ZL3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C5 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C8 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.47Å | 1.48Å | |
| C9 | O | sing | 1.35Å | 1.36Å | Aromatic |
| O | C10 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C9 | doub | 1.37Å | 1.35Å | Aromatic |
| O1 | C8 | doub | 1.22Å | 1.23Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C13 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 109.7° | 109.5° |
| C | C1 | C13 | 112.2° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C | C1 | H3 | 108.2° | 109.5° |
| C1 | N | C2 | 122.2° | 120.0° |
| N | C1 | C13 | 109.6° | 109.5° |
| C1 | N | H4 | 118.9° | 120.0° |
| N | C1 | H3 | 108.8° | 109.5° |
| N | C2 | N1 | 117.1° | 120.0° |
| N | C2 | O2 | 121.4° | 120.0° |
| C2 | N | H4 | 118.9° | 120.0° |
| C2 | N1 | C3 | 124.2° | 120.6° |
| C2 | N1 | C6 | 120.7° | 120.6° |
| N1 | C2 | O2 | 121.5° | 120.1° |
| N1 | C3 | C4 | 109.9° | 108.6° |
| C3 | N1 | C6 | 112.1° | 118.8° |
| N1 | C3 | H5 | 109.4° | 109.6° |
| N1 | C3 | H6 | 109.4° | 109.5° |
| C3 | C4 | N2 | 109.9° | 108.6° |
| C3 | C4 | H8 | 109.3° | 109.4° |
| C3 | C4 | H7 | 109.3° | 109.9° |
| C4 | C3 | H5 | 109.3° | 109.6° |
| C4 | C3 | H6 | 109.4° | 109.6° |
| C4 | N2 | C5 | 111.3° | 118.7° |
| C4 | N2 | C8 | 119.7° | 120.6° |
| N2 | C4 | H8 | 109.4° | 109.6° |
| N2 | C4 | H7 | 109.3° | 109.6° |
| N2 | C5 | C6 | 113.1° | 108.7° |
| N2 | C5 | C7 | 111.4° | 109.8° |
| C5 | N2 | C8 | 128.9° | 120.7° |
| N2 | C5 | H9 | 107.2° | 109.5° |
| C5 | C6 | N1 | 110.8° | 108.6° |
| C6 | C5 | C7 | 111.3° | 109.6° |
| C6 | C5 | H9 | 106.7° | 109.6° |
| C5 | C6 | H11 | 109.1° | 109.6° |
| C5 | C6 | H10 | 109.1° | 109.6° |
| N1 | C6 | H11 | 109.1° | 109.6° |
| N1 | C6 | H10 | 109.2° | 109.6° |
| C7 | C5 | H9 | 106.7° | 109.6° |
| C5 | C7 | H12 | 109.5° | 109.4° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| N2 | C8 | C9 | 122.6° | 120.0° |
| N2 | C8 | O1 | 120.7° | 120.0° |
| C8 | C9 | O | 120.0° | 126.0° |
| C8 | C9 | C12 | 130.1° | 126.0° |
| C9 | C8 | O1 | 116.7° | 120.0° |
| C9 | O | C10 | 105.9° | 109.4° |
| O | C9 | C12 | 109.8° | 108.0° |
| O | C10 | C11 | 110.7° | 108.8° |
| O | C10 | H15 | 124.6° | 125.6° |
| C10 | C11 | C12 | 107.1° | 107.1° |
| C11 | C10 | H15 | 124.7° | 125.6° |
| C10 | C11 | H16 | 126.5° | 126.5° |
| C11 | C12 | C9 | 106.6° | 106.7° |
| C12 | C11 | H16 | 126.5° | 126.4° |
| C11 | C12 | H17 | 126.7° | 126.7° |
| C9 | C12 | H17 | 126.7° | 126.6° |
| C1 | C13 | H19 | 109.5° | 109.4° |
| C1 | C13 | H20 | 109.5° | 109.5° |
| C1 | C13 | H18 | 109.5° | 109.5° |
| C13 | C1 | H3 | 108.2° | 109.4° |
| H8 | C4 | H7 | 109.5° | 109.6° |
| H11 | C6 | H10 | 109.5° | 109.8° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H18 | 109.4° | 109.5° |
| H20 | C13 | H18 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | C13 | 123.6° | 120.1° |
| C | C1 | N | H3 | 118.2° | 120.0° |
| C | C1 | N | C2 | 136.5° | 84.9° |
| C | C1 | C13 | H3 | 119.3° | 120.0° |
| C | C1 | C13 | H19 | 180.0° | 60.0° |
| C | C1 | C13 | H20 | 60.0° | 180.0° |
| C | C1 | C13 | H18 | 60.0° | 60.0° |
| C | C1 | N | H4 | 43.5° | 95.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.1° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | N | C2 | H4 | 180.0° | 179.9° |
| C1 | N | C2 | N1 | 179.2° | 174.9° |
| C1 | N | C2 | O2 | 3.8° | 5.0° |
| N | C1 | C13 | H3 | 118.6° | 120.0° |
| N | C1 | C13 | H19 | 57.9° | 60.1° |
| N | C1 | C13 | H20 | 177.9° | 60.0° |
| N | C1 | C13 | H18 | 62.1° | 180.0° |
| N | C1 | C | H1 | 180.0° | 60.1° |
| N | C1 | C | H2 | 60.0° | 180.0° |
| N | C1 | C | H | 60.0° | 60.0° |
| N | C2 | N1 | O2 | 177.1° | 179.9° |
| N | C2 | N1 | C3 | 6.3° | 5.2° |
| N | C2 | N1 | C6 | 152.4° | 174.6° |
| C2 | N | C1 | C13 | 99.9° | 155.0° |
| C2 | N | C1 | H3 | 18.3° | 35.1° |
| C2 | N1 | C3 | C6 | 160.3° | 179.8° |
| C2 | N1 | C3 | C4 | 140.8° | 124.7° |
| C2 | N1 | C6 | C5 | 145.6° | 124.7° |
| C2 | N1 | C6 | H11 | 94.2° | 5.0° |
| C2 | N1 | C6 | H10 | 25.5° | 115.5° |
| N1 | C2 | N | H4 | 0.8° | 5.2° |
| C2 | N1 | C3 | H5 | 99.1° | 115.5° |
| C2 | N1 | C3 | H6 | 20.7° | 5.0° |
| N1 | C3 | C4 | H5 | 120.1° | 119.7° |
| N1 | C3 | C4 | H6 | 120.1° | 119.7° |
| N1 | C3 | C4 | N2 | 60.1° | 49.5° |
| C3 | N1 | C6 | C5 | 53.3° | 55.0° |
| C3 | N1 | C2 | O2 | 176.6° | 174.7° |
| N1 | C3 | C4 | H8 | 179.8° | 169.1° |
| N1 | C3 | C4 | H7 | 59.9° | 70.5° |
| C3 | N1 | C6 | H11 | 66.9° | 174.7° |
| C3 | N1 | C6 | H10 | 173.5° | 64.7° |
| N1 | C3 | H5 | H6 | 119.8° | 120.4° |
| C3 | C4 | N2 | H8 | 120.1° | 119.5° |
| C3 | C4 | N2 | H7 | 120.0° | 120.1° |
| C3 | C4 | N2 | C5 | 57.0° | 55.5° |
| C4 | C3 | N1 | C6 | 58.9° | 55.0° |
| C3 | C4 | N2 | C8 | 119.5° | 124.5° |
| C3 | C4 | H8 | H7 | 119.8° | 120.6° |
| C4 | C3 | H5 | H6 | 119.8° | 120.5° |
| C4 | N2 | C5 | C8 | 176.1° | 180.0° |
| C4 | N2 | C5 | C6 | 52.7° | 55.5° |
| C4 | N2 | C5 | C7 | 73.6° | 64.4° |
| C4 | N2 | C8 | C9 | 168.4° | 6.6° |
| C4 | N2 | C8 | O1 | 14.3° | 173.4° |
| N2 | C4 | H8 | H7 | 119.8° | 120.4° |
| C4 | N2 | C5 | H9 | 170.0° | 175.2° |
| N2 | C4 | C3 | H5 | 60.0° | 70.3° |
| N2 | C4 | C3 | H6 | 179.8° | 169.1° |
| N2 | C5 | C6 | C7 | 126.3° | 120.0° |
| N2 | C5 | C6 | H9 | 117.6° | 119.6° |
| N2 | C5 | C6 | N1 | 50.0° | 49.5° |
| N2 | C5 | C7 | H9 | 116.8° | 120.3° |
| C5 | N2 | C8 | C9 | 7.4° | 173.5° |
| C5 | N2 | C8 | O1 | 169.8° | 6.5° |
| C5 | N2 | C4 | H8 | 177.1° | 175.0° |
| C5 | N2 | C4 | H7 | 63.0° | 64.7° |
| N2 | C5 | C6 | H11 | 70.2° | 169.2° |
| N2 | C5 | C6 | H10 | 170.2° | 70.2° |
| N2 | C5 | C7 | H12 | 180.0° | 179.3° |
| N2 | C5 | C7 | H13 | 60.0° | 60.6° |
| N2 | C5 | C7 | H14 | 60.0° | 59.4° |
| C5 | C6 | N1 | H11 | 120.2° | 119.7° |
| C5 | C6 | N1 | H10 | 120.2° | 119.8° |
| C6 | C5 | C7 | H9 | 116.0° | 120.4° |
| C6 | C5 | N2 | C8 | 123.4° | 124.4° |
| C5 | C6 | H11 | H10 | 119.4° | 120.4° |
| C6 | C5 | C7 | H12 | 52.8° | 60.0° |
| C6 | C5 | C7 | H13 | 172.8° | 180.0° |
| C6 | C5 | C7 | H14 | 67.2° | 60.0° |
| N1 | C6 | C5 | C7 | 76.3° | 70.5° |
| C6 | N1 | C2 | O2 | 24.7° | 5.5° |
| N1 | C6 | C5 | H9 | 167.7° | 169.2° |
| N1 | C6 | H11 | H10 | 119.4° | 120.5° |
| C6 | N1 | C3 | H5 | 61.1° | 64.7° |
| C6 | N1 | C3 | H6 | 179.0° | 174.7° |
| C7 | C5 | N2 | C8 | 110.3° | 115.6° |
| C7 | C5 | C6 | H11 | 163.5° | 49.2° |
| C7 | C5 | C6 | H10 | 43.9° | 169.8° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| N2 | C8 | C9 | O1 | 177.4° | 180.0° |
| N2 | C8 | C9 | O | 15.4° | 8.0° |
| N2 | C8 | C9 | C12 | 169.5° | 172.6° |
| C8 | N2 | C4 | H8 | 0.6° | 5.0° |
| C8 | N2 | C4 | H7 | 120.5° | 115.4° |
| C8 | N2 | C5 | H9 | 6.1° | 4.7° |
| C8 | C9 | O | C12 | 176.0° | 179.5° |
| C8 | C9 | O | C10 | 175.7° | 179.8° |
| C8 | C9 | C12 | C11 | 174.9° | 179.9° |
| C8 | C9 | C12 | H17 | 5.1° | 0.6° |
| C9 | O | C10 | C11 | 0.1° | 0.0° |
| O | C9 | C12 | C11 | 0.6° | 0.5° |
| O | C9 | C8 | O1 | 167.3° | 172.0° |
| C9 | O | C10 | H15 | 179.9° | 179.8° |
| O | C9 | C12 | H17 | 179.4° | 179.9° |
| O | C10 | C11 | H15 | 180.0° | 179.8° |
| O | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | O | C9 | C12 | 0.3° | 0.3° |
| O | C10 | C11 | H16 | 179.5° | 179.7° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | C9 | 0.6° | 0.4° |
| C10 | C11 | C12 | H17 | 179.3° | 179.9° |
| C11 | C12 | C9 | H17 | 180.0° | 179.5° |
| C12 | C11 | C10 | H15 | 179.5° | 179.9° |
| C12 | C9 | C8 | O1 | 7.8° | 7.4° |
| C9 | C12 | C11 | H16 | 179.3° | 179.5° |
| O2 | C2 | N | H4 | 176.3° | 174.9° |
| C1 | C13 | H19 | H20 | 120.0° | 120.0° |
| C1 | C13 | H19 | H18 | 120.0° | 119.9° |
| C1 | C13 | H20 | H18 | 120.0° | 120.0° |
| C13 | C1 | N | H4 | 80.1° | 25.0° |
| C13 | C1 | C | H1 | 57.9° | 60.0° |
| C13 | C1 | C | H2 | 177.9° | 60.0° |
| C13 | C1 | C | H | 62.1° | 180.0° |
| H8 | C4 | C3 | H5 | 60.1° | 49.3° |
| H8 | C4 | C3 | H6 | 59.7° | 71.3° |
| H7 | C4 | C3 | H5 | 180.0° | 169.7° |
| H7 | C4 | C3 | H6 | 60.2° | 49.1° |
| H9 | C5 | C6 | H11 | 47.5° | 71.2° |
| H9 | C5 | C6 | H10 | 72.1° | 49.4° |
| H9 | C5 | C7 | H12 | 63.2° | 60.4° |
| H9 | C5 | C7 | H13 | 56.8° | 59.6° |
| H9 | C5 | C7 | H14 | 176.8° | 179.6° |
| H12 | C7 | H13 | H14 | 120.0° | 120.0° |
| H15 | C10 | C11 | H16 | 0.5° | 0.1° |
| H19 | C13 | H20 | H18 | 120.0° | 120.0° |
| H19 | C13 | C1 | H3 | 60.7° | 180.0° |
| H20 | C13 | C1 | H3 | 59.3° | 60.0° |
| H18 | C13 | C1 | H3 | 179.3° | 60.0° |
| H4 | N | C1 | H3 | 161.7° | 145.0° |
| H1 | C | H2 | H | 120.0° | 120.0° |
| H1 | C | C1 | H3 | 61.4° | 180.0° |
| H2 | C | C1 | H3 | 58.6° | 60.0° |
| H | C | C1 | H3 | 178.6° | 60.0° |
| H16 | C11 | C12 | H17 | 0.7° | 0.0° |
