ZBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | S10 | sing | 1.71Å | 1.74Å | Aromatic |
| C11 | N13 | doub | 1.29Å | 1.33Å | Aromatic |
| S10 | C09 | sing | 1.76Å | 1.74Å | Aromatic |
| O04 | C03 | doub | 1.21Å | 1.19Å | |
| N13 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.46Å | |
| C03 | C05 | sing | 1.51Å | 1.53Å | |
| C09 | C14 | doub | 1.35Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C14 | C05 | sing | 1.52Å | 1.56Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 0.97Å | 1.00Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | S10 | 125.2° | 124.9° |
| C12 | C11 | N13 | 128.5° | 124.9° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| S10 | C11 | N13 | 106.4° | 110.1° |
| C11 | S10 | C09 | 95.0° | 90.3° |
| C11 | N13 | C14 | 118.0° | 117.8° |
| S10 | C09 | C14 | 105.7° | 108.5° |
| S10 | C09 | C08 | 132.2° | 126.2° |
| O04 | C03 | N02 | 118.5° | 120.0° |
| O04 | C03 | C05 | 118.9° | 120.0° |
| N13 | C14 | C09 | 114.9° | 113.2° |
| N13 | C14 | C05 | 125.0° | 124.2° |
| N02 | C03 | C05 | 122.6° | 120.0° |
| C03 | N02 | C01 | 123.9° | 120.0° |
| C03 | N02 | H4 | 118.0° | 120.0° |
| C03 | C05 | C14 | 110.7° | 109.6° |
| C03 | C05 | C06 | 107.9° | 109.6° |
| C03 | C05 | H5 | 107.3° | 109.6° |
| C14 | C09 | C08 | 122.1° | 125.2° |
| C09 | C14 | C05 | 120.1° | 122.6° |
| C09 | C08 | C07 | 111.2° | 108.6° |
| C09 | C08 | H10 | 109.1° | 109.6° |
| C09 | C08 | H11 | 109.0° | 109.8° |
| C14 | C05 | C06 | 116.2° | 108.7° |
| C14 | C05 | H5 | 107.0° | 109.7° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C01 | N02 | H4 | 118.0° | 120.0° |
| C08 | C07 | C06 | 112.9° | 109.0° |
| C08 | C07 | H8 | 108.6° | 109.5° |
| C08 | C07 | H9 | 108.6° | 109.6° |
| C07 | C08 | H10 | 109.0° | 109.6° |
| C07 | C08 | H11 | 109.1° | 109.6° |
| C07 | C06 | C05 | 116.5° | 109.4° |
| C07 | C06 | H6 | 107.7° | 109.5° |
| C07 | C06 | H7 | 107.7° | 109.5° |
| C06 | C07 | H8 | 108.6° | 109.6° |
| C06 | C07 | H9 | 108.6° | 109.6° |
| C06 | C05 | H5 | 107.3° | 109.6° |
| C05 | C06 | H6 | 107.7° | 109.5° |
| C05 | C06 | H7 | 107.7° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.6° |
| H10 | C08 | H11 | 109.5° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | S10 | N13 | 179.6° | 180.0° |
| C12 | C11 | S10 | C09 | 179.7° | 180.0° |
| C12 | C11 | N13 | C14 | 179.0° | 180.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| S10 | C11 | N13 | C14 | 1.4° | 0.0° |
| C11 | S10 | C09 | C14 | 0.1° | 0.1° |
| C11 | S10 | C09 | C08 | 178.9° | 179.9° |
| S10 | C11 | C12 | H12 | 0.0° | 0.0° |
| S10 | C11 | C12 | H13 | 120.0° | 119.9° |
| S10 | C11 | C12 | H14 | 120.0° | 120.1° |
| N13 | C11 | S10 | C09 | 0.7° | 0.0° |
| C11 | N13 | C14 | C09 | 1.6° | 0.0° |
| C11 | N13 | C14 | C05 | 179.6° | 179.9° |
| N13 | C11 | C12 | H12 | 179.5° | 180.0° |
| N13 | C11 | C12 | H13 | 60.4° | 60.0° |
| N13 | C11 | C12 | H14 | 59.5° | 60.0° |
| S10 | C09 | C14 | N13 | 0.9° | 0.1° |
| S10 | C09 | C14 | C08 | 179.0° | 180.0° |
| S10 | C09 | C14 | C05 | 179.8° | 179.9° |
| S10 | C09 | C08 | C07 | 148.5° | 164.0° |
| S10 | C09 | C08 | H10 | 28.2° | 44.2° |
| S10 | C09 | C08 | H11 | 91.3° | 76.2° |
| O04 | C03 | N02 | C05 | 178.6° | 179.9° |
| O04 | C03 | C05 | C14 | 77.6° | 119.3° |
| O04 | C03 | N02 | C01 | 179.9° | 0.1° |
| O04 | C03 | C05 | C06 | 50.6° | 0.0° |
| O04 | C03 | N02 | H4 | 0.0° | 180.0° |
| O04 | C03 | C05 | H5 | 166.0° | 120.3° |
| N13 | C14 | C05 | C03 | 47.4° | 42.6° |
| N13 | C14 | C09 | C05 | 178.9° | 179.9° |
| N13 | C14 | C09 | C08 | 179.9° | 179.9° |
| N13 | C14 | C05 | C06 | 171.0° | 162.4° |
| N13 | C14 | C05 | H5 | 69.2° | 77.7° |
| N02 | C03 | C05 | C14 | 103.8° | 60.8° |
| C03 | N02 | C01 | H4 | 180.0° | 179.9° |
| N02 | C03 | C05 | C06 | 128.0° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 179.9° |
| C03 | N02 | C01 | H2 | 60.0° | 59.9° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | C05 | H5 | 12.6° | 59.6° |
| C03 | C05 | C14 | C09 | 133.8° | 137.3° |
| C03 | C05 | C14 | C06 | 123.5° | 119.8° |
| C03 | C05 | C14 | H5 | 116.6° | 120.4° |
| C05 | C03 | N02 | C01 | 1.4° | 180.0° |
| C03 | C05 | C06 | C07 | 111.6° | 171.0° |
| C03 | C05 | C06 | H5 | 115.4° | 120.3° |
| C05 | C03 | N02 | H4 | 178.6° | 0.1° |
| C03 | C05 | C06 | H6 | 9.4° | 69.0° |
| C03 | C05 | C06 | H7 | 127.3° | 51.0° |
| C14 | C09 | C08 | C07 | 30.2° | 16.0° |
| C09 | C14 | C05 | C06 | 10.3° | 17.5° |
| C09 | C14 | C05 | H5 | 109.6° | 102.3° |
| C14 | C09 | C08 | H10 | 150.5° | 135.8° |
| C14 | C09 | C08 | H11 | 90.1° | 103.8° |
| C08 | C09 | C14 | C05 | 1.3° | 0.1° |
| C09 | C08 | C07 | H10 | 120.3° | 119.7° |
| C09 | C08 | C07 | H11 | 120.3° | 120.0° |
| C09 | C08 | C07 | C06 | 52.4° | 49.3° |
| C09 | C08 | C07 | H8 | 68.1° | 70.6° |
| C09 | C08 | C07 | H9 | 172.9° | 169.2° |
| C09 | C08 | H10 | H11 | 119.2° | 120.5° |
| C14 | C05 | C06 | C07 | 13.4° | 51.2° |
| C14 | C05 | C06 | H5 | 119.7° | 119.9° |
| C14 | C05 | C06 | H6 | 134.4° | 171.2° |
| C14 | C05 | C06 | H7 | 107.7° | 68.8° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C08 | C07 | C06 | H8 | 120.5° | 119.8° |
| C08 | C07 | C06 | H9 | 120.5° | 119.9° |
| C08 | C07 | C06 | C05 | 45.2° | 70.4° |
| C08 | C07 | C06 | H6 | 166.2° | 169.7° |
| C08 | C07 | C06 | H7 | 75.8° | 49.6° |
| C08 | C07 | H8 | H9 | 118.4° | 120.3° |
| C07 | C08 | H10 | H11 | 119.2° | 120.3° |
| C07 | C06 | C05 | H6 | 121.0° | 120.0° |
| C07 | C06 | C05 | H7 | 121.0° | 120.0° |
| C07 | C06 | C05 | H5 | 133.0° | 68.7° |
| C07 | C06 | H6 | H7 | 116.8° | 120.0° |
| C06 | C07 | H8 | H9 | 118.5° | 120.2° |
| C06 | C07 | C08 | H10 | 172.7° | 169.0° |
| C06 | C07 | C08 | H11 | 67.8° | 70.7° |
| C05 | C06 | H6 | H7 | 116.8° | 120.0° |
| C05 | C06 | C07 | H8 | 75.3° | 49.5° |
| C05 | C06 | C07 | H9 | 165.7° | 169.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H4 | 0.0° | 0.0° |
| H2 | C01 | N02 | H4 | 120.0° | 120.0° |
| H3 | C01 | N02 | H4 | 120.0° | 120.0° |
| H5 | C05 | C06 | H6 | 106.0° | 51.3° |
| H5 | C05 | C06 | H7 | 12.0° | 171.3° |
| H6 | C06 | C07 | H8 | 45.7° | 70.5° |
| H6 | C06 | C07 | H9 | 73.3° | 49.7° |
| H7 | C06 | C07 | H8 | 163.7° | 169.5° |
| H7 | C06 | C07 | H9 | 44.7° | 70.3° |
| H8 | C07 | C08 | H10 | 52.2° | 49.2° |
| H8 | C07 | C08 | H11 | 171.6° | 169.5° |
| H9 | C07 | C08 | H10 | 66.8° | 71.1° |
| H9 | C07 | C08 | H11 | 52.7° | 49.2° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
