7WF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O4 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| C1 | S1 | sing | 1.81Å | 1.67Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| S1 | O3 | sing | 1.52Å | 1.63Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 25.96Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | S2 | sing | 1.81Å | 0.00Å | |
| C9 | O5 | sing | 1.43Å | 0.00Å | |
| S2 | O7 | doub | 1.42Å | 0.00Å | |
| S2 | O8 | sing | 1.52Å | 0.00Å | |
| S2 | O6 | doub | 1.42Å | 0.00Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C8 | H7 | sing | 1.09Å | 0.00Å | |
| C8 | H12 | sing | 1.09Å | 0.00Å | |
| C9 | H13 | sing | 1.09Å | 0.00Å | |
| C10 | H19 | sing | 1.09Å | 0.00Å | |
| C10 | H20 | sing | 1.09Å | 0.00Å | |
| O5 | H21 | sing | 0.97Å | 0.00Å | |
| O8 | H22 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N2 | C5 | 112.0° | 110.9° |
| N2 | C6 | C7 | 111.0° | 109.3° |
| N2 | C6 | H10 | 109.1° | 109.5° |
| N2 | C6 | H11 | 109.1° | 109.5° |
| C6 | N2 | C8 | 105.4° | 111.0° |
| N2 | C5 | C4 | 111.7° | 109.4° |
| N2 | C5 | H14 | 108.9° | 109.5° |
| N2 | C5 | H15 | 108.9° | 109.5° |
| C5 | N2 | C8 | 45.3° | 111.0° |
| C6 | C7 | N1 | 110.3° | 109.4° |
| C6 | C7 | H8 | 109.3° | 109.4° |
| C6 | C7 | H9 | 109.3° | 109.5° |
| C7 | C6 | H10 | 109.1° | 109.5° |
| C7 | C6 | H11 | 109.1° | 109.5° |
| C5 | C4 | N1 | 111.2° | 109.4° |
| C4 | C5 | H14 | 108.9° | 109.5° |
| C4 | C5 | H15 | 108.9° | 109.5° |
| C5 | C4 | H16 | 109.0° | 109.5° |
| C5 | C4 | H17 | 109.0° | 109.5° |
| C7 | N1 | C4 | 108.7° | 110.9° |
| C7 | N1 | C3 | 111.1° | 111.0° |
| N1 | C7 | H8 | 109.3° | 109.5° |
| N1 | C7 | H9 | 109.3° | 109.5° |
| C4 | N1 | C3 | 109.4° | 111.0° |
| N1 | C4 | H16 | 109.1° | 109.5° |
| N1 | C4 | H17 | 109.0° | 109.5° |
| N1 | C3 | C2 | 113.9° | 109.5° |
| N1 | C3 | H5 | 108.3° | 109.4° |
| N1 | C3 | H6 | 108.3° | 109.5° |
| C3 | C2 | O4 | 109.9° | 109.4° |
| C3 | C2 | C1 | 110.3° | 109.5° |
| C3 | C2 | H3 | 109.1° | 109.5° |
| C2 | C3 | H5 | 108.3° | 109.4° |
| C2 | C3 | H6 | 108.3° | 109.5° |
| O4 | C2 | C1 | 108.0° | 109.5° |
| O4 | C2 | H3 | 110.5° | 109.5° |
| C2 | O4 | H4 | 109.5° | 114.0° |
| C2 | C1 | S1 | 112.2° | 109.4° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.5° |
| O2 | S1 | C1 | 108.7° | 110.5° |
| O2 | S1 | O1 | 108.7° | 121.1° |
| O2 | S1 | O3 | 111.9° | 104.3° |
| C1 | S1 | O1 | 111.7° | 110.5° |
| C1 | S1 | O3 | 107.6° | 104.4° |
| S1 | C1 | H1 | 108.8° | 109.5° |
| S1 | C1 | H2 | 108.8° | 109.5° |
| O1 | S1 | O3 | 108.2° | 104.3° |
| S1 | O3 | H18 | 109.5° | 113.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.4° | 109.5° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| N2 | C8 | C9 | 90.0° | 109.4° |
| N2 | C8 | H7 | 90.0° | 109.5° |
| N2 | C8 | H12 | 90.0° | 109.5° |
| C8 | C9 | C10 | 90.0° | 109.5° |
| C8 | C9 | O5 | 90.0° | 109.5° |
| C9 | C8 | H7 | 90.0° | 109.4° |
| C9 | C8 | H12 | 90.0° | 109.5° |
| C8 | C9 | H13 | 90.0° | 109.5° |
| C9 | C10 | S2 | 90.0° | 109.5° |
| C10 | C9 | O5 | 90.0° | 109.5° |
| C10 | C9 | H13 | 90.0° | 109.5° |
| C9 | C10 | H19 | 90.0° | 109.4° |
| C9 | C10 | H20 | 90.0° | 109.5° |
| C10 | S2 | O7 | 90.0° | 110.5° |
| C10 | S2 | O8 | 90.0° | 104.4° |
| C10 | S2 | O6 | 90.0° | 110.5° |
| S2 | C10 | H19 | 90.0° | 109.5° |
| S2 | C10 | H20 | 90.0° | 109.5° |
| O5 | C9 | H13 | 90.0° | 109.5° |
| C9 | O5 | H21 | 90.0° | 114.0° |
| O7 | S2 | O8 | 90.0° | 104.3° |
| O7 | S2 | O6 | 90.0° | 121.1° |
| O8 | S2 | O6 | 90.0° | 104.3° |
| S2 | O8 | H22 | 90.0° | 114.0° |
| H7 | C8 | H12 | 90.0° | 109.5° |
| H19 | C10 | H20 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N2 | C5 | C8 | 90.2° | 123.9° |
| N2 | C6 | C7 | H10 | 120.2° | 120.0° |
| N2 | C6 | C7 | H11 | 120.2° | 119.9° |
| C6 | N2 | C5 | C4 | 51.6° | 59.3° |
| N2 | C6 | C7 | N1 | 58.7° | 58.4° |
| N2 | C6 | C7 | H8 | 61.4° | 61.6° |
| N2 | C6 | C7 | H9 | 178.8° | 178.4° |
| N2 | C6 | H10 | H11 | 119.3° | 120.0° |
| C6 | N2 | C5 | H14 | 68.8° | 179.3° |
| C6 | N2 | C5 | H15 | 171.9° | 60.6° |
| C6 | N2 | C8 | C9 | 90.0° | 75.6° |
| C6 | N2 | C8 | H7 | 90.0° | 44.4° |
| C6 | N2 | C8 | H12 | 90.0° | 164.5° |
| C5 | N2 | C6 | C7 | 53.6° | 59.3° |
| N2 | C5 | C4 | H14 | 120.3° | 120.0° |
| N2 | C5 | C4 | H15 | 120.3° | 120.0° |
| N2 | C5 | C4 | N1 | 54.6° | 58.4° |
| C5 | N2 | C6 | H10 | 173.8° | 179.3° |
| C5 | N2 | C6 | H11 | 66.6° | 60.7° |
| N2 | C5 | H14 | H15 | 119.0° | 120.1° |
| N2 | C5 | C4 | H16 | 174.9° | 178.4° |
| N2 | C5 | C4 | H17 | 65.6° | 61.6° |
| C5 | N2 | C8 | C9 | 90.0° | 160.6° |
| C5 | N2 | C8 | H7 | 90.0° | 79.5° |
| C5 | N2 | C8 | H12 | 90.0° | 40.6° |
| C6 | C7 | N1 | H8 | 120.1° | 119.9° |
| C6 | C7 | N1 | H9 | 120.1° | 120.0° |
| C6 | C7 | N1 | C4 | 60.9° | 59.3° |
| C6 | C7 | N1 | C3 | 178.7° | 64.6° |
| C6 | C7 | H8 | H9 | 119.6° | 120.0° |
| C7 | C6 | H10 | H11 | 119.3° | 120.1° |
| C7 | C6 | N2 | C8 | 6.1° | 176.9° |
| C5 | C4 | N1 | C7 | 58.9° | 59.3° |
| C5 | C4 | N1 | H16 | 120.2° | 120.0° |
| C5 | C4 | N1 | H17 | 120.2° | 120.0° |
| C5 | C4 | N1 | C3 | 179.6° | 64.6° |
| C4 | C5 | H14 | H15 | 119.0° | 120.0° |
| C5 | C4 | H16 | H17 | 119.2° | 120.0° |
| C4 | C5 | N2 | C8 | 38.6° | 176.8° |
| C7 | N1 | C4 | C3 | 121.5° | 123.9° |
| C7 | N1 | C3 | C2 | 70.8° | 76.1° |
| C7 | N1 | C3 | H5 | 168.6° | 43.9° |
| C7 | N1 | C3 | H6 | 49.9° | 163.8° |
| N1 | C7 | H8 | H9 | 119.6° | 120.1° |
| N1 | C7 | C6 | H10 | 178.9° | 178.3° |
| N1 | C7 | C6 | H11 | 61.6° | 61.6° |
| C7 | N1 | C4 | H16 | 179.2° | 179.3° |
| C7 | N1 | C4 | H17 | 61.3° | 60.7° |
| C4 | N1 | C3 | C2 | 169.3° | 160.1° |
| C4 | N1 | C3 | H5 | 48.6° | 80.0° |
| C4 | N1 | C3 | H6 | 70.1° | 40.0° |
| C4 | N1 | C7 | H8 | 59.2° | 60.6° |
| C4 | N1 | C7 | H9 | 179.0° | 179.3° |
| N1 | C4 | C5 | H14 | 65.7° | 178.4° |
| N1 | C4 | C5 | H15 | 175.0° | 61.6° |
| N1 | C4 | H16 | H17 | 119.2° | 120.0° |
| N1 | C3 | C2 | H5 | 120.6° | 120.0° |
| N1 | C3 | C2 | H6 | 120.7° | 120.1° |
| N1 | C3 | C2 | O4 | 48.4° | 63.9° |
| N1 | C3 | C2 | C1 | 167.3° | 176.1° |
| N1 | C3 | C2 | H3 | 72.9° | 56.1° |
| N1 | C3 | H5 | H6 | 118.0° | 120.0° |
| C3 | N1 | C7 | H8 | 61.2° | 175.5° |
| C3 | N1 | C7 | H9 | 58.6° | 55.4° |
| C3 | N1 | C4 | H16 | 59.4° | 55.4° |
| C3 | N1 | C4 | H17 | 60.1° | 175.5° |
| C3 | C2 | O4 | C1 | 120.4° | 120.0° |
| C3 | C2 | O4 | H3 | 120.4° | 120.0° |
| C3 | C2 | C1 | H3 | 119.8° | 120.0° |
| C3 | C2 | C1 | S1 | 157.9° | 180.0° |
| C3 | C2 | C1 | H1 | 81.6° | 60.1° |
| C3 | C2 | C1 | H2 | 37.5° | 60.0° |
| C3 | C2 | O4 | H4 | 172.2° | 60.0° |
| C2 | C3 | H5 | H6 | 118.0° | 120.0° |
| O4 | C2 | C1 | H3 | 120.1° | 120.0° |
| O4 | C2 | C1 | S1 | 81.9° | 60.0° |
| O4 | C2 | C1 | H1 | 38.5° | 180.0° |
| O4 | C2 | C1 | H2 | 157.7° | 60.0° |
| O4 | C2 | C3 | H5 | 72.3° | 176.1° |
| O4 | C2 | C3 | H6 | 169.0° | 56.2° |
| C2 | C1 | S1 | O2 | 76.7° | 68.4° |
| C2 | C1 | S1 | H1 | 120.4° | 119.9° |
| C2 | C1 | S1 | H2 | 120.4° | 120.0° |
| C2 | C1 | S1 | O1 | 43.3° | 68.4° |
| C2 | C1 | S1 | O3 | 161.9° | 180.0° |
| C2 | C1 | H1 | H2 | 118.7° | 120.0° |
| C1 | C2 | O4 | H4 | 51.8° | 60.0° |
| C1 | C2 | C3 | H5 | 46.7° | 56.1° |
| C1 | C2 | C3 | H6 | 72.0° | 63.8° |
| O2 | S1 | C1 | O1 | 119.9° | 136.8° |
| O2 | S1 | C1 | O3 | 121.4° | 111.6° |
| O2 | S1 | O1 | O3 | 121.7° | 116.8° |
| O2 | S1 | C1 | H1 | 162.9° | 51.6° |
| O2 | S1 | C1 | H2 | 43.7° | 171.6° |
| O2 | S1 | O3 | H18 | 119.7° | 64.0° |
| C1 | S1 | O1 | O3 | 118.3° | 111.7° |
| S1 | C1 | H1 | H2 | 118.8° | 120.1° |
| S1 | C1 | C2 | H3 | 38.1° | 60.0° |
| C1 | S1 | O3 | H18 | 120.9° | 180.0° |
| O1 | S1 | C1 | H1 | 77.1° | 171.7° |
| O1 | S1 | C1 | H2 | 163.7° | 51.6° |
| O1 | S1 | O3 | H18 | 0.0° | 63.9° |
| O3 | S1 | C1 | H1 | 41.5° | 60.0° |
| O3 | S1 | C1 | H2 | 77.7° | 60.0° |
| H1 | C1 | C2 | H3 | 158.6° | 59.9° |
| H2 | C1 | C2 | H3 | 82.3° | 180.0° |
| H3 | C2 | O4 | H4 | 67.4° | 179.9° |
| H3 | C2 | C3 | H5 | 166.5° | 63.9° |
| H3 | C2 | C3 | H6 | 47.8° | 176.2° |
| H8 | C7 | C6 | H10 | 58.8° | 58.4° |
| H8 | C7 | C6 | H11 | 178.3° | 178.5° |
| H9 | C7 | C6 | H10 | 61.0° | 61.6° |
| H9 | C7 | C6 | H11 | 58.5° | 58.4° |
| H10 | C6 | N2 | C8 | 126.3° | 56.8° |
| H11 | C6 | N2 | C8 | 114.1° | 63.2° |
| H14 | C5 | C4 | H16 | 54.5° | 61.6° |
| H14 | C5 | C4 | H17 | 174.0° | 58.4° |
| H14 | C5 | N2 | C8 | 158.9° | 56.8° |
| H15 | C5 | C4 | H16 | 64.8° | 58.4° |
| H15 | C5 | C4 | H17 | 54.7° | 178.4° |
| H15 | C5 | N2 | C8 | 81.7° | 63.2° |
| N2 | C8 | C9 | H7 | 90.0° | 119.9° |
| N2 | C8 | C9 | H12 | 90.0° | 120.0° |
| N2 | C8 | C9 | C10 | 90.0° | 178.5° |
| N2 | C8 | C9 | O5 | 90.0° | 61.5° |
| N2 | C8 | H7 | H12 | 90.0° | 120.1° |
| N2 | C8 | C9 | H13 | 90.0° | 58.5° |
| C8 | C9 | C10 | O5 | 90.0° | 120.0° |
| C8 | C9 | C10 | H13 | 90.0° | 120.0° |
| C8 | C9 | C10 | S2 | 90.0° | 175.0° |
| C8 | C9 | O5 | H13 | 90.0° | 120.0° |
| C9 | C8 | H7 | H12 | 90.0° | 120.0° |
| C8 | C9 | C10 | H19 | 90.0° | 55.0° |
| C8 | C9 | C10 | H20 | 90.0° | 65.0° |
| C8 | C9 | O5 | H21 | 90.0° | 60.0° |
| C9 | C10 | S2 | H19 | 90.0° | 120.0° |
| C9 | C10 | S2 | H20 | 90.0° | 120.0° |
| C10 | C9 | O5 | H13 | 90.0° | 120.0° |
| C9 | C10 | S2 | O7 | 90.0° | 68.3° |
| C9 | C10 | S2 | O8 | 90.0° | 180.0° |
| C9 | C10 | S2 | O6 | 90.0° | 68.4° |
| C10 | C9 | C8 | H7 | 90.0° | 58.6° |
| C10 | C9 | C8 | H12 | 90.0° | 61.5° |
| C9 | C10 | H19 | H20 | 90.0° | 120.0° |
| C10 | C9 | O5 | H21 | 90.0° | 59.9° |
| S2 | C10 | C9 | O5 | 90.0° | 65.0° |
| C10 | S2 | O7 | O8 | 90.0° | 111.7° |
| C10 | S2 | O7 | O6 | 90.0° | 131.5° |
| C10 | S2 | O8 | O6 | 90.0° | 116.1° |
| S2 | C10 | C9 | H13 | 90.0° | 55.0° |
| S2 | C10 | H19 | H20 | 90.0° | 120.1° |
| C10 | S2 | O8 | H22 | 90.0° | 179.9° |
| O5 | C9 | C8 | H7 | 90.0° | 178.5° |
| O5 | C9 | C8 | H12 | 90.0° | 58.5° |
| O5 | C9 | C10 | H19 | 90.0° | 175.0° |
| O5 | C9 | C10 | H20 | 90.0° | 55.0° |
| O7 | S2 | O8 | O6 | 90.0° | 127.9° |
| O7 | S2 | C10 | H19 | 90.0° | 51.6° |
| O7 | S2 | C10 | H20 | 90.0° | 171.6° |
| O7 | S2 | O8 | H22 | 90.0° | 64.0° |
| O8 | S2 | C10 | H19 | 90.0° | 60.0° |
| O8 | S2 | C10 | H20 | 90.0° | 60.0° |
| O6 | S2 | C10 | H19 | 90.0° | 171.6° |
| O6 | S2 | C10 | H20 | 90.0° | 51.6° |
| O6 | S2 | O8 | H22 | 90.0° | 63.9° |
| H7 | C8 | C9 | H13 | 90.0° | 61.5° |
| H12 | C8 | C9 | H13 | 90.0° | 178.5° |
| H13 | C9 | C10 | H19 | 90.0° | 65.0° |
| H13 | C9 | C10 | H20 | 90.0° | 175.0° |
| H13 | C9 | O5 | H21 | 90.0° | 180.0° |
