ZHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N09 | C08 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.55Å | |
| C08 | C33 | sing | 1.54Å | 1.52Å | |
| C35 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.54Å | 1.51Å | |
| C06 | C34 | sing | 1.51Å | 1.54Å | |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | O04 | sing | 1.36Å | 1.40Å | |
| O04 | S01 | sing | 1.52Å | 1.66Å | |
| S01 | O03 | doub | 1.42Å | 1.51Å | |
| S01 | O02 | doub | 1.42Å | 1.51Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C34 | H5 | sing | 1.09Å | 1.10Å | |
| C35 | H6 | sing | 1.08Å | 1.08Å | |
| C36 | H7 | sing | 1.08Å | 1.08Å | |
| C37 | H8 | sing | 1.08Å | 1.08Å | |
| N09 | H9 | sing | 1.01Å | 1.00Å | |
| N09 | H10 | sing | 1.01Å | 1.00Å | |
| S01 | F1 | sing | 1.61Å | 1.63Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C08 | C07 | 107.2° | 110.3° |
| N09 | C08 | C33 | 106.9° | 110.3° |
| N09 | C08 | H1 | 113.3° | 110.3° |
| C08 | N09 | H9 | 109.5° | 111.0° |
| C08 | N09 | H10 | 109.5° | 111.0° |
| C07 | C08 | C33 | 104.9° | 105.2° |
| C08 | C07 | C35 | 129.8° | 130.4° |
| C08 | C07 | C06 | 109.0° | 109.8° |
| C07 | C08 | H1 | 111.8° | 110.3° |
| C08 | C33 | C34 | 104.5° | 102.4° |
| C33 | C08 | H1 | 112.2° | 110.3° |
| C08 | C33 | H2 | 110.7° | 110.8° |
| C08 | C33 | H3 | 110.7° | 110.9° |
| C07 | C35 | C36 | 118.9° | 120.3° |
| C35 | C07 | C06 | 121.2° | 119.9° |
| C07 | C35 | H6 | 120.5° | 119.9° |
| C35 | C36 | C37 | 119.9° | 120.0° |
| C36 | C35 | H6 | 120.5° | 119.8° |
| C35 | C36 | H7 | 120.0° | 120.0° |
| C07 | C06 | C34 | 108.6° | 109.8° |
| C07 | C06 | C05 | 119.8° | 119.9° |
| C36 | C37 | C05 | 120.9° | 119.9° |
| C37 | C36 | H7 | 120.0° | 120.0° |
| C36 | C37 | H8 | 119.5° | 120.1° |
| C33 | C34 | C06 | 105.9° | 105.2° |
| C34 | C33 | H2 | 110.7° | 110.8° |
| C34 | C33 | H3 | 110.7° | 110.8° |
| C33 | C34 | H4 | 110.4° | 110.3° |
| C33 | C34 | H5 | 110.4° | 110.3° |
| C34 | C06 | C05 | 131.6° | 130.3° |
| C06 | C34 | H4 | 110.4° | 110.3° |
| C06 | C34 | H5 | 110.4° | 110.3° |
| C06 | C05 | C37 | 119.2° | 120.0° |
| C06 | C05 | O04 | 119.9° | 120.0° |
| C37 | C05 | O04 | 120.8° | 119.9° |
| C05 | C37 | H8 | 119.5° | 120.0° |
| C05 | O04 | S01 | 118.8° | 114.0° |
| O04 | S01 | O03 | 110.9° | 106.4° |
| O04 | S01 | O02 | 111.6° | 106.4° |
| O04 | S01 | F1 | 124.5° | 107.2° |
| O03 | S01 | O02 | 100.2° | 123.2° |
| O03 | S01 | F1 | 113.6° | 106.4° |
| O02 | S01 | F1 | 91.3° | 106.4° |
| H2 | C33 | H3 | 109.5° | 110.8° |
| H4 | C34 | H5 | 109.4° | 110.3° |
| H9 | N09 | H10 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C08 | C07 | C33 | 113.4° | 119.0° |
| N09 | C08 | C07 | H1 | 124.7° | 122.1° |
| N09 | C08 | C33 | H1 | 124.8° | 122.1° |
| N09 | C08 | C07 | C35 | 82.4° | 78.2° |
| N09 | C08 | C07 | C06 | 96.8° | 101.8° |
| N09 | C08 | C33 | C34 | 88.0° | 92.6° |
| N09 | C08 | C33 | H2 | 31.2° | 25.6° |
| N09 | C08 | C33 | H3 | 152.8° | 149.1° |
| C08 | N09 | H9 | H10 | 120.0° | 124.0° |
| C07 | C08 | C33 | H1 | 121.6° | 118.9° |
| C08 | C07 | C35 | C06 | 179.2° | 180.0° |
| C08 | C07 | C35 | C36 | 179.5° | 180.0° |
| C07 | C08 | C33 | C34 | 25.6° | 26.3° |
| C08 | C07 | C06 | C34 | 0.6° | 0.0° |
| C08 | C07 | C06 | C05 | 179.4° | 180.0° |
| C07 | C08 | C33 | H2 | 144.8° | 144.6° |
| C07 | C08 | C33 | H3 | 93.6° | 91.9° |
| C08 | C07 | C35 | H6 | 0.5° | 0.1° |
| C07 | C08 | N09 | H9 | 180.0° | 61.4° |
| C07 | C08 | N09 | H10 | 60.0° | 174.6° |
| C33 | C08 | C07 | C35 | 164.1° | 162.8° |
| C33 | C08 | C07 | C06 | 16.6° | 17.2° |
| C08 | C33 | C34 | H2 | 119.2° | 118.2° |
| C08 | C33 | C34 | H3 | 119.2° | 118.3° |
| C08 | C33 | C34 | C06 | 25.6° | 26.3° |
| C08 | C33 | H2 | H3 | 122.3° | 123.5° |
| C08 | C33 | C34 | H4 | 93.9° | 145.3° |
| C08 | C33 | C34 | H5 | 145.0° | 92.6° |
| C33 | C08 | N09 | H9 | 67.9° | 177.2° |
| C33 | C08 | N09 | H10 | 52.1° | 58.8° |
| C07 | C35 | C36 | H6 | 180.0° | 179.9° |
| C07 | C35 | C36 | C37 | 0.2° | 0.3° |
| C35 | C07 | C06 | C34 | 179.9° | 180.0° |
| C35 | C07 | C06 | C05 | 0.1° | 0.0° |
| C35 | C07 | C08 | H1 | 42.3° | 43.9° |
| C07 | C35 | C36 | H7 | 179.8° | 180.0° |
| C36 | C35 | C07 | C06 | 0.3° | 0.0° |
| C35 | C36 | C37 | H7 | 180.0° | 179.7° |
| C35 | C36 | C37 | C05 | 0.2° | 0.6° |
| C35 | C36 | C37 | H8 | 179.8° | 180.0° |
| C07 | C06 | C34 | C33 | 15.8° | 17.2° |
| C07 | C06 | C34 | C05 | 180.0° | 180.0° |
| C07 | C06 | C05 | C37 | 0.3° | 0.2° |
| C07 | C06 | C05 | O04 | 179.4° | 180.0° |
| C06 | C07 | C08 | H1 | 138.4° | 136.1° |
| C07 | C06 | C34 | H4 | 103.6° | 136.2° |
| C07 | C06 | C34 | H5 | 135.3° | 101.7° |
| C06 | C07 | C35 | H6 | 179.7° | 179.9° |
| C36 | C37 | C05 | C06 | 0.4° | 0.5° |
| C36 | C37 | C05 | H8 | 180.0° | 179.5° |
| C36 | C37 | C05 | O04 | 179.5° | 179.7° |
| C37 | C36 | C35 | H6 | 179.8° | 179.8° |
| C33 | C34 | C06 | H4 | 119.4° | 119.0° |
| C33 | C34 | C06 | H5 | 119.4° | 118.9° |
| C33 | C34 | C06 | C05 | 164.2° | 162.8° |
| C34 | C33 | C08 | H1 | 147.2° | 145.3° |
| C34 | C33 | H2 | H3 | 122.3° | 123.5° |
| C33 | C34 | H4 | H5 | 121.7° | 122.1° |
| C34 | C06 | C05 | C37 | 179.7° | 179.7° |
| C34 | C06 | C05 | O04 | 0.6° | 0.0° |
| C06 | C34 | C33 | H2 | 144.7° | 144.5° |
| C06 | C34 | C33 | H3 | 93.7° | 91.9° |
| C06 | C34 | H4 | H5 | 121.7° | 122.1° |
| C06 | C05 | C37 | O04 | 179.1° | 179.8° |
| C06 | C05 | O04 | S01 | 113.1° | 90.0° |
| C05 | C06 | C34 | H4 | 76.4° | 43.9° |
| C05 | C06 | C34 | H5 | 44.7° | 78.3° |
| C06 | C05 | C37 | H8 | 179.6° | 180.0° |
| C37 | C05 | O04 | S01 | 67.8° | 90.3° |
| C05 | C37 | C36 | H7 | 179.8° | 179.8° |
| C05 | O04 | S01 | O03 | 90.7° | 165.0° |
| C05 | O04 | S01 | O02 | 158.5° | 32.1° |
| O04 | C05 | C37 | H8 | 0.5° | 0.3° |
| C05 | O04 | S01 | F1 | 50.9° | 81.4° |
| O04 | S01 | O03 | O02 | 118.0° | 122.9° |
| O04 | S01 | O03 | F1 | 146.1° | 114.1° |
| O04 | S01 | O02 | F1 | 128.2° | 114.1° |
| O03 | S01 | O02 | F1 | 114.3° | 123.0° |
| H1 | C08 | C33 | H2 | 93.6° | 96.5° |
| H1 | C08 | C33 | H3 | 28.0° | 27.0° |
| H1 | C08 | N09 | H9 | 56.2° | 60.7° |
| H1 | C08 | N09 | H10 | 176.2° | 63.3° |
| H2 | C33 | C34 | H4 | 25.3° | 96.5° |
| H2 | C33 | C34 | H5 | 95.8° | 25.6° |
| H3 | C33 | C34 | H4 | 146.9° | 27.0° |
| H3 | C33 | C34 | H5 | 25.8° | 149.2° |
| H6 | C35 | C36 | H7 | 0.2° | 0.1° |
| H7 | C36 | C37 | H8 | 0.2° | 0.3° |
