ZMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C03 | sing | 1.41Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.41Å | |
| C03 | C02 | sing | 1.47Å | 1.42Å | |
| C02 | O01 | doub | 1.22Å | 1.26Å | |
| C02 | N01 | sing | 1.35Å | 1.36Å | |
| C09 | C11 | sing | 1.48Å | 1.43Å | |
| C09 | C01 | doub | 1.36Å | 1.40Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C01 | N01 | sing | 1.36Å | 1.36Å | |
| N01 | C10 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N02 | sing | 1.40Å | 1.39Å | |
| N02 | C17 | sing | 1.47Å | 1.45Å | |
| N02 | C20 | sing | 1.34Å | 1.35Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C20 | O02 | doub | 1.21Å | 1.28Å | |
| C20 | C19 | sing | 1.51Å | 1.46Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 120.1° | 120.8° |
| C05 | C06 | C07 | 119.4° | 120.7° |
| C06 | C05 | H12 | 120.0° | 119.6° |
| C05 | C06 | H13 | 120.3° | 119.7° |
| C05 | C04 | C03 | 121.0° | 119.5° |
| C05 | C04 | H11 | 119.5° | 120.2° |
| C04 | C05 | H12 | 119.9° | 119.7° |
| C06 | C07 | C08 | 121.2° | 119.6° |
| C07 | C06 | H13 | 120.3° | 119.6° |
| C06 | C07 | H14 | 119.4° | 120.2° |
| C07 | C08 | C03 | 119.0° | 119.7° |
| C07 | C08 | C09 | 121.8° | 121.9° |
| C08 | C07 | H14 | 119.4° | 120.2° |
| C04 | C03 | C08 | 119.2° | 119.8° |
| C04 | C03 | C02 | 120.5° | 121.9° |
| C03 | C04 | H11 | 119.5° | 120.2° |
| C13 | C12 | C11 | 120.9° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.2° |
| C12 | C13 | H1 | 120.3° | 119.9° |
| C13 | C12 | H18 | 119.5° | 120.0° |
| C12 | C11 | C09 | 119.4° | 120.1° |
| C12 | C11 | C16 | 119.6° | 119.8° |
| C11 | C12 | H18 | 119.5° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.2° |
| C14 | C13 | H1 | 120.3° | 119.9° |
| C13 | C14 | H2 | 119.5° | 119.9° |
| C03 | C08 | C09 | 119.1° | 118.3° |
| C08 | C03 | C02 | 120.3° | 118.3° |
| C08 | C09 | C11 | 123.6° | 120.4° |
| C08 | C09 | C01 | 118.1° | 119.2° |
| C03 | C02 | O01 | 122.2° | 120.2° |
| C03 | C02 | N01 | 117.9° | 119.5° |
| O01 | C02 | N01 | 119.8° | 120.2° |
| C02 | N01 | C01 | 122.5° | 122.4° |
| C02 | N01 | C10 | 119.6° | 118.8° |
| C11 | C09 | C01 | 118.3° | 120.4° |
| C09 | C11 | C16 | 121.0° | 120.1° |
| C09 | C01 | N01 | 122.0° | 122.2° |
| C09 | C01 | H10 | 119.0° | 118.8° |
| C11 | C16 | C15 | 121.3° | 119.8° |
| C11 | C16 | H3 | 119.4° | 120.1° |
| C14 | C15 | C16 | 117.9° | 120.0° |
| C14 | C15 | N02 | 119.4° | 120.0° |
| C15 | C14 | H2 | 119.5° | 119.9° |
| C01 | N01 | C10 | 117.8° | 118.8° |
| N01 | C01 | H10 | 119.0° | 118.9° |
| N01 | C10 | H15 | 109.5° | 109.4° |
| N01 | C10 | H16 | 109.5° | 109.5° |
| N01 | C10 | H17 | 109.5° | 109.5° |
| C16 | C15 | N02 | 122.7° | 120.0° |
| C15 | C16 | H3 | 119.4° | 120.1° |
| C15 | N02 | C17 | 121.7° | 124.4° |
| C15 | N02 | C20 | 126.3° | 124.3° |
| C17 | N02 | C20 | 111.7° | 111.3° |
| N02 | C17 | C18 | 105.1° | 105.5° |
| N02 | C17 | H4 | 110.6° | 110.2° |
| N02 | C17 | H5 | 110.5° | 110.3° |
| N02 | C20 | O02 | 124.6° | 124.9° |
| N02 | C20 | C19 | 111.5° | 110.1° |
| C17 | C18 | C19 | 103.9° | 101.8° |
| C18 | C17 | H4 | 110.6° | 110.3° |
| C18 | C17 | H5 | 110.5° | 110.2° |
| C17 | C18 | H6 | 110.8° | 111.0° |
| C17 | C18 | H7 | 110.8° | 110.9° |
| O02 | C20 | C19 | 123.8° | 125.0° |
| C20 | C19 | C18 | 105.0° | 104.2° |
| C20 | C19 | H8 | 110.6° | 110.5° |
| C20 | C19 | H9 | 110.6° | 110.6° |
| C19 | C18 | H6 | 110.8° | 111.0° |
| C19 | C18 | H7 | 110.8° | 111.0° |
| C18 | C19 | H8 | 110.6° | 110.5° |
| C18 | C19 | H9 | 110.6° | 110.5° |
| H4 | C17 | H5 | 109.5° | 110.2° |
| H6 | C18 | H7 | 109.5° | 110.8° |
| H8 | C19 | H9 | 109.5° | 110.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H17 | 109.4° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H12 | 180.0° | 180.0° |
| C05 | C06 | C07 | H13 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.4° | 0.6° |
| C06 | C05 | C04 | C03 | 4.4° | 0.0° |
| C06 | C05 | C04 | H11 | 175.6° | 180.0° |
| C05 | C06 | C07 | H14 | 179.6° | 180.0° |
| C04 | C05 | C06 | C07 | 3.7° | 0.0° |
| C05 | C04 | C03 | H11 | 180.0° | 180.0° |
| C05 | C04 | C03 | C08 | 1.6° | 0.6° |
| C05 | C04 | C03 | C02 | 175.3° | 180.0° |
| C04 | C05 | C06 | H13 | 176.3° | 180.0° |
| C06 | C07 | C08 | H14 | 180.0° | 179.4° |
| C06 | C07 | C08 | C03 | 2.3° | 1.1° |
| C06 | C07 | C08 | C09 | 178.6° | 179.6° |
| C07 | C06 | C05 | H12 | 176.3° | 179.9° |
| C07 | C08 | C03 | C04 | 1.7° | 1.2° |
| C07 | C08 | C03 | C09 | 176.4° | 178.5° |
| C07 | C08 | C03 | C02 | 178.6° | 179.4° |
| C07 | C08 | C09 | C11 | 3.9° | 0.9° |
| C07 | C08 | C09 | C01 | 179.9° | 179.1° |
| C08 | C07 | C06 | H13 | 179.6° | 179.4° |
| C04 | C03 | C08 | C02 | 176.9° | 179.4° |
| C04 | C03 | C08 | C09 | 178.1° | 179.7° |
| C04 | C03 | C02 | O01 | 1.2° | 0.0° |
| C04 | C03 | C02 | N01 | 177.8° | 180.0° |
| C03 | C04 | C05 | H12 | 175.6° | 180.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.9° |
| C12 | C13 | C14 | H1 | 180.0° | 179.3° |
| C13 | C12 | C11 | C09 | 177.4° | 179.8° |
| C13 | C12 | C11 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 1.8° | 0.7° |
| C12 | C13 | C14 | H2 | 178.2° | 179.2° |
| C11 | C12 | C13 | C14 | 1.2° | 0.5° |
| C12 | C11 | C09 | C08 | 59.4° | 65.3° |
| C12 | C11 | C09 | C16 | 177.3° | 179.8° |
| C12 | C11 | C09 | C01 | 116.6° | 114.7° |
| C12 | C11 | C16 | C15 | 0.8° | 0.2° |
| C11 | C12 | C13 | H1 | 178.8° | 179.8° |
| C12 | C11 | C16 | H3 | 179.1° | 179.7° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.0° | 0.5° |
| C13 | C14 | C15 | N02 | 179.0° | 180.0° |
| C14 | C13 | C12 | H18 | 178.8° | 179.4° |
| C08 | C03 | C02 | O01 | 178.1° | 179.4° |
| C08 | C03 | C02 | N01 | 5.3° | 0.6° |
| C03 | C08 | C09 | C11 | 179.8° | 179.4° |
| C03 | C08 | C09 | C01 | 3.8° | 0.6° |
| C08 | C03 | C04 | H11 | 178.4° | 179.4° |
| C03 | C08 | C07 | H14 | 177.7° | 179.5° |
| C09 | C08 | C03 | C02 | 5.0° | 0.9° |
| C08 | C09 | C11 | C01 | 176.0° | 180.0° |
| C08 | C09 | C11 | C16 | 123.3° | 114.9° |
| C08 | C09 | C01 | N01 | 3.2° | 0.1° |
| C08 | C09 | C01 | H10 | 176.9° | 179.7° |
| C09 | C08 | C07 | H14 | 1.4° | 1.0° |
| C03 | C02 | O01 | N01 | 176.5° | 180.0° |
| C03 | C02 | N01 | C01 | 4.6° | 0.0° |
| C03 | C02 | N01 | C10 | 180.0° | 179.9° |
| C02 | C03 | C04 | H11 | 4.7° | 0.0° |
| O01 | C02 | N01 | C01 | 178.7° | 180.0° |
| O01 | C02 | N01 | C10 | 3.3° | 0.1° |
| C02 | N01 | C01 | C09 | 3.7° | 0.2° |
| C02 | N01 | C01 | C10 | 175.5° | 179.9° |
| C02 | N01 | C01 | H10 | 176.4° | 180.0° |
| C02 | N01 | C10 | H15 | 180.0° | 90.0° |
| C02 | N01 | C10 | H16 | 60.0° | 29.9° |
| C02 | N01 | C10 | H17 | 60.0° | 150.0° |
| C11 | C09 | C01 | N01 | 179.4° | 180.0° |
| C09 | C11 | C16 | C15 | 178.2° | 180.0° |
| C09 | C11 | C16 | H3 | 1.8° | 0.1° |
| C11 | C09 | C01 | H10 | 0.6° | 0.3° |
| C09 | C11 | C12 | H18 | 2.5° | 0.3° |
| C01 | C09 | C11 | C16 | 60.7° | 65.0° |
| C09 | C01 | N01 | H10 | 180.0° | 179.7° |
| C09 | C01 | N01 | C10 | 179.2° | 179.7° |
| C11 | C16 | C15 | C14 | 0.3° | 0.0° |
| C11 | C16 | C15 | H3 | 180.0° | 179.9° |
| C11 | C16 | C15 | N02 | 177.6° | 179.5° |
| C16 | C11 | C12 | H18 | 179.9° | 179.9° |
| C14 | C15 | C16 | N02 | 177.9° | 179.5° |
| C14 | C15 | N02 | C17 | 19.9° | 5.9° |
| C14 | C15 | N02 | C20 | 153.0° | 174.2° |
| C15 | C14 | C13 | H1 | 178.2° | 180.0° |
| C14 | C15 | C16 | H3 | 179.7° | 179.9° |
| C01 | N01 | C10 | H15 | 4.3° | 90.0° |
| C01 | N01 | C10 | H16 | 124.4° | 150.0° |
| C01 | N01 | C10 | H17 | 115.6° | 29.9° |
| C10 | N01 | C01 | H10 | 0.8° | 0.1° |
| N01 | C10 | H15 | H16 | 120.0° | 120.0° |
| N01 | C10 | H15 | H17 | 120.0° | 120.0° |
| N01 | C10 | H16 | H17 | 120.0° | 120.1° |
| C16 | C15 | N02 | C17 | 162.2° | 173.7° |
| C16 | C15 | N02 | C20 | 24.8° | 6.3° |
| C16 | C15 | C14 | H2 | 179.0° | 179.4° |
| C15 | N02 | C17 | C20 | 173.9° | 180.0° |
| C15 | N02 | C17 | C18 | 173.5° | 163.0° |
| C15 | N02 | C20 | O02 | 1.2° | 0.4° |
| C15 | N02 | C20 | C19 | 176.3° | 179.6° |
| N02 | C15 | C14 | H2 | 1.0° | 0.1° |
| N02 | C15 | C16 | H3 | 2.4° | 0.5° |
| C15 | N02 | C17 | H4 | 54.2° | 78.0° |
| C15 | N02 | C17 | H5 | 67.2° | 43.9° |
| N02 | C17 | C18 | H4 | 119.3° | 119.0° |
| N02 | C17 | C18 | H5 | 119.3° | 119.1° |
| C17 | N02 | C20 | O02 | 174.7° | 179.7° |
| C17 | N02 | C20 | C19 | 2.7° | 0.4° |
| N02 | C17 | C18 | C19 | 16.7° | 25.4° |
| N02 | C17 | H4 | H5 | 122.0° | 122.0° |
| N02 | C17 | C18 | H6 | 102.4° | 92.8° |
| N02 | C17 | C18 | H7 | 135.8° | 143.6° |
| C20 | N02 | C17 | C18 | 12.6° | 17.0° |
| N02 | C20 | O02 | C19 | 177.1° | 179.9° |
| N02 | C20 | C19 | C18 | 8.4° | 16.3° |
| C20 | N02 | C17 | H4 | 131.9° | 102.0° |
| C20 | N02 | C17 | H5 | 106.7° | 136.0° |
| N02 | C20 | C19 | H8 | 110.9° | 134.9° |
| N02 | C20 | C19 | H9 | 127.7° | 102.5° |
| C17 | C18 | C19 | C20 | 15.2° | 24.8° |
| C17 | C18 | C19 | H6 | 119.1° | 118.2° |
| C17 | C18 | C19 | H7 | 119.1° | 118.1° |
| C18 | C17 | H4 | H5 | 122.0° | 121.9° |
| C17 | C18 | H6 | H7 | 122.6° | 123.7° |
| C17 | C18 | C19 | H8 | 104.1° | 143.4° |
| C17 | C18 | C19 | H9 | 134.5° | 94.0° |
| O02 | C20 | C19 | C18 | 174.2° | 163.7° |
| O02 | C20 | C19 | H8 | 66.5° | 45.1° |
| O02 | C20 | C19 | H9 | 54.9° | 77.6° |
| C20 | C19 | C18 | H8 | 119.3° | 118.6° |
| C20 | C19 | C18 | H9 | 119.3° | 118.8° |
| C20 | C19 | C18 | H6 | 103.9° | 93.4° |
| C20 | C19 | C18 | H7 | 134.3° | 142.9° |
| C20 | C19 | H8 | H9 | 122.1° | 122.7° |
| C19 | C18 | C17 | H4 | 136.0° | 93.6° |
| C19 | C18 | C17 | H5 | 102.6° | 144.5° |
| C19 | C18 | H6 | H7 | 122.6° | 123.8° |
| C18 | C19 | H8 | H9 | 122.0° | 122.6° |
| H1 | C13 | C14 | H2 | 1.8° | 0.1° |
| H1 | C13 | C12 | H18 | 1.2° | 0.2° |
| H4 | C17 | C18 | H6 | 16.9° | 148.3° |
| H4 | C17 | C18 | H7 | 104.9° | 24.6° |
| H5 | C17 | C18 | H6 | 138.3° | 26.4° |
| H5 | C17 | C18 | H7 | 16.5° | 97.3° |
| H6 | C18 | C19 | H8 | 136.8° | 25.3° |
| H6 | C18 | C19 | H9 | 15.4° | 147.8° |
| H7 | C18 | C19 | H8 | 15.0° | 98.5° |
| H7 | C18 | C19 | H9 | 106.4° | 24.1° |
| H11 | C04 | C05 | H12 | 4.4° | 0.0° |
| H12 | C05 | C06 | H13 | 3.7° | 0.1° |
| H13 | C06 | C07 | H14 | 0.4° | 0.0° |
| H15 | C10 | H16 | H17 | 120.0° | 119.9° |
