VYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | N02 | sing | 1.40Å | 1.35Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | N01 | sing | 1.40Å | 1.41Å | |
| C05 | N01 | sing | 1.47Å | 1.45Å | |
| N01 | C01 | sing | 1.35Å | 1.38Å | |
| C01 | C02 | sing | 1.51Å | 1.47Å | |
| C01 | O01 | doub | 1.21Å | 1.25Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| N02 | H15 | sing | 0.97Å | 1.00Å | |
| N02 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C08 | 121.4° | 120.4° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C12 | C13 | H12 | 119.3° | 119.8° |
| C13 | C12 | H14 | 120.0° | 120.0° |
| C13 | C08 | C07 | 119.0° | 118.9° |
| C13 | C08 | C09 | 119.9° | 119.6° |
| C08 | C13 | H12 | 119.3° | 119.8° |
| C12 | C11 | N02 | 122.0° | 120.1° |
| C12 | C11 | C10 | 118.4° | 119.7° |
| C11 | C12 | H14 | 120.1° | 119.9° |
| C08 | C07 | C06 | 115.8° | 110.5° |
| C07 | C08 | C09 | 121.1° | 121.5° |
| C08 | C07 | H10 | 107.9° | 109.3° |
| C08 | C07 | H11 | 107.9° | 109.3° |
| C07 | C06 | C05 | 112.3° | 108.8° |
| C07 | C06 | H8 | 108.8° | 109.6° |
| C07 | C06 | H9 | 108.8° | 109.7° |
| C06 | C07 | H10 | 107.8° | 109.2° |
| C06 | C07 | H11 | 107.9° | 109.3° |
| C08 | C09 | C10 | 116.6° | 120.1° |
| C08 | C09 | N01 | 117.8° | 120.8° |
| N02 | C11 | C10 | 119.7° | 120.1° |
| C11 | N02 | H15 | 109.5° | 120.0° |
| C11 | N02 | H16 | 109.5° | 120.0° |
| C11 | C10 | C09 | 123.9° | 120.0° |
| C11 | C10 | H13 | 118.1° | 120.0° |
| C06 | C05 | N01 | 107.8° | 107.8° |
| C06 | C05 | H6 | 109.9° | 109.9° |
| C06 | C05 | H7 | 109.9° | 109.9° |
| C05 | C06 | H8 | 108.8° | 109.6° |
| C05 | C06 | H9 | 108.8° | 109.6° |
| C10 | C09 | N01 | 125.6° | 119.1° |
| C09 | C10 | H13 | 118.0° | 120.1° |
| C09 | N01 | C05 | 116.0° | 118.9° |
| C09 | N01 | C01 | 126.4° | 120.5° |
| C05 | N01 | C01 | 117.6° | 120.6° |
| N01 | C05 | H6 | 109.9° | 109.8° |
| N01 | C05 | H7 | 109.9° | 109.8° |
| N01 | C01 | C02 | 122.8° | 120.0° |
| N01 | C01 | O01 | 121.9° | 120.1° |
| C02 | C01 | O01 | 115.2° | 119.9° |
| C01 | C02 | C03 | 119.2° | 117.5° |
| C01 | C02 | C04 | 116.4° | 117.6° |
| C01 | C02 | H1 | 117.1° | 115.6° |
| C03 | C02 | C04 | 59.9° | 60.0° |
| C02 | C03 | C04 | 59.7° | 60.0° |
| C03 | C02 | H1 | 115.8° | 117.4° |
| C02 | C03 | H2 | 120.1° | 117.5° |
| C02 | C03 | H3 | 120.1° | 117.5° |
| C02 | C04 | C03 | 60.5° | 60.0° |
| C04 | C02 | H1 | 116.0° | 117.5° |
| C02 | C04 | H4 | 119.9° | 117.4° |
| C02 | C04 | H5 | 119.9° | 117.5° |
| C04 | C03 | H2 | 120.0° | 117.5° |
| C04 | C03 | H3 | 120.1° | 117.5° |
| C03 | C04 | H4 | 119.9° | 117.5° |
| C03 | C04 | H5 | 119.9° | 117.5° |
| H2 | C03 | H3 | 109.5° | 115.6° |
| H4 | C04 | H5 | 109.5° | 115.6° |
| H6 | C05 | H7 | 109.5° | 109.7° |
| H8 | C06 | H9 | 109.5° | 109.6° |
| H10 | C07 | H11 | 109.5° | 109.2° |
| H15 | N02 | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C08 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | H14 | 180.0° | 179.9° |
| C12 | C13 | C08 | C07 | 179.9° | 179.9° |
| C12 | C13 | C08 | C09 | 0.5° | 0.1° |
| C13 | C12 | C11 | N02 | 179.6° | 179.9° |
| C13 | C12 | C11 | C10 | 0.3° | 0.2° |
| C08 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C08 | C07 | C09 | 179.4° | 180.0° |
| C13 | C08 | C07 | C06 | 172.1° | 159.3° |
| C13 | C08 | C09 | C10 | 1.8° | 0.2° |
| C13 | C08 | C09 | N01 | 179.3° | 179.5° |
| C13 | C08 | C07 | H10 | 51.2° | 39.1° |
| C13 | C08 | C07 | H11 | 67.0° | 80.4° |
| C08 | C13 | C12 | H14 | 179.8° | 180.0° |
| C12 | C11 | N02 | C10 | 179.3° | 180.0° |
| C12 | C11 | C10 | C09 | 1.8° | 0.1° |
| C11 | C12 | C13 | H12 | 179.8° | 180.0° |
| C12 | C11 | C10 | H13 | 178.2° | 180.0° |
| C12 | C11 | N02 | H15 | 180.0° | 180.0° |
| C12 | C11 | N02 | H16 | 60.0° | 0.0° |
| C08 | C07 | C06 | H10 | 120.9° | 120.3° |
| C08 | C07 | C06 | H11 | 120.9° | 120.3° |
| C08 | C07 | C06 | C05 | 18.6° | 51.4° |
| C07 | C08 | C09 | C10 | 178.8° | 179.8° |
| C07 | C08 | C09 | N01 | 1.3° | 0.5° |
| C08 | C07 | C06 | H8 | 139.0° | 68.4° |
| C08 | C07 | C06 | H9 | 101.8° | 171.2° |
| C08 | C07 | H10 | H11 | 117.1° | 119.6° |
| C07 | C08 | C13 | H12 | 0.1° | 0.2° |
| C06 | C07 | C08 | C09 | 8.5° | 20.7° |
| C07 | C06 | C05 | H8 | 120.4° | 119.8° |
| C07 | C06 | C05 | H9 | 120.4° | 119.9° |
| C07 | C06 | C05 | N01 | 51.5° | 63.3° |
| C07 | C06 | C05 | H6 | 68.3° | 56.3° |
| C07 | C06 | C05 | H7 | 171.2° | 177.1° |
| C07 | C06 | H8 | H9 | 118.7° | 120.4° |
| C06 | C07 | H10 | H11 | 117.1° | 119.4° |
| C08 | C09 | C10 | C11 | 2.5° | 0.1° |
| C08 | C09 | C10 | N01 | 177.3° | 179.7° |
| C08 | C09 | N01 | C05 | 36.3° | 13.5° |
| C08 | C09 | N01 | C01 | 141.0° | 166.5° |
| C09 | C08 | C07 | H10 | 129.5° | 140.9° |
| C09 | C08 | C07 | H11 | 112.4° | 99.6° |
| C09 | C08 | C13 | H12 | 179.4° | 179.8° |
| C08 | C09 | C10 | H13 | 177.5° | 179.8° |
| N02 | C11 | C10 | C09 | 178.9° | 179.9° |
| N02 | C11 | C10 | H13 | 1.1° | 0.1° |
| N02 | C11 | C12 | H14 | 0.4° | 0.1° |
| C11 | N02 | H15 | H16 | 120.0° | 180.0° |
| C11 | C10 | C09 | H13 | 180.0° | 179.9° |
| C11 | C10 | C09 | N01 | 179.8° | 179.6° |
| C10 | C11 | C12 | H14 | 179.7° | 179.9° |
| C10 | C11 | N02 | H15 | 0.7° | 0.0° |
| C10 | C11 | N02 | H16 | 120.7° | 180.0° |
| C06 | C05 | N01 | C09 | 62.5° | 44.7° |
| C06 | C05 | N01 | H6 | 119.8° | 119.6° |
| C06 | C05 | N01 | H7 | 119.7° | 119.7° |
| C06 | C05 | N01 | C01 | 115.1° | 135.3° |
| C06 | C05 | H6 | H7 | 120.8° | 120.9° |
| C05 | C06 | H8 | H9 | 118.7° | 120.3° |
| C05 | C06 | C07 | H10 | 102.3° | 171.7° |
| C05 | C06 | C07 | H11 | 139.5° | 68.9° |
| C10 | C09 | N01 | C05 | 140.9° | 166.7° |
| C10 | C09 | N01 | C01 | 41.7° | 13.2° |
| C09 | N01 | C05 | C01 | 177.6° | 179.9° |
| C09 | N01 | C01 | C02 | 0.4° | 176.6° |
| C09 | N01 | C01 | O01 | 179.6° | 3.7° |
| C09 | N01 | C05 | H6 | 57.3° | 74.9° |
| C09 | N01 | C05 | H7 | 177.7° | 164.4° |
| N01 | C09 | C10 | H13 | 0.2° | 0.5° |
| C05 | N01 | C01 | C02 | 177.7° | 3.5° |
| C05 | N01 | C01 | O01 | 3.1° | 176.3° |
| N01 | C05 | H6 | H7 | 120.7° | 120.8° |
| N01 | C05 | C06 | H8 | 171.9° | 56.5° |
| N01 | C05 | C06 | H9 | 69.0° | 176.8° |
| N01 | C01 | C02 | O01 | 179.3° | 179.7° |
| N01 | C01 | C02 | C03 | 105.7° | 175.3° |
| N01 | C01 | C02 | C04 | 174.4° | 116.0° |
| N01 | C01 | C02 | H1 | 42.1° | 29.7° |
| C01 | N01 | C05 | H6 | 125.1° | 105.0° |
| C01 | N01 | C05 | H7 | 4.7° | 15.7° |
| C01 | C02 | C03 | C04 | 105.3° | 107.5° |
| C01 | C02 | C03 | H1 | 148.3° | 145.0° |
| C01 | C02 | C04 | H1 | 143.9° | 145.1° |
| C01 | C02 | C03 | H2 | 145.4° | 145.0° |
| C01 | C02 | C03 | H3 | 4.1° | 0.0° |
| C01 | C02 | C04 | H4 | 0.4° | 0.0° |
| C01 | C02 | C04 | H5 | 140.4° | 145.0° |
| O01 | C01 | C02 | C03 | 73.6° | 5.0° |
| O01 | C01 | C02 | C04 | 4.9° | 63.7° |
| O01 | C01 | C02 | H1 | 138.6° | 150.6° |
| C03 | C02 | C04 | H1 | 106.1° | 107.4° |
| C02 | C03 | C04 | H2 | 109.4° | 107.6° |
| C02 | C03 | C04 | H3 | 109.4° | 107.4° |
| C02 | C03 | H2 | H3 | 145.0° | 145.7° |
| C03 | C02 | C04 | H4 | 109.6° | 107.5° |
| C03 | C02 | C04 | H5 | 109.6° | 107.5° |
| C02 | C04 | H4 | H5 | 144.5° | 145.7° |
| C04 | C03 | H2 | H3 | 144.9° | 145.7° |
| C03 | C04 | H4 | H5 | 144.5° | 145.7° |
| H1 | C02 | C03 | H2 | 2.9° | 0.1° |
| H1 | C02 | C03 | H3 | 144.2° | 145.0° |
| H1 | C02 | C04 | H4 | 144.3° | 145.1° |
| H1 | C02 | C04 | H5 | 3.5° | 0.1° |
| H2 | C03 | C04 | H4 | 141.0° | 145.0° |
| H2 | C03 | C04 | H5 | 0.2° | 0.0° |
| H3 | C03 | C04 | H4 | 0.2° | 0.0° |
| H3 | C03 | C04 | H5 | 141.0° | 145.0° |
| H6 | C05 | C06 | H8 | 52.1° | 176.1° |
| H6 | C05 | C06 | H9 | 171.3° | 63.6° |
| H7 | C05 | C06 | H8 | 68.4° | 63.1° |
| H7 | C05 | C06 | H9 | 50.8° | 57.2° |
| H8 | C06 | C07 | H10 | 18.1° | 51.9° |
| H8 | C06 | C07 | H11 | 100.1° | 171.3° |
| H9 | C06 | C07 | H10 | 137.2° | 68.5° |
| H9 | C06 | C07 | H11 | 19.1° | 50.9° |
| H12 | C13 | C12 | H14 | 0.2° | 0.1° |
