ZVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | N02 | sing | 1.40Å | 1.44Å | |
| C06 | C05 | sing | 1.54Å | 1.53Å | |
| C06 | C07 | sing | 1.54Å | 1.52Å | |
| C05 | C08 | sing | 1.54Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.54Å | 1.52Å | |
| N02 | C04 | sing | 1.45Å | 1.37Å | |
| N02 | C15 | sing | 1.34Å | 1.37Å | |
| C04 | N01 | sing | 1.45Å | 1.36Å | |
| O02 | C15 | doub | 1.21Å | 1.26Å | |
| C15 | C02 | sing | 1.50Å | 1.42Å | |
| N01 | C03 | doub | 1.27Å | 1.36Å | |
| C02 | C03 | sing | 1.51Å | 1.41Å | |
| C02 | C01 | sing | 1.52Å | 1.41Å | |
| C03 | N03 | sing | 1.38Å | 1.38Å | |
| O01 | C01 | doub | 1.21Å | 1.26Å | |
| C01 | C22 | sing | 1.47Å | 1.40Å | |
| N03 | C16 | sing | 1.47Å | 1.48Å | |
| N03 | C17 | sing | 1.39Å | 1.38Å | |
| C22 | C17 | doub | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | 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 | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.1° |
| C12 | C11 | H14 | 120.0° | 119.9° |
| C11 | C12 | H15 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.1° | 120.1° |
| C12 | C13 | H2 | 119.9° | 120.0° |
| C13 | C12 | H15 | 120.0° | 119.9° |
| C11 | C10 | C09 | 120.1° | 120.0° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H14 | 120.0° | 120.0° |
| C13 | C14 | C09 | 120.1° | 119.9° |
| C14 | C13 | H2 | 120.0° | 119.9° |
| C13 | C14 | H16 | 120.0° | 120.1° |
| C10 | C09 | C14 | 119.6° | 119.8° |
| C10 | C09 | N02 | 120.1° | 120.1° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| C14 | C09 | N02 | 120.2° | 120.0° |
| C09 | C14 | H16 | 119.9° | 120.0° |
| C09 | N02 | C04 | 120.6° | 118.2° |
| C09 | N02 | C15 | 119.1° | 118.2° |
| C05 | C06 | C07 | 90.1° | 87.1° |
| C06 | C05 | C08 | 89.8° | 87.1° |
| C06 | C05 | C04 | 112.6° | 113.6° |
| C06 | C05 | H7 | 112.4° | 113.7° |
| C05 | C06 | H8 | 114.1° | 113.6° |
| C05 | C06 | H9 | 114.1° | 113.6° |
| C06 | C07 | C08 | 90.2° | 87.1° |
| C07 | C06 | H8 | 114.0° | 113.6° |
| C07 | C06 | H9 | 114.1° | 113.6° |
| C06 | C07 | H10 | 114.0° | 113.6° |
| C06 | C07 | H11 | 114.1° | 113.6° |
| C08 | C05 | C04 | 115.5° | 113.6° |
| C05 | C08 | C07 | 89.9° | 87.1° |
| C08 | C05 | H7 | 112.3° | 113.6° |
| C05 | C08 | H12 | 114.1° | 113.6° |
| C05 | C08 | H13 | 114.1° | 113.6° |
| C05 | C04 | N02 | 121.8° | 108.7° |
| C05 | C04 | N01 | 118.8° | 108.8° |
| C05 | C04 | H6 | 90.9° | 108.8° |
| C04 | C05 | H7 | 112.5° | 112.9° |
| C08 | C07 | H10 | 114.1° | 113.6° |
| C08 | C07 | H11 | 114.0° | 113.6° |
| C07 | C08 | H12 | 114.1° | 113.6° |
| C07 | C08 | H13 | 114.1° | 113.6° |
| C04 | N02 | C15 | 120.2° | 123.6° |
| N02 | C04 | N01 | 119.3° | 112.9° |
| N02 | C04 | H6 | 91.0° | 108.8° |
| N02 | C15 | O02 | 119.5° | 118.6° |
| N02 | C15 | C02 | 120.5° | 122.8° |
| C04 | N01 | C03 | 123.3° | 125.9° |
| N01 | C04 | H6 | 90.9° | 108.8° |
| O02 | C15 | C02 | 120.1° | 118.6° |
| C15 | C02 | C03 | 118.1° | 111.1° |
| C15 | C02 | C01 | 123.0° | 110.0° |
| C15 | C02 | H5 | 90.1° | 109.5° |
| N01 | C03 | C02 | 118.6° | 123.2° |
| N01 | C03 | N03 | 120.3° | 120.0° |
| C03 | C02 | C01 | 118.9° | 107.0° |
| C02 | C03 | N03 | 121.1° | 116.9° |
| C03 | C02 | H5 | 90.1° | 109.6° |
| C02 | C01 | O01 | 120.4° | 121.5° |
| C02 | C01 | C22 | 119.9° | 117.0° |
| C01 | C02 | H5 | 90.1° | 109.7° |
| C03 | N03 | C16 | 119.7° | 120.8° |
| C03 | N03 | C17 | 120.4° | 118.4° |
| O01 | C01 | C22 | 119.7° | 121.5° |
| C01 | C22 | C17 | 119.6° | 119.8° |
| C01 | C22 | C21 | 120.5° | 120.4° |
| C16 | N03 | C17 | 119.9° | 120.8° |
| N03 | C16 | H17 | 109.5° | 109.4° |
| N03 | C16 | H18 | 109.5° | 109.5° |
| N03 | C16 | H19 | 109.5° | 109.5° |
| N03 | C17 | C22 | 120.0° | 120.4° |
| N03 | C17 | C18 | 121.8° | 120.1° |
| C17 | C22 | C21 | 119.9° | 119.9° |
| C22 | C17 | C18 | 118.1° | 119.5° |
| C22 | C21 | C20 | 120.6° | 119.7° |
| C22 | C21 | H4 | 119.7° | 120.2° |
| C17 | C18 | C19 | 121.1° | 120.0° |
| C17 | C18 | H20 | 119.5° | 120.0° |
| C21 | C20 | C19 | 120.1° | 120.3° |
| C21 | C20 | H3 | 119.9° | 119.8° |
| C20 | C21 | H4 | 119.7° | 120.1° |
| C18 | C19 | C20 | 120.3° | 120.6° |
| C19 | C18 | H20 | 119.5° | 120.0° |
| C18 | C19 | H21 | 119.9° | 119.6° |
| C19 | C20 | H3 | 120.0° | 119.8° |
| C20 | C19 | H21 | 119.9° | 119.7° |
| H8 | C06 | H9 | 109.5° | 113.0° |
| H10 | C07 | H11 | 109.5° | 112.9° |
| H12 | C08 | H13 | 109.5° | 112.9° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H19 | 109.4° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | C09 | 0.2° | 0.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.8° |
| C11 | C12 | C13 | H2 | 179.8° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 179.5° |
| C12 | C13 | C14 | C09 | 0.0° | 0.5° |
| C13 | C12 | C11 | H14 | 179.9° | 180.0° |
| C12 | C13 | C14 | H16 | 179.9° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 0.3° | 0.2° |
| C11 | C10 | C09 | N02 | 179.7° | 179.7° |
| C10 | C11 | C12 | H15 | 179.9° | 180.0° |
| C13 | C14 | C09 | C10 | 0.2° | 0.5° |
| C13 | C14 | C09 | H16 | 180.0° | 179.5° |
| C13 | C14 | C09 | N02 | 179.8° | 179.5° |
| C14 | C13 | C12 | H15 | 179.8° | 179.7° |
| C10 | C09 | C14 | N02 | 180.0° | 180.0° |
| C10 | C09 | N02 | C04 | 74.6° | 112.1° |
| C10 | C09 | N02 | C15 | 104.7° | 67.8° |
| C09 | C10 | C11 | H14 | 179.8° | 180.0° |
| C10 | C09 | C14 | H16 | 179.8° | 179.9° |
| C14 | C09 | N02 | C04 | 105.5° | 67.9° |
| C14 | C09 | N02 | C15 | 75.3° | 112.1° |
| C14 | C09 | C10 | H1 | 179.7° | 180.0° |
| C09 | C14 | C13 | H2 | 180.0° | 180.0° |
| C09 | N02 | C04 | C05 | 0.0° | 54.3° |
| C09 | N02 | C04 | C15 | 179.3° | 179.9° |
| C09 | N02 | C04 | N01 | 176.7° | 175.2° |
| C09 | N02 | C15 | O02 | 1.3° | 0.4° |
| C09 | N02 | C15 | C02 | 178.0° | 179.2° |
| N02 | C09 | C10 | H1 | 0.3° | 0.0° |
| C09 | N02 | C04 | H6 | 91.7° | 64.0° |
| N02 | C09 | C14 | H16 | 0.2° | 0.0° |
| C05 | C06 | C07 | H8 | 116.6° | 114.6° |
| C05 | C06 | C07 | H9 | 116.6° | 114.5° |
| C06 | C05 | C08 | C04 | 115.1° | 114.6° |
| C06 | C05 | C08 | H7 | 114.2° | 114.6° |
| C06 | C05 | C04 | H7 | 128.1° | 131.3° |
| C05 | C06 | C07 | C08 | 0.3° | 25.4° |
| C06 | C05 | C04 | N02 | 102.2° | 161.1° |
| C06 | C05 | C04 | N01 | 74.5° | 75.6° |
| C06 | C05 | C04 | H6 | 166.1° | 42.8° |
| C05 | C06 | H8 | H9 | 129.2° | 131.3° |
| C05 | C06 | C07 | H10 | 116.9° | 89.1° |
| C05 | C06 | C07 | H11 | 116.3° | 139.9° |
| C06 | C05 | C08 | H12 | 116.9° | 89.1° |
| C06 | C05 | C08 | H13 | 116.2° | 140.0° |
| C07 | C06 | C05 | C04 | 117.4° | 140.0° |
| C06 | C07 | C08 | H10 | 116.6° | 114.6° |
| C06 | C07 | C08 | H11 | 116.6° | 114.5° |
| C07 | C06 | C05 | H7 | 114.5° | 89.1° |
| C07 | C06 | H8 | H9 | 129.2° | 131.2° |
| C06 | C07 | H10 | H11 | 129.1° | 131.3° |
| C06 | C07 | C08 | H12 | 116.9° | 89.1° |
| C06 | C07 | C08 | H13 | 116.2° | 140.0° |
| C08 | C05 | C04 | H7 | 130.7° | 131.2° |
| C05 | C08 | C07 | H12 | 116.6° | 114.6° |
| C05 | C08 | C07 | H13 | 116.5° | 114.5° |
| C08 | C05 | C04 | N02 | 156.6° | 63.6° |
| C08 | C05 | C04 | N01 | 26.7° | 173.1° |
| C08 | C05 | C04 | H6 | 64.9° | 54.7° |
| C08 | C05 | C06 | H8 | 116.2° | 139.9° |
| C08 | C05 | C06 | H9 | 116.9° | 89.1° |
| C05 | C08 | C07 | H10 | 116.9° | 89.1° |
| C05 | C08 | C07 | H11 | 116.3° | 140.0° |
| C05 | C08 | H12 | H13 | 129.3° | 131.3° |
| C04 | C05 | C08 | C07 | 114.7° | 140.0° |
| C05 | C04 | N02 | N01 | 176.7° | 120.8° |
| C05 | C04 | N02 | H6 | 91.6° | 118.3° |
| C05 | C04 | N02 | C15 | 179.3° | 125.6° |
| C05 | C04 | N01 | H6 | 91.5° | 118.4° |
| C05 | C04 | N01 | C03 | 178.9° | 125.5° |
| C04 | C05 | C06 | H8 | 126.1° | 105.5° |
| C04 | C05 | C06 | H9 | 0.8° | 25.5° |
| C04 | C05 | C08 | H12 | 1.8° | 25.4° |
| C04 | C05 | C08 | H13 | 128.7° | 105.5° |
| C07 | C08 | C05 | H7 | 114.5° | 89.2° |
| C08 | C07 | C06 | H8 | 116.3° | 140.0° |
| C08 | C07 | C06 | H9 | 116.9° | 89.1° |
| C08 | C07 | H10 | H11 | 129.1° | 131.2° |
| C07 | C08 | H12 | H13 | 129.3° | 131.2° |
| N02 | C04 | N01 | H6 | 91.6° | 120.8° |
| C04 | N02 | C15 | O02 | 179.5° | 179.5° |
| C04 | N02 | C15 | C02 | 1.3° | 0.9° |
| N02 | C04 | N01 | C03 | 2.1° | 4.7° |
| N02 | C04 | C05 | H7 | 25.9° | 67.6° |
| C15 | N02 | C04 | N01 | 2.6° | 4.8° |
| N02 | C15 | O02 | C02 | 179.2° | 179.7° |
| N02 | C15 | C02 | C03 | 0.5° | 6.3° |
| N02 | C15 | C02 | C01 | 179.9° | 124.6° |
| N02 | C15 | C02 | H5 | 89.7° | 114.8° |
| C15 | N02 | C04 | H6 | 89.1° | 116.1° |
| C04 | N01 | C03 | C02 | 0.3° | 1.2° |
| C04 | N01 | C03 | N03 | 179.5° | 177.8° |
| N01 | C04 | C05 | H7 | 157.4° | 55.7° |
| O02 | C15 | C02 | C03 | 178.7° | 174.0° |
| O02 | C15 | C02 | C01 | 0.9° | 55.8° |
| O02 | C15 | C02 | H5 | 91.1° | 64.8° |
| C15 | C02 | C03 | N01 | 1.0° | 6.6° |
| C15 | C02 | C03 | C01 | 179.7° | 120.0° |
| C15 | C02 | C03 | H5 | 90.1° | 121.1° |
| C15 | C02 | C01 | H5 | 90.1° | 120.5° |
| C15 | C02 | C03 | N03 | 179.2° | 172.4° |
| C15 | C02 | C01 | O01 | 0.3° | 21.3° |
| C15 | C02 | C01 | C22 | 179.6° | 158.8° |
| N01 | C03 | C02 | N03 | 179.8° | 179.0° |
| N01 | C03 | C02 | C01 | 179.3° | 126.6° |
| N01 | C03 | N03 | C16 | 0.7° | 43.3° |
| N01 | C03 | N03 | C17 | 179.2° | 136.7° |
| N01 | C03 | C02 | H5 | 89.2° | 114.5° |
| C03 | N01 | C04 | H6 | 89.6° | 116.2° |
| C03 | C02 | C01 | H5 | 90.2° | 118.8° |
| C03 | C02 | C01 | O01 | 180.0° | 142.0° |
| C03 | C02 | C01 | C22 | 0.1° | 38.0° |
| C02 | C03 | N03 | C16 | 179.5° | 137.6° |
| C02 | C03 | N03 | C17 | 0.6° | 42.4° |
| C01 | C02 | C03 | N03 | 0.5° | 52.4° |
| C02 | C01 | O01 | C22 | 179.9° | 180.0° |
| C02 | C01 | C22 | C17 | 0.1° | 15.4° |
| C02 | C01 | C22 | C21 | 179.9° | 164.9° |
| C03 | N03 | C16 | C17 | 179.9° | 180.0° |
| C03 | N03 | C17 | C22 | 0.4° | 14.3° |
| C03 | N03 | C17 | C18 | 179.5° | 165.9° |
| N03 | C03 | C02 | H5 | 90.6° | 66.5° |
| C03 | N03 | C16 | H17 | 180.0° | 90.0° |
| C03 | N03 | C16 | H18 | 60.0° | 150.0° |
| C03 | N03 | C16 | H19 | 60.0° | 30.0° |
| O01 | C01 | C22 | C17 | 179.8° | 164.6° |
| O01 | C01 | C22 | C21 | 0.1° | 15.1° |
| O01 | C01 | C02 | H5 | 89.8° | 99.2° |
| C01 | C22 | C17 | N03 | 0.0° | 1.1° |
| C01 | C22 | C17 | C21 | 179.9° | 179.7° |
| C01 | C22 | C17 | C18 | 179.8° | 179.2° |
| C01 | C22 | C21 | C20 | 179.9° | 179.4° |
| C01 | C22 | C21 | H4 | 0.1° | 0.6° |
| C22 | C01 | C02 | H5 | 90.3° | 80.7° |
| C16 | N03 | C17 | C22 | 179.7° | 165.7° |
| C16 | N03 | C17 | C18 | 0.4° | 14.0° |
| N03 | C16 | H17 | H18 | 120.0° | 120.0° |
| N03 | C16 | H17 | H19 | 120.0° | 120.0° |
| N03 | C16 | H18 | H19 | 120.0° | 120.0° |
| N03 | C17 | C22 | C18 | 179.8° | 179.7° |
| N03 | C17 | C22 | C21 | 179.9° | 179.2° |
| N03 | C17 | C18 | C19 | 180.0° | 179.4° |
| C17 | N03 | C16 | H17 | 0.1° | 90.0° |
| C17 | N03 | C16 | H18 | 119.9° | 30.0° |
| C17 | N03 | C16 | H19 | 120.1° | 150.0° |
| N03 | C17 | C18 | H20 | 0.1° | 0.5° |
| C17 | C22 | C21 | C20 | 0.1° | 0.3° |
| C22 | C17 | C18 | C19 | 0.2° | 0.4° |
| C17 | C22 | C21 | H4 | 179.8° | 179.7° |
| C22 | C17 | C18 | H20 | 179.8° | 179.7° |
| C21 | C22 | C17 | C18 | 0.2° | 0.5° |
| C22 | C21 | C20 | H4 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H21 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.2° |
| C21 | C20 | C19 | H3 | 180.0° | 179.9° |
| C21 | C20 | C19 | H21 | 180.0° | 179.8° |
| C18 | C19 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | H3 | 180.0° | 179.9° |
| C19 | C20 | C21 | H4 | 180.0° | 180.0° |
| C20 | C19 | C18 | H20 | 179.9° | 179.9° |
| H1 | C10 | C11 | H14 | 0.2° | 0.3° |
| H2 | C13 | C12 | H15 | 0.2° | 0.2° |
| H2 | C13 | C14 | H16 | 0.0° | 0.5° |
| H3 | C20 | C21 | H4 | 0.0° | 0.1° |
| H3 | C20 | C19 | H21 | 0.0° | 0.1° |
| H6 | C04 | C05 | H7 | 65.8° | 174.0° |
| H7 | C05 | C06 | H8 | 2.1° | 25.4° |
| H7 | C05 | C06 | H9 | 129.0° | 156.4° |
| H7 | C05 | C08 | H12 | 129.0° | 156.3° |
| H7 | C05 | C08 | H13 | 2.0° | 25.3° |
| H8 | C06 | C07 | H10 | 0.3° | 25.4° |
| H8 | C06 | C07 | H11 | 127.1° | 105.5° |
| H9 | C06 | C07 | H10 | 126.5° | 156.3° |
| H9 | C06 | C07 | H11 | 0.3° | 25.4° |
| H10 | C07 | C08 | H12 | 126.5° | 156.3° |
| H10 | C07 | C08 | H13 | 0.4° | 25.4° |
| H11 | C07 | C08 | H12 | 0.3° | 25.4° |
| H11 | C07 | C08 | H13 | 127.2° | 105.5° |
| H14 | C11 | C12 | H15 | 0.1° | 0.0° |
| H17 | C16 | H18 | H19 | 120.0° | 120.1° |
| H20 | C18 | C19 | H21 | 0.1° | 0.1° |
