ZLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | N1 | sing | 1.35Å | 1.39Å | |
| N2 | C5 | sing | 1.35Å | 1.35Å | |
| C6 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C9 | C7 | sing | 1.53Å | 1.50Å | |
| O | C5 | doub | 1.22Å | 1.23Å | |
| N | C10 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C11 | C12 | doub | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.32Å | Aromatic |
| C14 | O1 | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | C11 | sing | 1.35Å | 1.37Å | Aromatic |
| C10 | O2 | doub | 1.22Å | 1.23Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 111.3° | 109.6° |
| C | C1 | N1 | 111.4° | 109.9° |
| C | C1 | H3 | 107.9° | 109.7° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C2 | N | 110.5° | 108.8° |
| C2 | C1 | N1 | 109.9° | 108.7° |
| C1 | C2 | H5 | 109.2° | 109.5° |
| C1 | C2 | H4 | 109.2° | 109.7° |
| C2 | C1 | H3 | 107.8° | 109.7° |
| C2 | N | C3 | 111.0° | 119.1° |
| C2 | N | C10 | 122.5° | 120.5° |
| N | C2 | H5 | 109.2° | 109.7° |
| N | C2 | H4 | 109.3° | 109.6° |
| N | C3 | C4 | 110.5° | 108.7° |
| C3 | N | C10 | 126.3° | 120.4° |
| N | C3 | H7 | 109.2° | 109.6° |
| N | C3 | H6 | 109.2° | 109.6° |
| C3 | C4 | N1 | 110.4° | 108.6° |
| C3 | C4 | H9 | 109.3° | 109.6° |
| C3 | C4 | H8 | 109.2° | 109.7° |
| C4 | C3 | H7 | 109.2° | 109.6° |
| C4 | C3 | H6 | 109.2° | 109.6° |
| C4 | N1 | C1 | 112.6° | 118.8° |
| C4 | N1 | C5 | 126.8° | 120.6° |
| N1 | C4 | H9 | 109.2° | 109.6° |
| N1 | C4 | H8 | 109.3° | 109.6° |
| C1 | N1 | C5 | 118.9° | 120.6° |
| N1 | C1 | H3 | 108.4° | 109.3° |
| N1 | C5 | N2 | 117.4° | 120.0° |
| N1 | C5 | O | 121.7° | 120.0° |
| C5 | N2 | C6 | 121.9° | 120.0° |
| N2 | C5 | O | 120.9° | 120.0° |
| C5 | N2 | H10 | 119.0° | 120.0° |
| N2 | C6 | C7 | 112.3° | 109.5° |
| N2 | C6 | H12 | 108.7° | 109.5° |
| N2 | C6 | H11 | 108.8° | 109.4° |
| C6 | N2 | H10 | 119.0° | 120.0° |
| C6 | C7 | C8 | 118.2° | 117.5° |
| C6 | C7 | C9 | 119.1° | 117.5° |
| C7 | C6 | H12 | 108.8° | 109.5° |
| C7 | C6 | H11 | 108.8° | 109.5° |
| C6 | C7 | H13 | 115.8° | 115.5° |
| C7 | C8 | C9 | 60.2° | 60.0° |
| C8 | C7 | C9 | 59.9° | 60.0° |
| C8 | C7 | H13 | 116.3° | 117.5° |
| C7 | C8 | H14 | 120.0° | 117.5° |
| C7 | C8 | H15 | 120.0° | 117.5° |
| C8 | C9 | C7 | 59.9° | 60.0° |
| C9 | C8 | H14 | 119.9° | 117.5° |
| C9 | C8 | H15 | 119.9° | 117.5° |
| C8 | C9 | H16 | 120.0° | 117.5° |
| C8 | C9 | H17 | 120.0° | 117.5° |
| C9 | C7 | H13 | 116.2° | 117.5° |
| C7 | C9 | H16 | 120.0° | 117.5° |
| C7 | C9 | H17 | 120.0° | 117.5° |
| N | C10 | C11 | 121.2° | 120.0° |
| N | C10 | O2 | 121.8° | 120.0° |
| C10 | C11 | C12 | 133.3° | 126.0° |
| C10 | C11 | O1 | 117.0° | 126.0° |
| C11 | C10 | O2 | 116.9° | 120.0° |
| C11 | C12 | C13 | 106.7° | 106.7° |
| C12 | C11 | O1 | 109.6° | 108.0° |
| C11 | C12 | H18 | 126.7° | 126.6° |
| C12 | C13 | C14 | 106.9° | 107.1° |
| C12 | C13 | H19 | 126.6° | 126.4° |
| C13 | C12 | H18 | 126.7° | 126.7° |
| C13 | C14 | O1 | 110.6° | 108.7° |
| C14 | C13 | H19 | 126.5° | 126.5° |
| C13 | C14 | H20 | 124.7° | 125.6° |
| C14 | O1 | C11 | 106.2° | 109.4° |
| O1 | C14 | H20 | 124.7° | 125.6° |
| H9 | C4 | H8 | 109.5° | 109.8° |
| H12 | C6 | H11 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 115.5° |
| H5 | C2 | H4 | 109.4° | 109.7° |
| H7 | C3 | H6 | 109.5° | 109.7° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N1 | 123.9° | 120.1° |
| C | C1 | C2 | H3 | 118.1° | 120.5° |
| C | C1 | C2 | N | 67.7° | 169.1° |
| C | C1 | N1 | C4 | 68.5° | 175.2° |
| C | C1 | N1 | H3 | 118.6° | 120.5° |
| C | C1 | N1 | C5 | 97.8° | 5.1° |
| C | C1 | C2 | H5 | 52.4° | 71.1° |
| C | C1 | C2 | H4 | 172.1° | 49.3° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | N | H5 | 120.2° | 119.7° |
| C1 | C2 | N | H4 | 120.1° | 119.9° |
| C1 | C2 | N | C3 | 58.6° | 54.6° |
| C2 | C1 | N1 | C4 | 55.4° | 55.3° |
| C2 | C1 | N1 | H3 | 117.5° | 119.6° |
| C2 | C1 | N1 | C5 | 138.3° | 125.0° |
| C1 | C2 | N | C10 | 126.8° | 124.8° |
| C1 | C2 | H5 | H4 | 119.5° | 120.4° |
| C2 | C1 | C | H | 180.0° | 66.2° |
| C2 | C1 | C | H1 | 60.0° | 173.7° |
| C2 | C1 | C | H2 | 60.0° | 53.7° |
| C2 | N | C3 | C10 | 174.3° | 179.4° |
| C2 | N | C3 | C4 | 58.3° | 54.8° |
| N | C2 | C1 | N1 | 56.2° | 49.0° |
| C2 | N | C10 | C11 | 176.7° | 6.3° |
| C2 | N | C10 | O2 | 8.4° | 173.7° |
| N | C2 | H5 | H4 | 119.6° | 120.4° |
| C2 | N | C3 | H7 | 178.4° | 174.6° |
| C2 | N | C3 | H6 | 61.9° | 64.9° |
| N | C2 | C1 | H3 | 174.1° | 70.4° |
| N | C3 | C4 | H7 | 120.1° | 119.8° |
| N | C3 | C4 | H6 | 120.2° | 119.7° |
| N | C3 | C4 | N1 | 55.8° | 49.4° |
| C3 | N | C10 | C11 | 9.6° | 174.3° |
| C3 | N | C10 | O2 | 165.4° | 5.8° |
| N | C3 | C4 | H9 | 64.3° | 70.3° |
| N | C3 | C4 | H8 | 176.0° | 169.2° |
| C3 | N | C2 | H5 | 178.8° | 174.3° |
| C3 | N | C2 | H4 | 61.5° | 65.2° |
| N | C3 | H7 | H6 | 119.5° | 120.4° |
| C3 | C4 | N1 | H9 | 120.1° | 119.7° |
| C3 | C4 | N1 | H8 | 120.1° | 119.8° |
| C3 | C4 | N1 | C1 | 55.3° | 55.4° |
| C3 | C4 | N1 | C5 | 139.6° | 124.8° |
| C4 | C3 | N | C10 | 127.4° | 124.7° |
| C3 | C4 | H9 | H8 | 119.6° | 120.5° |
| C4 | C3 | H7 | H6 | 119.6° | 120.4° |
| C4 | N1 | C1 | C5 | 166.3° | 179.8° |
| C4 | N1 | C5 | N2 | 2.2° | 6.5° |
| C4 | N1 | C5 | O | 177.2° | 173.4° |
| N1 | C4 | H9 | H8 | 119.6° | 120.4° |
| N1 | C4 | C3 | H7 | 176.0° | 169.2° |
| N1 | C4 | C3 | H6 | 64.3° | 70.3° |
| C4 | N1 | C1 | H3 | 172.9° | 64.4° |
| C1 | N1 | C5 | N2 | 166.4° | 173.8° |
| C1 | N1 | C5 | O | 13.0° | 6.3° |
| C1 | N1 | C4 | H9 | 64.8° | 64.3° |
| C1 | N1 | C4 | H8 | 175.5° | 175.2° |
| N1 | C1 | C2 | H5 | 176.4° | 168.8° |
| N1 | C1 | C2 | H4 | 64.0° | 70.8° |
| N1 | C1 | C | H | 57.0° | 53.1° |
| N1 | C1 | C | H1 | 177.0° | 67.0° |
| N1 | C1 | C | H2 | 63.0° | 173.1° |
| N1 | C5 | N2 | O | 179.4° | 179.9° |
| N1 | C5 | N2 | C6 | 146.2° | 174.9° |
| C5 | N1 | C4 | H9 | 100.2° | 115.5° |
| C5 | N1 | C4 | H8 | 19.5° | 5.0° |
| C5 | N1 | C1 | H3 | 20.8° | 115.4° |
| N1 | C5 | N2 | H10 | 33.7° | 5.0° |
| C5 | N2 | C6 | H10 | 180.0° | 179.9° |
| C5 | N2 | C6 | C7 | 96.7° | 180.0° |
| C5 | N2 | C6 | H12 | 142.9° | 60.0° |
| C5 | N2 | C6 | H11 | 23.7° | 60.1° |
| N2 | C6 | C7 | H12 | 120.4° | 120.0° |
| N2 | C6 | C7 | H11 | 120.4° | 120.0° |
| N2 | C6 | C7 | C8 | 151.7° | 175.0° |
| N2 | C6 | C7 | C9 | 82.4° | 116.4° |
| C6 | N2 | C5 | O | 34.3° | 5.2° |
| N2 | C6 | H12 | H11 | 118.7° | 120.0° |
| N2 | C6 | C7 | H13 | 63.6° | 29.3° |
| C6 | C7 | C8 | C9 | 109.0° | 107.5° |
| C6 | C7 | C8 | H13 | 144.6° | 145.0° |
| C6 | C7 | C9 | H13 | 145.8° | 145.0° |
| C7 | C6 | H12 | H11 | 118.7° | 120.0° |
| C6 | C7 | C8 | H14 | 141.5° | 145.0° |
| C6 | C7 | C8 | H15 | 0.5° | 0.0° |
| C7 | C6 | N2 | H10 | 83.3° | 0.0° |
| C6 | C7 | C9 | H16 | 142.9° | 0.0° |
| C6 | C7 | C9 | H17 | 1.8° | 145.0° |
| C7 | C8 | C9 | H14 | 109.5° | 107.5° |
| C7 | C8 | C9 | H15 | 109.5° | 107.5° |
| C8 | C7 | C9 | H13 | 106.6° | 107.5° |
| C8 | C7 | C6 | H12 | 87.9° | 65.0° |
| C8 | C7 | C6 | H11 | 31.3° | 55.0° |
| C7 | C8 | H14 | H15 | 144.6° | 145.7° |
| C8 | C7 | C9 | H16 | 109.4° | 107.5° |
| C8 | C7 | C9 | H17 | 109.4° | 107.5° |
| C9 | C8 | H14 | H15 | 144.6° | 145.6° |
| C8 | C9 | H16 | H17 | 144.8° | 145.7° |
| C9 | C7 | C6 | H12 | 157.2° | 3.6° |
| C9 | C7 | C6 | H11 | 38.0° | 123.6° |
| C7 | C9 | H16 | H17 | 144.8° | 145.7° |
| O | C5 | N2 | H10 | 145.7° | 174.9° |
| N | C10 | C11 | O2 | 175.2° | 180.0° |
| N | C10 | C11 | C12 | 159.1° | 177.3° |
| N | C10 | C11 | O1 | 24.0° | 3.0° |
| C10 | N | C2 | H5 | 6.7° | 5.1° |
| C10 | N | C2 | H4 | 113.0° | 115.3° |
| C10 | N | C3 | H7 | 7.2° | 4.9° |
| C10 | N | C3 | H6 | 112.4° | 115.6° |
| C10 | C11 | C12 | O1 | 177.1° | 179.7° |
| C10 | C11 | C12 | C13 | 177.1° | 180.0° |
| C10 | C11 | O1 | C14 | 177.6° | 179.9° |
| C10 | C11 | C12 | H18 | 2.9° | 0.3° |
| C11 | C12 | C13 | H18 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C11 | O1 | C14 | 0.0° | 0.4° |
| C12 | C11 | C10 | O2 | 16.1° | 2.7° |
| C11 | C12 | C13 | H19 | 180.0° | 179.8° |
| C12 | C13 | C14 | H19 | 180.0° | 179.8° |
| C12 | C13 | C14 | O1 | 0.0° | 0.2° |
| C13 | C12 | C11 | O1 | 0.0° | 0.3° |
| C12 | C13 | C14 | H20 | 180.0° | 179.7° |
| C13 | C14 | O1 | H20 | 180.0° | 179.9° |
| C13 | C14 | O1 | C11 | 0.0° | 0.4° |
| C14 | C13 | C12 | H18 | 180.0° | 179.8° |
| O1 | C14 | C13 | H19 | 180.0° | 180.0° |
| O1 | C11 | C10 | O2 | 160.8° | 177.0° |
| C11 | O1 | C14 | H20 | 180.0° | 179.6° |
| O1 | C11 | C12 | H18 | 180.0° | 180.0° |
| H9 | C4 | C3 | H7 | 55.8° | 49.5° |
| H9 | C4 | C3 | H6 | 175.5° | 170.0° |
| H8 | C4 | C3 | H7 | 63.9° | 71.1° |
| H8 | C4 | C3 | H6 | 55.8° | 49.4° |
| H12 | C6 | C7 | H13 | 56.9° | 149.3° |
| H12 | C6 | N2 | H10 | 37.1° | 120.0° |
| H11 | C6 | C7 | H13 | 176.0° | 90.7° |
| H11 | C6 | N2 | H10 | 156.3° | 120.0° |
| H13 | C7 | C8 | H14 | 3.1° | 0.0° |
| H13 | C7 | C8 | H15 | 144.1° | 145.0° |
| H13 | C7 | C9 | H16 | 2.9° | 145.0° |
| H13 | C7 | C9 | H17 | 144.0° | 0.0° |
| H14 | C8 | C9 | H16 | 0.1° | 145.0° |
| H14 | C8 | C9 | H17 | 141.0° | 0.1° |
| H15 | C8 | C9 | H16 | 141.0° | 0.1° |
| H15 | C8 | C9 | H17 | 0.1° | 145.0° |
| H19 | C13 | C14 | H20 | 0.0° | 0.1° |
| H19 | C13 | C12 | H18 | 0.0° | 0.1° |
| H5 | C2 | C1 | H3 | 65.7° | 49.4° |
| H4 | C2 | C1 | H3 | 53.9° | 169.8° |
| H3 | C1 | C | H | 61.9° | 173.3° |
| H3 | C1 | C | H1 | 58.1° | 53.2° |
| H3 | C1 | C | H2 | 178.1° | 66.7° |
| H | C | H1 | H2 | 120.0° | 120.1° |
