VY9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C06 | N05 | sing | 1.47Å | 1.46Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| O08 | C07 | doub | 1.21Å | 1.26Å | |
| O09 | C07 | sing | 1.34Å | 1.27Å | |
| N05 | C04 | sing | 1.47Å | 1.47Å | |
| C10 | C04 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| O17 | C02 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| N05 | H21 | sing | 1.01Å | 1.00Å | |
| O09 | H23 | sing | 0.97Å | 0.95Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 119.8° | 120.0° |
| O01 | C02 | O17 | 121.7° | 120.0° |
| C03 | C04 | N05 | 109.3° | 109.5° |
| C03 | C04 | C10 | 109.8° | 109.5° |
| C04 | C03 | C02 | 110.8° | 109.5° |
| C04 | C03 | H16 | 109.1° | 109.5° |
| C04 | C03 | H17 | 109.1° | 109.4° |
| C03 | C04 | H18 | 109.3° | 109.5° |
| N05 | C06 | C07 | 106.7° | 109.5° |
| C06 | N05 | C04 | 110.4° | 111.0° |
| N05 | C06 | H19 | 110.2° | 109.5° |
| N05 | C06 | H20 | 110.2° | 109.4° |
| C06 | N05 | H21 | 109.2° | 111.0° |
| C06 | C07 | O08 | 118.4° | 120.0° |
| C06 | C07 | O09 | 120.1° | 120.1° |
| C07 | C06 | H19 | 110.2° | 109.5° |
| C07 | C06 | H20 | 110.2° | 109.4° |
| O08 | C07 | O09 | 121.5° | 120.0° |
| C07 | O09 | H23 | 109.5° | 117.1° |
| N05 | C04 | C10 | 109.1° | 109.5° |
| N05 | C04 | H18 | 110.1° | 109.5° |
| C04 | N05 | H21 | 109.2° | 111.0° |
| C04 | C10 | C11 | 108.0° | 109.5° |
| C04 | C10 | H1 | 109.8° | 109.5° |
| C04 | C10 | H2 | 109.8° | 109.5° |
| C10 | C04 | H18 | 109.2° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.5° |
| C11 | C10 | H1 | 109.8° | 109.4° |
| C11 | C10 | H2 | 109.8° | 109.5° |
| C10 | C11 | H7 | 108.7° | 109.5° |
| C10 | C11 | H8 | 108.7° | 109.5° |
| C11 | C12 | C13 | 108.1° | 109.5° |
| C12 | C11 | H7 | 108.7° | 109.5° |
| C12 | C11 | H8 | 108.7° | 109.4° |
| C11 | C12 | H9 | 109.8° | 109.4° |
| C11 | C12 | H10 | 109.8° | 109.5° |
| C12 | C13 | C14 | 111.7° | 109.5° |
| C12 | C13 | H3 | 108.9° | 109.5° |
| C12 | C13 | H4 | 108.9° | 109.4° |
| C13 | C12 | H9 | 109.8° | 109.5° |
| C13 | C12 | H10 | 109.8° | 109.5° |
| C13 | C14 | C15 | 109.9° | 109.5° |
| C14 | C13 | H3 | 108.9° | 109.5° |
| C14 | C13 | H4 | 108.9° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | H5 | 109.3° | 109.5° |
| C14 | C15 | H6 | 109.3° | 109.4° |
| C15 | C14 | H11 | 109.4° | 109.5° |
| C15 | C14 | H12 | 109.4° | 109.4° |
| C16 | C15 | H5 | 109.3° | 109.5° |
| C16 | C15 | H6 | 109.3° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C03 | C02 | O17 | 118.5° | 120.0° |
| C02 | C03 | H16 | 109.1° | 109.5° |
| C02 | C03 | H17 | 109.1° | 109.5° |
| C02 | O17 | H24 | 109.5° | 117.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H19 | C06 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 138.7° | 6.3° |
| O01 | C02 | C03 | O17 | 179.8° | 179.9° |
| O01 | C02 | C03 | H16 | 101.1° | 126.4° |
| O01 | C02 | C03 | H17 | 18.4° | 113.6° |
| O01 | C02 | O17 | H24 | 0.0° | 0.1° |
| C03 | C04 | N05 | C06 | 82.7° | 82.5° |
| C03 | C04 | N05 | C10 | 120.1° | 120.0° |
| C03 | C04 | N05 | H18 | 120.1° | 120.0° |
| C03 | C04 | C10 | H18 | 119.9° | 120.0° |
| C03 | C04 | C10 | C11 | 167.0° | 175.0° |
| C04 | C03 | C02 | H16 | 120.2° | 120.1° |
| C04 | C03 | C02 | H17 | 120.2° | 119.9° |
| C04 | C03 | C02 | O17 | 41.1° | 173.7° |
| C03 | C04 | C10 | H1 | 73.2° | 65.0° |
| C03 | C04 | C10 | H2 | 47.3° | 55.0° |
| C04 | C03 | H16 | H17 | 119.4° | 120.0° |
| C03 | C04 | N05 | H21 | 37.5° | 41.5° |
| N05 | C06 | C07 | H19 | 119.6° | 120.0° |
| N05 | C06 | C07 | H20 | 119.6° | 119.9° |
| N05 | C06 | C07 | O08 | 45.3° | 0.1° |
| N05 | C06 | C07 | O09 | 133.7° | 180.0° |
| C06 | N05 | C04 | H21 | 120.1° | 124.0° |
| C06 | N05 | C04 | C10 | 157.3° | 157.5° |
| C06 | N05 | C04 | H18 | 37.4° | 37.5° |
| N05 | C06 | H19 | H20 | 121.3° | 120.0° |
| C06 | C07 | O08 | O09 | 179.0° | 180.0° |
| C07 | C06 | N05 | C04 | 159.5° | 174.5° |
| C07 | C06 | H19 | H20 | 121.3° | 120.0° |
| C07 | C06 | N05 | H21 | 80.4° | 61.5° |
| C06 | C07 | O09 | H23 | 179.0° | 179.9° |
| O08 | C07 | C06 | H19 | 164.9° | 120.0° |
| O08 | C07 | C06 | H20 | 74.3° | 120.0° |
| O08 | C07 | O09 | H23 | 0.0° | 0.0° |
| O09 | C07 | C06 | H19 | 14.2° | 60.0° |
| O09 | C07 | C06 | H20 | 106.7° | 60.0° |
| N05 | C04 | C10 | H18 | 120.3° | 120.0° |
| N05 | C04 | C10 | C11 | 47.2° | 65.0° |
| N05 | C04 | C03 | C02 | 170.0° | 173.7° |
| N05 | C04 | C10 | H1 | 167.0° | 55.0° |
| N05 | C04 | C10 | H2 | 72.5° | 175.0° |
| N05 | C04 | C03 | H16 | 49.8° | 66.2° |
| N05 | C04 | C03 | H17 | 69.8° | 53.8° |
| C04 | N05 | C06 | H19 | 81.0° | 54.4° |
| C04 | N05 | C06 | H20 | 39.9° | 65.6° |
| C04 | C10 | C11 | H1 | 119.8° | 120.0° |
| C04 | C10 | C11 | H2 | 119.8° | 120.1° |
| C04 | C10 | C11 | C12 | 164.2° | 180.0° |
| C10 | C04 | C03 | C02 | 70.4° | 66.3° |
| C04 | C10 | H1 | H2 | 120.7° | 120.1° |
| C04 | C10 | C11 | H7 | 75.4° | 60.0° |
| C04 | C10 | C11 | H8 | 43.7° | 60.0° |
| C10 | C04 | C03 | H16 | 169.4° | 53.8° |
| C10 | C04 | C03 | H17 | 49.8° | 173.8° |
| C10 | C04 | N05 | H21 | 82.6° | 78.5° |
| C10 | C11 | C12 | H7 | 120.5° | 120.0° |
| C10 | C11 | C12 | H8 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 122.7° | 180.0° |
| C11 | C10 | H1 | H2 | 120.7° | 119.9° |
| C10 | C11 | H7 | H8 | 118.6° | 120.0° |
| C10 | C11 | C12 | H9 | 2.9° | 60.0° |
| C10 | C11 | C12 | H10 | 117.5° | 59.9° |
| C11 | C10 | C04 | H18 | 73.1° | 55.0° |
| C11 | C12 | C13 | H9 | 119.8° | 120.0° |
| C11 | C12 | C13 | H10 | 119.8° | 120.1° |
| C11 | C12 | C13 | C14 | 109.3° | 180.0° |
| C12 | C11 | C10 | H1 | 44.4° | 60.0° |
| C12 | C11 | C10 | H2 | 76.1° | 59.9° |
| C11 | C12 | C13 | H3 | 11.1° | 60.0° |
| C11 | C12 | C13 | H4 | 130.4° | 60.0° |
| C12 | C11 | H7 | H8 | 118.6° | 119.9° |
| C11 | C12 | H9 | H10 | 120.6° | 119.9° |
| C12 | C13 | C14 | H3 | 120.3° | 120.1° |
| C12 | C13 | C14 | H4 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 167.2° | 180.0° |
| C12 | C13 | H3 | H4 | 119.0° | 120.0° |
| C13 | C12 | C11 | H7 | 116.8° | 60.0° |
| C13 | C12 | C11 | H8 | 2.2° | 60.0° |
| C13 | C12 | H9 | H10 | 120.6° | 120.0° |
| C12 | C13 | C14 | H11 | 47.1° | 59.9° |
| C12 | C13 | C14 | H12 | 72.8° | 60.0° |
| C13 | C14 | C15 | H11 | 120.0° | 120.1° |
| C13 | C14 | C15 | H12 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 73.9° | 180.0° |
| C14 | C13 | H3 | H4 | 119.0° | 120.0° |
| C13 | C14 | C15 | H5 | 46.2° | 59.9° |
| C13 | C14 | C15 | H6 | 166.0° | 60.0° |
| C14 | C13 | C12 | H9 | 131.0° | 60.0° |
| C14 | C13 | C12 | H10 | 10.5° | 59.9° |
| C13 | C14 | H11 | H12 | 119.8° | 120.0° |
| C14 | C15 | C16 | H5 | 120.1° | 120.1° |
| C14 | C15 | C16 | H6 | 120.1° | 120.0° |
| C15 | C14 | C13 | H3 | 72.5° | 59.9° |
| C15 | C14 | C13 | H4 | 46.8° | 60.0° |
| C14 | C15 | H5 | H6 | 119.7° | 120.0° |
| C15 | C14 | H11 | H12 | 119.8° | 120.0° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | H14 | 60.0° | 60.0° |
| C14 | C15 | C16 | H15 | 60.0° | 60.0° |
| C16 | C15 | H5 | H6 | 119.7° | 120.0° |
| C16 | C15 | C14 | H11 | 166.1° | 60.0° |
| C16 | C15 | C14 | H12 | 46.2° | 60.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H16 | H17 | 119.4° | 120.0° |
| C02 | C03 | C04 | H18 | 49.4° | 53.7° |
| C03 | C02 | O17 | H24 | 179.7° | 180.0° |
| O17 | C02 | C03 | H16 | 79.1° | 53.6° |
| O17 | C02 | C03 | H17 | 161.3° | 66.4° |
| H1 | C10 | C11 | H7 | 164.9° | 60.0° |
| H1 | C10 | C11 | H8 | 76.1° | 180.0° |
| H1 | C10 | C04 | H18 | 46.6° | 175.0° |
| H2 | C10 | C11 | H7 | 44.4° | 179.9° |
| H2 | C10 | C11 | H8 | 163.4° | 60.0° |
| H2 | C10 | C04 | H18 | 167.1° | 65.0° |
| H3 | C13 | C12 | H9 | 108.7° | 60.0° |
| H3 | C13 | C12 | H10 | 130.8° | 180.0° |
| H3 | C13 | C14 | H11 | 167.4° | 180.0° |
| H3 | C13 | C14 | H12 | 47.5° | 60.0° |
| H4 | C13 | C12 | H9 | 10.6° | 180.0° |
| H4 | C13 | C12 | H10 | 109.8° | 60.0° |
| H4 | C13 | C14 | H11 | 73.2° | 60.0° |
| H4 | C13 | C14 | H12 | 166.9° | NaN° |
| H5 | C15 | C14 | H11 | 73.8° | 180.0° |
| H5 | C15 | C14 | H12 | 166.3° | 60.0° |
| H5 | C15 | C16 | H13 | 59.9° | 60.0° |
| H5 | C15 | C16 | H14 | 179.9° | 179.9° |
| H5 | C15 | C16 | H15 | 60.1° | 60.0° |
| H6 | C15 | C14 | H11 | 46.0° | 60.0° |
| H6 | C15 | C14 | H12 | 73.9° | 180.0° |
| H6 | C15 | C16 | H13 | 59.9° | 60.0° |
| H6 | C15 | C16 | H14 | 60.1° | 60.0° |
| H6 | C15 | C16 | H15 | 179.9° | 180.0° |
| H7 | C11 | C12 | H9 | 123.4° | 60.1° |
| H7 | C11 | C12 | H10 | 3.0° | 179.9° |
| H8 | C11 | C12 | H9 | 117.6° | 179.9° |
| H8 | C11 | C12 | H10 | 122.0° | 60.1° |
| H13 | C16 | H14 | H15 | 119.9° | 119.9° |
| H16 | C03 | C04 | H18 | 70.8° | 173.7° |
| H17 | C03 | C04 | H18 | 169.6° | 66.2° |
| H18 | C04 | N05 | H21 | 157.6° | 161.5° |
| H19 | C06 | N05 | H21 | 39.2° | 178.4° |
| H20 | C06 | N05 | H21 | 160.0° | 58.4° |
