | C10 | C11 | 5.4° | 0.4° |
| O09 | C08 | C10 | H1 | 174.6° | 180.0° |
| C05 | C06 | C07 | H10 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 177.1° | 179.9° |
| C05 | C06 | C07 | C02 | 1.0° | 0.4° |
| C06 | C05 | C04 | C03 | 0.3° | 0.0° |
| C06 | C05 | C04 | H9 | 179.7° | 180.0° |
| C06 | C05 | C16 | H12 | 0.5° | 25.7° |
| C07 | C06 | C05 | C04 | 0.7° | 0.2° |
| C06 | C07 | C08 | C02 | 175.9° | 179.5° |
| C06 | C07 | C08 | C10 | 132.1° | 6.1° |
| C06 | C07 | C02 | C03 | 0.4° | 0.5° |
| C06 | C07 | C02 | C01 | 177.9° | 179.8° |
| C05 | C04 | C03 | H9 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.8° | 0.0° |
| C05 | C04 | C03 | H8 | 179.1° | 180.0° |
| C04 | C05 | C06 | H10 | 179.3° | 180.0° |
| C04 | C05 | C16 | H12 | 178.9° | 154.3° |
| O12 | C11 | C10 | C08 | 21.0° | 0.4° |
| O12 | C11 | C10 | C13 | 149.7° | 179.9° |
| O12 | C11 | C13 | O15 | 31.2° | 180.0° |
| O12 | C11 | C13 | O14 | 157.8° | 0.1° |
| O12 | C11 | C10 | H1 | 159.0° | 180.0° |
| C08 | C07 | C02 | C03 | 176.2° | 180.0° |
| C08 | C07 | C02 | C01 | 2.1° | 0.3° |
| C07 | C08 | C10 | C11 | 175.9° | 179.7° |
| C07 | C08 | C10 | H1 | 4.1° | 0.1° |
| C08 | C07 | C06 | H10 | 2.9° | 0.2° |
| C10 | C08 | C07 | C02 | 52.0° | 174.4° |
| C08 | C10 | C11 | H1 | 180.0° | 179.6° |
| C08 | C10 | C11 | C13 | 128.6° | 179.7° |
| C07 | C02 | C03 | C04 | 0.5° | 0.3° |
| C07 | C02 | C03 | C01 | 178.4° | 179.7° |
| C07 | C02 | C01 | H5 | 90.9° | 83.6° |
| C07 | C02 | C01 | H6 | 149.0° | 36.4° |
| C07 | C02 | C01 | H7 | 29.1° | 156.4° |
| C07 | C02 | C03 | H8 | 179.5° | 179.8° |
| C02 | C07 | C06 | H10 | 179.0° | 179.7° |
| C04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 178.9° | 180.0° |
| C03 | C02 | C01 | H5 | 90.7° | 96.7° |
| C03 | C02 | C01 | H6 | 29.3° | 143.3° |
| C03 | C02 | C01 | H7 | 149.3° | 23.3° |
| C02 | C03 | C04 | H9 | 179.2° | 179.9° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H8 | 1.1° | 0.0° |
| C10 | C11 | C13 | O15 | 122.7° | 0.1° |
| C10 | C11 | C13 | O14 | 48.2° | 180.0° |
| C10 | C11 | O12 | H15 | 140.0° | 179.9° |
| C11 | C13 | O15 | O14 | 170.8° | 180.0° |
| C13 | C11 | C10 | H1 | 51.4° | 0.1° |
| C13 | C11 | O12 | H15 | 12.7° | 0.1° |
| C11 | C13 | O14 | H16 | 171.4° | 179.9° |
| O15 | C13 | O14 | H16 | 0.0° | 0.0° |
| H3 | C17 | C16 | H12 | 6.6° | 145.0° |
| H3 | C17 | C18 | H13 | 0.0° | 0.1° |
| H3 | C17 | C18 | H14 | 140.8° | 145.0° |
| H4 | C17 | C16 | H12 | 147.4° | 0.0° |
| H4 | C17 | C18 | H13 | 140.9° | 145.0° |
| H4 | C17 | C18 | H14 | 0.1° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.1° |
| H8 | C03 | C04 | H9 | 0.9° | 0.0° |
| H12 | C16 | C18 | H13 | 6.7° | 145.0° |
| H12 | C16 | C18 | H14 | 147.4° | 0.1° |
