ZQJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.22Å | 1.19Å | |
| C11 | C10 | sing | 1.41Å | 1.51Å | |
| C11 | N02 | sing | 1.35Å | 1.50Å | |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | doub | 1.37Å | 1.48Å | |
| N02 | N03 | sing | 1.28Å | 1.47Å | |
| C09 | C08 | sing | 1.50Å | 1.46Å | |
| C09 | C04 | sing | 1.40Å | 1.52Å | |
| N03 | C04 | doub | 1.31Å | 1.49Å | |
| C08 | N07 | sing | 1.46Å | 1.61Å | |
| C04 | C05 | sing | 1.51Å | 1.42Å | |
| N07 | C06 | sing | 1.47Å | 1.30Å | |
| C05 | C06 | sing | 1.53Å | 1.65Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| N07 | H9 | sing | 1.01Å | 1.00Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 120.3° | 120.5° |
| O12 | C11 | N02 | 119.6° | 120.4° |
| C10 | C11 | N02 | 120.1° | 119.1° |
| C11 | C10 | C09 | 119.4° | 117.8° |
| C11 | C10 | H1 | 120.3° | 121.0° |
| C11 | N02 | C01 | 120.0° | 119.2° |
| C11 | N02 | N03 | 120.2° | 121.7° |
| C01 | N02 | N03 | 119.8° | 119.1° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.4° | 109.5° |
| C10 | C09 | C08 | 121.2° | 119.3° |
| C10 | C09 | C04 | 119.9° | 118.7° |
| C09 | C10 | H1 | 120.3° | 121.1° |
| N02 | N03 | C04 | 120.7° | 122.7° |
| C08 | C09 | C04 | 118.8° | 122.0° |
| C09 | C08 | N07 | 109.2° | 110.5° |
| C09 | C08 | H11 | 109.6° | 110.0° |
| C09 | C08 | H12 | 109.5° | 108.3° |
| C09 | C04 | N03 | 119.7° | 120.0° |
| C09 | C04 | C05 | 120.7° | 121.1° |
| N03 | C04 | C05 | 119.6° | 118.9° |
| C08 | N07 | C06 | 113.1° | 111.0° |
| C08 | N07 | H9 | 108.5° | 111.2° |
| N07 | C08 | H11 | 109.5° | 109.3° |
| N07 | C08 | H12 | 109.5° | 109.4° |
| C04 | C05 | C06 | 115.0° | 109.9° |
| C04 | C05 | H5 | 108.0° | 109.4° |
| C04 | C05 | H6 | 108.1° | 109.4° |
| N07 | C06 | C05 | 115.7° | 108.7° |
| N07 | C06 | H7 | 107.9° | 109.6° |
| N07 | C06 | H8 | 107.9° | 109.7° |
| C06 | N07 | H9 | 108.6° | 110.9° |
| C06 | C05 | H5 | 108.1° | 109.5° |
| C06 | C05 | H6 | 108.1° | 109.4° |
| C05 | C06 | H7 | 107.9° | 109.6° |
| C05 | C06 | H8 | 107.9° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.3° |
| H7 | C06 | H8 | 109.5° | 109.6° |
| H11 | C08 | H12 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | N02 | 179.4° | 180.0° |
| O12 | C11 | N02 | C01 | 0.7° | 0.3° |
| O12 | C11 | C10 | C09 | 179.3° | 179.8° |
| O12 | C11 | N02 | N03 | 178.7° | 179.7° |
| O12 | C11 | C10 | H1 | 0.7° | 0.2° |
| C10 | C11 | N02 | C01 | 178.6° | 179.6° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | N02 | N03 | 0.7° | 0.3° |
| C11 | C10 | C09 | C08 | 177.1° | 179.9° |
| C11 | C10 | C09 | C04 | 0.2° | 0.1° |
| C11 | N02 | C01 | N03 | 177.9° | 180.0° |
| N02 | C11 | C10 | C09 | 0.0° | 0.2° |
| C11 | N02 | N03 | C04 | 1.2° | 0.4° |
| N02 | C11 | C10 | H1 | 180.0° | 179.9° |
| C11 | N02 | C01 | H2 | 177.9° | 180.0° |
| C11 | N02 | C01 | H3 | 57.9° | 60.0° |
| C11 | N02 | C01 | H4 | 62.1° | 60.0° |
| C01 | N02 | N03 | C04 | 179.1° | 179.6° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H4 | 119.9° | 120.0° |
| C10 | C09 | C08 | C04 | 177.4° | 179.9° |
| C10 | C09 | C04 | N03 | 0.3° | 0.2° |
| C10 | C09 | C08 | N07 | 144.8° | 163.6° |
| C10 | C09 | C04 | C05 | 177.9° | 179.6° |
| C10 | C09 | C08 | H11 | 24.8° | 42.7° |
| C10 | C09 | C08 | H12 | 95.3° | 76.7° |
| N02 | N03 | C04 | C09 | 1.0° | 0.3° |
| N02 | N03 | C04 | C05 | 177.2° | 179.7° |
| N03 | N02 | C01 | H2 | 0.0° | 0.0° |
| N03 | N02 | C01 | H3 | 120.0° | 120.0° |
| N03 | N02 | C01 | H4 | 120.0° | 120.0° |
| C08 | C09 | C04 | N03 | 177.7° | 179.9° |
| C09 | C08 | N07 | H11 | 120.0° | 121.3° |
| C09 | C08 | N07 | H12 | 119.9° | 119.1° |
| C08 | C09 | C04 | C05 | 0.5° | 0.5° |
| C09 | C08 | N07 | C06 | 61.0° | 51.5° |
| C08 | C09 | C10 | H1 | 2.8° | 0.3° |
| C09 | C08 | N07 | H9 | 59.5° | 175.4° |
| C09 | C08 | H11 | H12 | 120.1° | 118.8° |
| C09 | C04 | N03 | C05 | 178.2° | 179.4° |
| C04 | C09 | C08 | N07 | 32.6° | 16.5° |
| C09 | C04 | C05 | C06 | 12.4° | 17.7° |
| C04 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C04 | C05 | H5 | 108.4° | 102.5° |
| C09 | C04 | C05 | H6 | 133.2° | 137.8° |
| C04 | C09 | C08 | H11 | 152.6° | 137.4° |
| C04 | C09 | C08 | H12 | 87.4° | 103.3° |
| N03 | C04 | C05 | C06 | 165.8° | 162.9° |
| N03 | C04 | C05 | H5 | 73.4° | 76.9° |
| N03 | C04 | C05 | H6 | 45.0° | 42.8° |
| C08 | N07 | C06 | H9 | 120.5° | 124.1° |
| C08 | N07 | C06 | C05 | 51.1° | 71.2° |
| C08 | N07 | C06 | H7 | 172.0° | 169.0° |
| C08 | N07 | C06 | H8 | 69.8° | 48.6° |
| N07 | C08 | H11 | H12 | 120.1° | 119.7° |
| C04 | C05 | C06 | N07 | 15.5° | 50.9° |
| C04 | C05 | C06 | H5 | 120.8° | 120.1° |
| C04 | C05 | C06 | H6 | 120.8° | 120.1° |
| C04 | C05 | H5 | H6 | 117.5° | 119.7° |
| C04 | C05 | C06 | H7 | 136.3° | 170.7° |
| C04 | C05 | C06 | H8 | 105.5° | 69.0° |
| N07 | C06 | C05 | H7 | 120.9° | 119.8° |
| N07 | C06 | C05 | H8 | 120.9° | 119.9° |
| N07 | C06 | C05 | H5 | 136.2° | 69.2° |
| N07 | C06 | C05 | H6 | 105.4° | 171.0° |
| N07 | C06 | H7 | H8 | 117.2° | 120.5° |
| C06 | N07 | C08 | H11 | 179.0° | 172.7° |
| C06 | N07 | C08 | H12 | 58.9° | 67.7° |
| C06 | C05 | H5 | H6 | 117.5° | 119.9° |
| C05 | C06 | H7 | H8 | 117.2° | 120.3° |
| C05 | C06 | N07 | H9 | 69.4° | 164.7° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C05 | C06 | H7 | 102.9° | 50.6° |
| H5 | C05 | C06 | H8 | 15.3° | 170.9° |
| H6 | C05 | C06 | H7 | 15.5° | 69.2° |
| H6 | C05 | C06 | H8 | 133.7° | 51.1° |
| H7 | C06 | N07 | H9 | 51.5° | 45.0° |
| H8 | C06 | N07 | H9 | 169.6° | 75.5° |
| H9 | N07 | C08 | H11 | 60.5° | 63.4° |
| H9 | N07 | C08 | H12 | 179.4° | 56.3° |






