ZLW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C3 | sing | 1.35Å | 1.32Å | |
| C3 | O1 | doub | 1.22Å | 1.24Å | |
| C3 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| N4 | C8 | sing | 1.35Å | 1.35Å | |
| C8 | O2 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.38Å | Aromatic |
| C12 | O3 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | C7 | sing | 1.47Å | 1.46Å | |
| C9 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | H19 | sing | 1.01Å | 1.00Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 112.7° | 109.4° |
| C1 | N1 | H19 | 109.5° | 111.0° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| N1 | C1 | H3 | 108.6° | 109.5° |
| N1 | C1 | H4 | 108.6° | 109.5° |
| C1 | C2 | N2 | 111.2° | 109.4° |
| C2 | C1 | H3 | 108.7° | 109.4° |
| C2 | C1 | H4 | 108.7° | 109.4° |
| C1 | C2 | H6 | 109.0° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C2 | N2 | C3 | 122.7° | 120.0° |
| N2 | C2 | H6 | 109.0° | 109.5° |
| N2 | C2 | H5 | 109.0° | 109.5° |
| C2 | N2 | H7 | 118.7° | 120.0° |
| N2 | C3 | O1 | 120.7° | 120.0° |
| N2 | C3 | N3 | 118.2° | 120.0° |
| C3 | N2 | H7 | 118.6° | 120.0° |
| O1 | C3 | N3 | 121.1° | 120.1° |
| C3 | N3 | C4 | 122.5° | 120.6° |
| C3 | N3 | C7 | 124.5° | 120.5° |
| N3 | C4 | C5 | 111.2° | 108.6° |
| C4 | N3 | C7 | 113.0° | 118.8° |
| N3 | C4 | H8 | 109.0° | 109.6° |
| N3 | C4 | H9 | 109.1° | 109.6° |
| C4 | C5 | N4 | 109.6° | 108.6° |
| C5 | C4 | H8 | 109.0° | 109.6° |
| C5 | C4 | H9 | 109.0° | 109.6° |
| C4 | C5 | H11 | 109.4° | 109.6° |
| C4 | C5 | H10 | 109.5° | 109.6° |
| C5 | N4 | C6 | 111.2° | 118.8° |
| C5 | N4 | C8 | 128.1° | 120.6° |
| N4 | C5 | H11 | 109.4° | 109.6° |
| N4 | C5 | H10 | 109.4° | 109.6° |
| N4 | C6 | C7 | 108.4° | 108.6° |
| C6 | N4 | C8 | 120.6° | 120.6° |
| N4 | C6 | H12 | 109.8° | 109.6° |
| N4 | C6 | H13 | 109.7° | 109.8° |
| C6 | C7 | N3 | 110.3° | 108.6° |
| C7 | C6 | H12 | 109.7° | 109.6° |
| C7 | C6 | H13 | 109.7° | 109.6° |
| C6 | C7 | H15 | 109.3° | 109.6° |
| C6 | C7 | H14 | 109.2° | 109.6° |
| N4 | C8 | O2 | 118.8° | 120.0° |
| N4 | C8 | C9 | 124.3° | 120.0° |
| O2 | C8 | C9 | 116.9° | 120.0° |
| C8 | C9 | C10 | 129.8° | 126.0° |
| C8 | C9 | O3 | 120.2° | 126.0° |
| C9 | C10 | C11 | 107.1° | 106.7° |
| C10 | C9 | O3 | 110.0° | 108.0° |
| C9 | C10 | H16 | 126.4° | 126.7° |
| C10 | C11 | C12 | 106.1° | 107.1° |
| C11 | C10 | H16 | 126.4° | 126.6° |
| C10 | C11 | H17 | 126.9° | 126.5° |
| C11 | C12 | O3 | 110.0° | 108.8° |
| C12 | C11 | H17 | 126.9° | 126.4° |
| C11 | C12 | H18 | 125.0° | 125.6° |
| C12 | O3 | C9 | 106.7° | 109.4° |
| O3 | C12 | H18 | 125.0° | 125.6° |
| N3 | C7 | H15 | 109.3° | 109.7° |
| N3 | C7 | H14 | 109.3° | 109.6° |
| H19 | N1 | H1 | 109.4° | 111.0° |
| H8 | C4 | H9 | 109.4° | 109.7° |
| H11 | C5 | H10 | 109.5° | 109.7° |
| H12 | C6 | H13 | 109.5° | 109.7° |
| H15 | C7 | H14 | 109.5° | 109.8° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H6 | C2 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H3 | 120.5° | 120.0° |
| N1 | C1 | C2 | H4 | 120.5° | 120.0° |
| N1 | C1 | C2 | N2 | 168.9° | 180.0° |
| C1 | N1 | H19 | H1 | 120.0° | 123.9° |
| N1 | C1 | H3 | H4 | 118.5° | 120.1° |
| N1 | C1 | C2 | H6 | 48.6° | 60.0° |
| N1 | C1 | C2 | H5 | 70.8° | 60.0° |
| C1 | C2 | N2 | H6 | 120.3° | 120.0° |
| C1 | C2 | N2 | H5 | 120.3° | 120.0° |
| C1 | C2 | N2 | C3 | 60.6° | 180.0° |
| C2 | C1 | N1 | H19 | 180.0° | 56.1° |
| C2 | C1 | N1 | H1 | 60.0° | 180.0° |
| C2 | C1 | H3 | H4 | 118.5° | 120.0° |
| C1 | C2 | H6 | H5 | 119.2° | 120.0° |
| C1 | C2 | N2 | H7 | 119.4° | 0.0° |
| C2 | N2 | C3 | H7 | 180.0° | 180.0° |
| C2 | N2 | C3 | O1 | 17.0° | 5.2° |
| C2 | N2 | C3 | N3 | 161.8° | 174.8° |
| N2 | C2 | C1 | H3 | 70.6° | 60.0° |
| N2 | C2 | C1 | H4 | 48.4° | 60.0° |
| N2 | C2 | H6 | H5 | 119.2° | 120.1° |
| N2 | C3 | O1 | N3 | 178.7° | 180.0° |
| N2 | C3 | N3 | C4 | 171.0° | 5.2° |
| N2 | C3 | N3 | C7 | 11.0° | 174.5° |
| C3 | N2 | C2 | H6 | 179.2° | 60.0° |
| C3 | N2 | C2 | H5 | 59.7° | 60.0° |
| O1 | C3 | N3 | C4 | 10.2° | 174.8° |
| O1 | C3 | N3 | C7 | 167.8° | 5.5° |
| O1 | C3 | N2 | H7 | 163.0° | 174.9° |
| C3 | N3 | C4 | C7 | 178.2° | 179.7° |
| C3 | N3 | C4 | C5 | 129.2° | 124.5° |
| C3 | N3 | C7 | C6 | 126.7° | 124.5° |
| C3 | N3 | C4 | H8 | 8.9° | 115.7° |
| C3 | N3 | C4 | H9 | 110.5° | 4.7° |
| C3 | N3 | C7 | H15 | 6.5° | 4.8° |
| C3 | N3 | C7 | H14 | 113.2° | 115.8° |
| N3 | C3 | N2 | H7 | 18.2° | 5.1° |
| N3 | C4 | C5 | H8 | 120.3° | 119.8° |
| N3 | C4 | C5 | H9 | 120.3° | 119.7° |
| N3 | C4 | C5 | N4 | 53.5° | 49.4° |
| C4 | N3 | C7 | C6 | 55.2° | 55.2° |
| N3 | C4 | H8 | H9 | 119.2° | 120.4° |
| N3 | C4 | C5 | H11 | 66.5° | 169.2° |
| N3 | C4 | C5 | H10 | 173.5° | 70.4° |
| C4 | N3 | C7 | H15 | 175.3° | 175.0° |
| C4 | N3 | C7 | H14 | 65.0° | 64.5° |
| C4 | C5 | N4 | H11 | 120.0° | 119.7° |
| C4 | C5 | N4 | H10 | 120.0° | 119.8° |
| C4 | C5 | N4 | C6 | 59.6° | 55.3° |
| C4 | C5 | N4 | C8 | 115.9° | 124.8° |
| C5 | C4 | N3 | C7 | 52.6° | 55.2° |
| C5 | C4 | H8 | H9 | 119.1° | 120.4° |
| C4 | C5 | H11 | H10 | 120.0° | 120.4° |
| C5 | N4 | C6 | C8 | 175.8° | 180.0° |
| C5 | N4 | C6 | C7 | 62.0° | 55.2° |
| C5 | N4 | C8 | O2 | 164.6° | 173.4° |
| C5 | N4 | C8 | C9 | 18.3° | 6.5° |
| N4 | C5 | C4 | H8 | 173.8° | 70.3° |
| N4 | C5 | C4 | H9 | 66.8° | 169.2° |
| N4 | C5 | H11 | H10 | 119.9° | 120.4° |
| C5 | N4 | C6 | H12 | 57.8° | 64.5° |
| C5 | N4 | C6 | H13 | 178.1° | 175.1° |
| N4 | C6 | C7 | H12 | 119.8° | 119.7° |
| N4 | C6 | C7 | H13 | 119.8° | 119.9° |
| C6 | N4 | C8 | O2 | 20.3° | 6.6° |
| C6 | N4 | C8 | C9 | 156.7° | 173.4° |
| N4 | C6 | C7 | N3 | 58.6° | 49.4° |
| C6 | N4 | C5 | H11 | 60.4° | 175.0° |
| C6 | N4 | C5 | H10 | 179.6° | 64.5° |
| N4 | C6 | H12 | H13 | 120.5° | 120.5° |
| N4 | C6 | C7 | H15 | 178.7° | 169.2° |
| N4 | C6 | C7 | H14 | 61.5° | 70.3° |
| C7 | C6 | N4 | C8 | 113.8° | 124.8° |
| C6 | C7 | N3 | H15 | 120.1° | 119.7° |
| C6 | C7 | N3 | H14 | 120.1° | 119.7° |
| C7 | C6 | H12 | H13 | 120.5° | 120.4° |
| C6 | C7 | H15 | H14 | 119.6° | 120.4° |
| N4 | C8 | O2 | C9 | 177.3° | 179.9° |
| N4 | C8 | C9 | C10 | 170.9° | 172.5° |
| N4 | C8 | C9 | O3 | 8.8° | 8.0° |
| C8 | N4 | C5 | H11 | 124.1° | 5.0° |
| C8 | N4 | C5 | H10 | 4.2° | 115.4° |
| C8 | N4 | C6 | H12 | 126.4° | 115.5° |
| C8 | N4 | C6 | H13 | 6.0° | 5.0° |
| O2 | C8 | C9 | C10 | 12.0° | 7.4° |
| O2 | C8 | C9 | O3 | 168.3° | 172.1° |
| C8 | C9 | C10 | O3 | 179.7° | 179.6° |
| C8 | C9 | C10 | C11 | 178.8° | 179.9° |
| C8 | C9 | O3 | C12 | 179.0° | 180.0° |
| C8 | C9 | C10 | H16 | 1.2° | 0.2° |
| C9 | C10 | C11 | H16 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 1.1° | 0.2° |
| C10 | C9 | O3 | C12 | 1.2° | 0.4° |
| C9 | C10 | C11 | H17 | 178.9° | 179.8° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | O3 | 0.4° | 0.0° |
| C11 | C10 | C9 | O3 | 1.5° | 0.4° |
| C10 | C11 | C12 | H18 | 179.6° | 179.9° |
| C11 | C12 | O3 | H18 | 180.0° | 180.0° |
| C11 | C12 | O3 | C9 | 0.5° | 0.3° |
| C12 | C11 | C10 | H16 | 178.9° | 180.0° |
| O3 | C12 | C11 | H17 | 179.6° | 180.0° |
| C7 | N3 | C4 | H8 | 172.9° | 64.5° |
| C7 | N3 | C4 | H9 | 67.7° | 175.0° |
| N3 | C7 | C6 | H12 | 61.3° | 70.3° |
| N3 | C7 | C6 | H13 | 178.4° | 169.3° |
| N3 | C7 | H15 | H14 | 119.6° | 120.5° |
| O3 | C9 | C10 | H16 | 178.5° | 179.8° |
| C9 | O3 | C12 | H18 | 179.5° | 179.7° |
| H19 | N1 | C1 | H3 | 59.5° | 176.1° |
| H19 | N1 | C1 | H4 | 59.5° | 63.9° |
| H1 | N1 | C1 | H3 | 60.5° | 60.0° |
| H1 | N1 | C1 | H4 | 179.5° | 60.1° |
| H8 | C4 | C5 | H11 | 53.8° | 49.4° |
| H8 | C4 | C5 | H10 | 66.2° | 169.9° |
| H9 | C4 | C5 | H11 | 173.2° | 71.1° |
| H9 | C4 | C5 | H10 | 53.2° | 49.4° |
| H12 | C6 | C7 | H15 | 58.9° | 49.5° |
| H12 | C6 | C7 | H14 | 178.6° | 170.0° |
| H13 | C6 | C7 | H15 | 61.5° | 70.9° |
| H13 | C6 | C7 | H14 | 58.3° | 49.6° |
| H16 | C10 | C11 | H17 | 1.1° | 0.1° |
| H3 | C1 | C2 | H6 | 169.1° | 180.0° |
| H3 | C1 | C2 | H5 | 49.7° | 60.0° |
| H4 | C1 | C2 | H6 | 71.8° | 60.0° |
| H4 | C1 | C2 | H5 | 168.7° | 180.0° |
| H17 | C11 | C12 | H18 | 0.4° | 0.0° |
| H6 | C2 | N2 | H7 | 0.8° | 120.0° |
| H5 | C2 | N2 | H7 | 120.3° | 120.0° |
