VIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C01 | C06 | sing | 1.53Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.48Å | |
| C05 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | O08 | doub | 1.21Å | 1.21Å | |
| C07 | O09 | sing | 1.34Å | 1.24Å | |
| C04 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.48Å | 1.47Å | |
| C11 | O13 | doub | 1.22Å | 1.24Å | |
| C12 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | O19 | sing | 1.43Å | 1.41Å | |
| O19 | C20 | sing | 1.36Å | 1.45Å | |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | CL26 | sing | 1.74Å | 1.71Å | |
| C01 | H27 | sing | 1.09Å | 1.10Å | |
| C01 | H28 | sing | 1.09Å | 1.10Å | |
| C02 | H29 | sing | 1.09Å | 1.10Å | |
| C04 | H32 | sing | 1.09Å | 1.10Å | |
| C05 | H33 | sing | 1.09Å | 1.10Å | |
| C06 | H34 | sing | 1.09Å | 1.10Å | |
| C06 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.08Å | 1.08Å | |
| C17 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C21 | H42 | sing | 1.08Å | 1.08Å | |
| C22 | H43 | sing | 1.08Å | 1.08Å | |
| C23 | H44 | sing | 1.08Å | 1.08Å | |
| C24 | H45 | sing | 1.08Å | 1.08Å | |
| C25 | H46 | sing | 1.08Å | 1.08Å | |
| C03 | H31 | sing | 1.09Å | 1.10Å | |
| C03 | H30 | sing | 1.09Å | 1.10Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| C14 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 108.6° | 109.4° |
| C02 | C01 | C06 | 110.2° | 109.5° |
| C01 | C02 | O19 | 109.4° | 109.5° |
| C02 | C01 | H27 | 109.3° | 109.5° |
| C02 | C01 | H28 | 109.3° | 109.5° |
| C01 | C02 | H29 | 107.3° | 109.4° |
| C02 | C03 | C04 | 104.4° | 109.5° |
| C03 | C02 | O19 | 115.9° | 109.5° |
| C03 | C02 | H29 | 107.0° | 109.5° |
| C02 | C03 | H31 | 110.7° | 109.5° |
| C02 | C03 | H30 | 110.7° | 109.5° |
| C03 | C04 | C05 | 115.0° | 109.5° |
| C03 | C04 | N10 | 111.3° | 109.5° |
| C03 | C04 | H32 | 106.5° | 109.5° |
| C04 | C03 | H31 | 110.7° | 109.4° |
| C04 | C03 | H30 | 110.7° | 109.5° |
| C04 | C05 | C06 | 110.1° | 109.5° |
| C04 | C05 | C07 | 115.1° | 109.5° |
| C05 | C04 | N10 | 109.8° | 109.5° |
| C05 | C04 | H32 | 106.5° | 109.5° |
| C04 | C05 | H33 | 106.1° | 109.5° |
| C01 | C06 | C05 | 113.4° | 109.4° |
| C06 | C01 | H27 | 109.3° | 109.5° |
| C06 | C01 | H28 | 109.3° | 109.5° |
| C01 | C06 | H34 | 108.5° | 109.5° |
| C01 | C06 | H35 | 108.5° | 109.4° |
| C06 | C05 | C07 | 111.8° | 109.4° |
| C06 | C05 | H33 | 106.8° | 109.5° |
| C05 | C06 | H34 | 108.5° | 109.5° |
| C05 | C06 | H35 | 108.5° | 109.5° |
| C05 | C07 | O08 | 113.5° | 120.0° |
| C05 | C07 | O09 | 121.2° | 120.0° |
| C07 | C05 | H33 | 106.3° | 109.5° |
| O08 | C07 | O09 | 123.3° | 120.0° |
| C07 | O09 | H1 | 109.5° | 117.0° |
| C04 | N10 | C11 | 123.9° | 120.0° |
| N10 | C04 | H32 | 107.3° | 109.4° |
| C04 | N10 | H37 | 118.1° | 120.0° |
| N10 | C11 | C12 | 114.8° | 120.0° |
| N10 | C11 | O13 | 122.6° | 120.0° |
| C11 | N10 | H37 | 118.0° | 120.0° |
| C12 | C11 | O13 | 122.5° | 120.0° |
| C11 | C12 | C14 | 122.3° | 120.2° |
| C11 | C12 | C18 | 116.9° | 120.1° |
| C12 | C14 | C15 | 118.6° | 119.9° |
| C14 | C12 | C18 | 120.8° | 119.7° |
| C12 | C14 | H38 | 120.7° | 120.1° |
| C14 | C15 | C16 | 118.0° | 120.1° |
| C14 | C15 | CL26 | 119.3° | 119.9° |
| C15 | C14 | H38 | 120.7° | 120.1° |
| C15 | C16 | C17 | 124.5° | 120.3° |
| C16 | C15 | CL26 | 122.6° | 119.9° |
| C15 | C16 | H39 | 117.7° | 119.9° |
| C16 | C17 | C18 | 115.0° | 120.2° |
| C17 | C16 | H39 | 117.7° | 119.9° |
| C16 | C17 | H40 | 122.5° | 120.0° |
| C12 | C18 | C17 | 122.9° | 119.8° |
| C12 | C18 | H41 | 118.6° | 120.1° |
| C18 | C17 | H40 | 122.5° | 119.9° |
| C17 | C18 | H41 | 118.5° | 120.1° |
| C02 | O19 | C20 | 120.7° | 117.0° |
| O19 | C02 | H29 | 108.3° | 109.5° |
| O19 | C20 | C21 | 119.4° | 120.0° |
| O19 | C20 | C25 | 123.2° | 120.0° |
| C20 | C21 | C22 | 121.0° | 119.9° |
| C21 | C20 | C25 | 117.3° | 119.9° |
| C20 | C21 | H42 | 119.5° | 120.1° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C22 | C21 | H42 | 119.5° | 120.0° |
| C21 | C22 | H43 | 120.3° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C23 | C22 | H43 | 120.2° | 120.0° |
| C22 | C23 | H44 | 119.9° | 119.9° |
| C23 | C24 | C25 | 119.5° | 120.1° |
| C24 | C23 | H44 | 119.9° | 120.0° |
| C23 | C24 | H45 | 120.3° | 119.9° |
| C20 | C25 | C24 | 122.3° | 119.9° |
| C20 | C25 | H46 | 118.9° | 120.1° |
| C25 | C24 | H45 | 120.3° | 120.0° |
| C24 | C25 | H46 | 118.9° | 120.0° |
| H27 | C01 | H28 | 109.4° | 109.4° |
| H34 | C06 | H35 | 109.5° | 109.5° |
| H31 | C03 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O19 | 123.6° | 120.0° |
| C01 | C02 | C03 | H29 | 115.5° | 120.0° |
| C01 | C02 | C03 | C04 | 64.9° | 60.0° |
| C02 | C01 | C06 | H27 | 120.1° | 120.0° |
| C02 | C01 | C06 | H28 | 120.1° | 120.0° |
| C02 | C01 | C06 | C05 | 56.6° | 60.0° |
| C01 | C02 | O19 | H29 | 116.7° | 120.0° |
| C01 | C02 | O19 | C20 | 88.8° | 84.6° |
| C02 | C01 | H27 | H28 | 119.7° | 120.0° |
| C02 | C01 | C06 | H34 | 177.2° | 180.0° |
| C02 | C01 | C06 | H35 | 63.9° | 60.0° |
| C01 | C02 | C03 | H31 | 175.9° | 180.0° |
| C01 | C02 | C03 | H30 | 54.3° | 60.0° |
| C02 | C03 | C04 | H31 | 119.2° | 120.0° |
| C02 | C03 | C04 | H30 | 119.2° | 120.1° |
| C02 | C03 | C04 | C05 | 58.4° | 60.0° |
| C03 | C02 | C01 | C06 | 66.2° | 60.0° |
| C02 | C03 | C04 | N10 | 67.3° | 60.0° |
| C03 | C02 | O19 | H29 | 120.2° | 120.0° |
| C03 | C02 | O19 | C20 | 148.1° | 155.4° |
| C03 | C02 | C01 | H27 | 53.9° | 60.0° |
| C03 | C02 | C01 | H28 | 173.7° | 180.0° |
| C02 | C03 | C04 | H32 | 176.1° | 180.0° |
| C02 | C03 | H31 | H30 | 122.3° | 120.1° |
| C03 | C04 | C05 | N10 | 126.4° | 120.0° |
| C03 | C04 | C05 | H32 | 117.7° | 120.0° |
| C03 | C04 | C05 | C06 | 50.1° | 60.0° |
| C03 | C04 | C05 | C07 | 177.6° | 180.0° |
| C03 | C04 | N10 | H32 | 116.2° | 120.0° |
| C03 | C04 | N10 | C11 | 55.0° | 85.0° |
| C04 | C03 | C02 | O19 | 171.5° | 180.0° |
| C04 | C03 | C02 | H29 | 50.6° | 60.0° |
| C03 | C04 | C05 | H33 | 65.2° | 60.0° |
| C04 | C03 | H31 | H30 | 122.4° | 119.9° |
| C03 | C04 | N10 | H37 | 125.0° | 94.9° |
| C04 | C05 | C06 | C01 | 46.8° | 60.0° |
| C04 | C05 | C06 | C07 | 129.3° | 120.0° |
| C04 | C05 | C06 | H33 | 114.8° | 120.0° |
| C04 | C05 | C07 | H33 | 117.1° | 120.0° |
| C04 | C05 | C07 | O08 | 65.3° | 0.0° |
| C04 | C05 | C07 | O09 | 99.2° | 180.0° |
| C05 | C04 | N10 | H32 | 115.3° | 120.0° |
| C05 | C04 | N10 | C11 | 176.5° | 155.0° |
| C04 | C05 | C06 | H34 | 167.3° | 180.0° |
| C04 | C05 | C06 | H35 | 73.8° | 59.9° |
| C05 | C04 | C03 | H31 | 177.5° | 180.0° |
| C05 | C04 | C03 | H30 | 60.8° | 60.1° |
| C05 | C04 | N10 | H37 | 3.5° | 25.1° |
| C01 | C06 | C05 | H34 | 120.6° | 120.0° |
| C01 | C06 | C05 | H35 | 120.6° | 120.0° |
| C01 | C06 | C05 | C07 | 176.1° | 180.0° |
| C06 | C01 | C02 | O19 | 166.4° | 180.0° |
| C06 | C01 | H27 | H28 | 119.7° | 120.0° |
| C06 | C01 | C02 | H29 | 49.1° | 60.0° |
| C01 | C06 | C05 | H33 | 68.0° | 60.0° |
| C01 | C06 | H34 | H35 | 118.2° | 120.0° |
| C06 | C05 | C07 | H33 | 116.2° | 120.0° |
| C06 | C05 | C07 | O08 | 168.0° | 120.0° |
| C06 | C05 | C07 | O09 | 27.5° | 60.0° |
| C06 | C05 | C04 | N10 | 76.3° | 60.0° |
| C05 | C06 | C01 | H27 | 63.5° | 60.0° |
| C05 | C06 | C01 | H28 | 176.8° | 180.0° |
| C06 | C05 | C04 | H32 | 167.8° | 180.0° |
| C05 | C06 | H34 | H35 | 118.2° | 120.1° |
| C05 | C07 | O08 | O09 | 164.1° | 180.0° |
| C07 | C05 | C04 | N10 | 51.2° | 60.0° |
| C07 | C05 | C04 | H32 | 64.6° | 60.0° |
| C07 | C05 | C06 | H34 | 63.3° | 60.0° |
| C07 | C05 | C06 | H35 | 55.5° | 60.1° |
| C05 | C07 | O09 | H1 | 162.9° | 180.0° |
| O08 | C07 | C05 | H33 | 51.8° | 120.0° |
| O08 | C07 | O09 | H1 | 0.0° | 0.0° |
| O09 | C07 | C05 | H33 | 143.7° | 60.0° |
| C04 | N10 | C11 | H37 | 180.0° | 179.9° |
| C04 | N10 | C11 | C12 | 171.3° | 180.0° |
| C04 | N10 | C11 | O13 | 5.6° | 0.0° |
| N10 | C04 | C05 | H33 | 168.4° | 180.0° |
| N10 | C04 | C03 | H31 | 51.9° | 60.0° |
| N10 | C04 | C03 | H30 | 173.6° | 179.9° |
| N10 | C11 | C12 | O13 | 176.9° | 180.0° |
| N10 | C11 | C12 | C14 | 28.6° | 180.0° |
| N10 | C11 | C12 | C18 | 153.0° | 0.5° |
| C11 | N10 | C04 | H32 | 61.2° | 35.0° |
| C11 | C12 | C14 | C18 | 178.3° | 179.5° |
| C11 | C12 | C14 | C15 | 175.3° | 180.0° |
| C11 | C12 | C18 | C17 | 178.4° | 179.7° |
| C11 | C12 | C18 | H41 | 1.6° | 0.2° |
| C12 | C11 | N10 | H37 | 8.8° | 0.0° |
| C11 | C12 | C14 | H38 | 4.8° | 0.1° |
| O13 | C11 | C12 | C14 | 148.2° | 0.0° |
| O13 | C11 | C12 | C18 | 30.1° | 179.5° |
| O13 | C11 | N10 | H37 | 174.4° | 180.0° |
| C12 | C14 | C15 | H38 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 4.9° | 0.5° |
| C14 | C12 | C18 | C17 | 0.0° | 0.2° |
| C12 | C14 | C15 | CL26 | 177.9° | 179.8° |
| C14 | C12 | C18 | H41 | 180.0° | 179.7° |
| C14 | C15 | C16 | CL26 | 177.1° | 179.8° |
| C14 | C15 | C16 | C17 | 4.2° | 0.2° |
| C15 | C14 | C12 | C18 | 3.0° | 0.5° |
| C14 | C15 | C16 | H39 | 175.8° | 179.8° |
| C15 | C16 | C17 | H39 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.2° | 0.0° |
| C15 | C16 | C17 | H40 | 178.8° | 180.0° |
| C16 | C15 | C14 | H38 | 175.1° | 179.4° |
| C16 | C17 | C18 | C12 | 1.0° | 0.0° |
| C16 | C17 | C18 | H40 | 180.0° | 179.9° |
| C17 | C16 | C15 | CL26 | 178.7° | 180.0° |
| C16 | C17 | C18 | H41 | 179.1° | 180.0° |
| C12 | C18 | C17 | H41 | 180.0° | 180.0° |
| C12 | C18 | C17 | H40 | 179.0° | 180.0° |
| C18 | C12 | C14 | H38 | 177.0° | 179.4° |
| C18 | C17 | C16 | H39 | 178.8° | 180.0° |
| C02 | O19 | C20 | C21 | 41.3° | 174.7° |
| C02 | O19 | C20 | C25 | 142.6° | 5.0° |
| O19 | C02 | C01 | H27 | 73.5° | 60.0° |
| O19 | C02 | C01 | H28 | 46.3° | 60.0° |
| O19 | C02 | C03 | H31 | 52.3° | 60.0° |
| O19 | C02 | C03 | H30 | 69.3° | 60.0° |
| O19 | C20 | C21 | C25 | 176.3° | 179.7° |
| O19 | C20 | C21 | C22 | 176.2° | 179.7° |
| O19 | C20 | C25 | C24 | 177.9° | 179.7° |
| C20 | O19 | C02 | H29 | 27.8° | 35.3° |
| O19 | C20 | C21 | H42 | 3.9° | 0.3° |
| O19 | C20 | C25 | H46 | 2.1° | 0.3° |
| C20 | C21 | C22 | H42 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.3° | 0.0° |
| C21 | C20 | C25 | C24 | 1.8° | 0.1° |
| C20 | C21 | C22 | H43 | 178.6° | 180.0° |
| C21 | C20 | C25 | H46 | 178.2° | 180.0° |
| C21 | C22 | C23 | H43 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 4.5° | 0.0° |
| C22 | C21 | C20 | C25 | 0.1° | 0.0° |
| C21 | C22 | C23 | H44 | 175.5° | 179.9° |
| C22 | C23 | C24 | H44 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 6.4° | 0.0° |
| C23 | C22 | C21 | H42 | 178.7° | 180.0° |
| C22 | C23 | C24 | H45 | 173.7° | 180.0° |
| C23 | C24 | C25 | C20 | 5.0° | 0.0° |
| C23 | C24 | C25 | H45 | 180.0° | 180.0° |
| C24 | C23 | C22 | H43 | 175.4° | 180.0° |
| C23 | C24 | C25 | H46 | 175.0° | 180.0° |
| C20 | C25 | C24 | H46 | 180.0° | 179.9° |
| C25 | C20 | C21 | H42 | 179.9° | 180.0° |
| C20 | C25 | C24 | H45 | 175.0° | 179.9° |
| C25 | C24 | C23 | H44 | 173.7° | 179.9° |
| CL26 | C15 | C16 | H39 | 1.3° | 0.0° |
| CL26 | C15 | C14 | H38 | 2.1° | 0.3° |
| H27 | C01 | C02 | H29 | 169.2° | 180.0° |
| H27 | C01 | C06 | H34 | 57.1° | 60.0° |
| H27 | C01 | C06 | H35 | 176.0° | 180.0° |
| H28 | C01 | C02 | H29 | 71.0° | 60.0° |
| H28 | C01 | C06 | H34 | 62.7° | 60.0° |
| H28 | C01 | C06 | H35 | 56.2° | 60.0° |
| H29 | C02 | C03 | H31 | 68.6° | 60.0° |
| H29 | C02 | C03 | H30 | 169.8° | 180.0° |
| H32 | C04 | C05 | H33 | 52.6° | 60.1° |
| H32 | C04 | C03 | H31 | 64.7° | 60.0° |
| H32 | C04 | C03 | H30 | 56.9° | 59.9° |
| H32 | C04 | N10 | H37 | 118.8° | 145.0° |
| H33 | C05 | C06 | H34 | 52.6° | 60.0° |
| H33 | C05 | C06 | H35 | 171.4° | 179.9° |
| H39 | C16 | C17 | H40 | 1.2° | 0.0° |
| H40 | C17 | C18 | H41 | 0.9° | 0.0° |
| H42 | C21 | C22 | H43 | 1.3° | 0.0° |
| H43 | C22 | C23 | H44 | 4.6° | 0.1° |
| H44 | C23 | C24 | H45 | 6.3° | 0.1° |
| H45 | C24 | C25 | H46 | 5.0° | 0.0° |
