PZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C8 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | sing | 1.55Å | 1.48Å | |
| C8 | C7 | sing | 1.54Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O2 | sing | 1.44Å | 1.43Å | |
| C10 | O5 | sing | 1.43Å | 1.41Å | |
| O3 | C7 | sing | 1.43Å | 1.44Å | |
| O6 | P1 | doub | 1.48Å | 1.61Å | |
| C12 | N6 | sing | 1.35Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| N6 | N7 | sing | 1.40Å | 1.37Å | Aromatic |
| O2 | C6 | sing | 1.44Å | 1.46Å | |
| O5 | P1 | sing | 1.61Å | 1.67Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| P1 | C11 | sing | 1.81Å | 1.94Å | |
| P1 | O7 | sing | 1.61Å | 1.55Å | |
| C11 | C13 | sing | 1.40Å | 1.36Å | Aromatic |
| N7 | C13 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| N5 | C3 | sing | 1.37Å | 1.31Å | Aromatic |
| N5 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C3 | sing | 1.34Å | 1.36Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N2 | C2 | sing | 1.37Å | 1.30Å | |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| C4 | N4 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.37Å | |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C8 | C9 | 101.2° | 110.5° |
| O4 | C8 | C7 | 105.2° | 110.6° |
| O4 | C8 | H8 | 114.2° | 110.6° |
| C8 | O4 | H9 | 109.5° | 114.0° |
| C9 | C8 | C7 | 109.4° | 104.0° |
| C8 | C9 | C10 | 108.6° | 110.3° |
| C8 | C9 | O2 | 105.5° | 104.8° |
| C9 | C8 | H8 | 113.0° | 110.5° |
| C8 | C9 | H10 | 107.8° | 110.4° |
| C8 | C7 | O3 | 104.5° | 110.6° |
| C8 | C7 | C6 | 103.5° | 104.1° |
| C8 | C7 | H6 | 112.8° | 110.5° |
| C7 | C8 | H8 | 112.9° | 110.5° |
| C10 | C9 | O2 | 118.9° | 110.4° |
| C9 | C10 | O5 | 109.9° | 109.4° |
| C10 | C9 | H10 | 107.2° | 110.3° |
| C9 | C10 | H11 | 109.4° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.4° |
| C9 | O2 | C6 | 109.2° | 105.3° |
| O2 | C9 | H10 | 108.3° | 110.5° |
| C10 | O5 | P1 | 127.4° | 123.0° |
| O5 | C10 | H11 | 109.4° | 109.5° |
| O5 | C10 | H12 | 109.4° | 109.5° |
| O3 | C7 | C6 | 109.7° | 110.5° |
| O3 | C7 | H6 | 113.5° | 110.4° |
| C7 | O3 | H7 | 109.5° | 114.0° |
| O6 | P1 | O5 | 118.0° | 109.5° |
| O6 | P1 | C11 | 100.6° | 109.5° |
| O6 | P1 | O7 | 117.3° | 109.5° |
| N6 | C12 | C11 | 107.0° | 107.7° |
| C12 | N6 | N7 | 109.5° | 107.9° |
| N6 | C12 | H14 | 126.5° | 126.1° |
| C12 | N6 | H15 | 125.3° | 126.0° |
| C12 | C11 | P1 | 120.8° | 126.0° |
| C12 | C11 | C13 | 109.0° | 107.9° |
| C11 | C12 | H14 | 126.5° | 126.1° |
| C7 | C6 | O2 | 104.1° | 104.9° |
| C7 | C6 | N5 | 113.9° | 110.4° |
| C7 | C6 | H5 | 111.4° | 110.3° |
| C6 | C7 | H6 | 112.1° | 110.5° |
| N6 | N7 | C13 | 106.9° | 108.3° |
| N7 | N6 | H15 | 125.3° | 126.1° |
| O2 | C6 | N5 | 102.1° | 110.4° |
| O2 | C6 | H5 | 112.4° | 110.4° |
| O5 | P1 | C11 | 97.9° | 109.5° |
| O5 | P1 | O7 | 95.4° | 109.5° |
| C6 | N5 | C3 | 126.3° | 126.2° |
| C6 | N5 | C5 | 125.6° | 126.3° |
| N5 | C6 | H5 | 112.3° | 110.4° |
| C11 | P1 | O7 | 127.0° | 109.5° |
| P1 | C11 | C13 | 130.1° | 126.0° |
| P1 | O7 | H13 | 109.5° | 114.1° |
| C11 | C13 | N7 | 107.6° | 108.2° |
| C11 | C13 | C14 | 126.8° | 125.9° |
| N7 | C13 | C14 | 125.5° | 125.9° |
| C13 | C14 | H16 | 109.5° | 109.4° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C3 | N5 | C5 | 108.1° | 107.5° |
| N5 | C3 | N3 | 130.1° | 134.2° |
| N5 | C3 | C4 | 107.4° | 106.1° |
| N5 | C5 | N4 | 109.1° | 109.9° |
| N5 | C5 | H4 | 125.5° | 125.1° |
| C3 | N3 | C2 | 118.0° | 121.2° |
| N3 | C3 | C4 | 122.4° | 119.7° |
| N3 | C2 | N2 | 121.2° | 119.1° |
| N3 | C2 | N1 | 122.1° | 121.9° |
| C3 | C4 | N4 | 107.6° | 107.2° |
| C3 | C4 | C1 | 118.5° | 118.6° |
| C5 | N4 | C4 | 107.8° | 109.3° |
| N4 | C5 | H4 | 125.4° | 125.1° |
| N2 | C2 | N1 | 116.7° | 119.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N1 | C1 | 119.1° | 120.3° |
| C2 | N1 | H1 | 120.4° | 119.9° |
| N4 | C4 | C1 | 134.0° | 134.2° |
| C4 | C1 | N1 | 119.8° | 118.4° |
| C4 | C1 | O1 | 125.4° | 120.8° |
| N1 | C1 | O1 | 114.5° | 120.8° |
| C1 | N1 | H1 | 120.5° | 119.8° |
| H2 | N2 | H3 | 120.0° | 120.0° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C8 | C9 | C7 | 110.7° | 118.7° |
| O4 | C8 | C9 | H8 | 122.6° | 122.7° |
| O4 | C8 | C7 | H8 | 125.2° | 122.8° |
| O4 | C8 | C9 | C10 | 119.9° | 98.5° |
| O4 | C8 | C9 | O2 | 111.6° | 142.6° |
| O4 | C8 | C7 | O3 | 22.9° | 0.1° |
| O4 | C8 | C7 | C6 | 91.9° | 118.7° |
| O4 | C8 | C7 | H6 | 146.7° | 122.7° |
| O4 | C8 | C9 | H10 | 4.0° | 23.7° |
| C9 | C8 | C7 | H8 | 126.8° | 118.6° |
| C8 | C9 | C10 | O2 | 120.6° | 115.4° |
| C8 | C9 | C10 | H10 | 116.3° | 122.2° |
| C8 | C9 | O2 | H10 | 115.2° | 118.9° |
| C8 | C9 | C10 | O5 | 68.1° | 175.0° |
| C9 | C8 | C7 | O3 | 131.0° | 118.7° |
| C9 | C8 | C7 | C6 | 16.2° | 0.0° |
| C8 | C9 | O2 | C6 | 18.9° | 40.5° |
| C9 | C8 | C7 | H6 | 105.2° | 118.7° |
| C9 | C8 | O4 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H11 | 171.8° | 55.0° |
| C8 | C9 | C10 | H12 | 52.0° | 65.0° |
| C7 | C8 | C9 | C10 | 129.4° | 142.8° |
| C7 | C8 | C9 | O2 | 0.9° | 24.0° |
| C8 | C7 | O3 | C6 | 110.4° | 114.8° |
| C8 | C7 | O3 | H6 | 123.3° | 122.7° |
| C8 | C7 | C6 | H6 | 121.9° | 118.7° |
| C8 | C7 | C6 | O2 | 26.7° | 23.9° |
| C8 | C7 | C6 | N5 | 137.1° | 142.8° |
| C8 | C7 | C6 | H5 | 94.7° | 95.0° |
| C8 | C7 | O3 | H7 | 180.0° | 65.2° |
| C7 | C8 | O4 | H9 | 66.1° | 65.4° |
| C7 | C8 | C9 | H10 | 114.7° | 95.0° |
| C10 | C9 | O2 | H10 | 122.6° | 122.3° |
| C9 | C10 | O5 | H11 | 120.1° | 120.0° |
| C9 | C10 | O5 | H12 | 120.1° | 119.9° |
| C10 | C9 | O2 | C6 | 141.0° | 159.3° |
| C9 | C10 | O5 | P1 | 164.4° | 180.0° |
| C10 | C9 | C8 | H8 | 2.7° | 24.2° |
| C9 | C10 | H11 | H12 | 119.8° | 120.0° |
| O2 | C9 | C10 | O5 | 52.5° | 69.6° |
| C9 | O2 | C6 | C7 | 28.9° | 40.4° |
| C9 | O2 | C6 | N5 | 147.6° | 159.3° |
| C9 | O2 | C6 | H5 | 91.9° | 78.4° |
| O2 | C9 | C8 | H8 | 125.9° | 94.6° |
| O2 | C9 | C10 | H11 | 67.6° | 170.4° |
| O2 | C9 | C10 | H12 | 172.6° | 50.3° |
| C10 | O5 | P1 | O6 | 5.0° | 55.0° |
| C10 | O5 | P1 | C11 | 111.6° | 175.0° |
| C10 | O5 | P1 | O7 | 119.8° | 65.0° |
| O5 | C10 | C9 | H10 | 175.7° | 52.8° |
| O5 | C10 | H11 | H12 | 119.8° | 120.1° |
| O3 | C7 | C6 | H6 | 127.1° | 122.5° |
| O3 | C7 | C6 | O2 | 137.8° | 142.7° |
| O3 | C7 | C6 | N5 | 111.9° | 98.4° |
| O3 | C7 | C6 | H5 | 16.4° | 23.8° |
| O3 | C7 | C8 | H8 | 102.2° | 122.7° |
| O6 | P1 | C11 | C12 | 63.4° | 30.3° |
| O6 | P1 | O5 | C11 | 106.5° | 120.0° |
| O6 | P1 | O5 | O7 | 124.9° | 120.0° |
| O6 | P1 | C11 | O7 | 136.5° | 120.0° |
| O6 | P1 | C11 | C13 | 116.5° | 150.0° |
| O6 | P1 | O7 | H13 | 0.0° | 180.0° |
| N6 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | N6 | N7 | H15 | 180.0° | 180.0° |
| N6 | C12 | C11 | P1 | 179.1° | 180.0° |
| N6 | C12 | C11 | C13 | 0.9° | 0.3° |
| C12 | N6 | N7 | C13 | 0.7° | 0.3° |
| C11 | C12 | N6 | N7 | 1.0° | 0.0° |
| C12 | C11 | P1 | O5 | 57.1° | 89.6° |
| C12 | C11 | P1 | C13 | 180.0° | 179.6° |
| C12 | C11 | P1 | O7 | 160.1° | 150.3° |
| C12 | C11 | C13 | N7 | 0.4° | 0.5° |
| C12 | C11 | C13 | C14 | 179.2° | 179.7° |
| C11 | C12 | N6 | H15 | 179.0° | 180.0° |
| C7 | C6 | O2 | N5 | 118.7° | 118.9° |
| C7 | C6 | O2 | H5 | 120.8° | 118.8° |
| C7 | C6 | N5 | H5 | 127.8° | 122.2° |
| C7 | C6 | N5 | C3 | 56.3° | 86.6° |
| C7 | C6 | N5 | C5 | 121.2° | 93.6° |
| C6 | C7 | O3 | H7 | 69.6° | 180.0° |
| C6 | C7 | C8 | H8 | 142.9° | 118.6° |
| N6 | N7 | C13 | C11 | 0.2° | 0.5° |
| N6 | N7 | C13 | C14 | 179.8° | 179.7° |
| N7 | N6 | C12 | H14 | 179.0° | 180.0° |
| O2 | C6 | N5 | H5 | 120.6° | 122.3° |
| O2 | C6 | N5 | C3 | 167.9° | 157.9° |
| O2 | C6 | N5 | C5 | 9.6° | 21.9° |
| O2 | C6 | C7 | H6 | 95.1° | 94.8° |
| C6 | O2 | C9 | H10 | 96.4° | 78.5° |
| O5 | P1 | C11 | O7 | 103.0° | 120.0° |
| O5 | P1 | C11 | C13 | 122.9° | 90.0° |
| P1 | O5 | C10 | H11 | 75.5° | 60.0° |
| P1 | O5 | C10 | H12 | 44.4° | 60.1° |
| O5 | P1 | O7 | H13 | 125.4° | 60.0° |
| C6 | N5 | C3 | C5 | 177.8° | 179.9° |
| C6 | N5 | C3 | N3 | 1.6° | 0.1° |
| C6 | N5 | C3 | C4 | 179.9° | 179.8° |
| C6 | N5 | C5 | N4 | 179.0° | 179.8° |
| C6 | N5 | C5 | H4 | 1.0° | 0.1° |
| N5 | C6 | C7 | H6 | 15.2° | 24.1° |
| P1 | C11 | C13 | N7 | 179.6° | 179.8° |
| P1 | C11 | C13 | C14 | 0.8° | 0.1° |
| C11 | P1 | O7 | H13 | 130.4° | 60.0° |
| P1 | C11 | C12 | H14 | 0.9° | 0.1° |
| O7 | P1 | C11 | C13 | 19.9° | 30.0° |
| C11 | C13 | N7 | C14 | 179.7° | 179.8° |
| C13 | C11 | C12 | H14 | 179.1° | 179.7° |
| C11 | C13 | C14 | H16 | 179.6° | 90.0° |
| C11 | C13 | C14 | H17 | 60.4° | 150.0° |
| C11 | C13 | C14 | H18 | 59.6° | 30.1° |
| C13 | N7 | N6 | H15 | 179.3° | 179.7° |
| N7 | C13 | C14 | H16 | 0.0° | 89.8° |
| N7 | C13 | C14 | H17 | 120.0° | 30.3° |
| N7 | C13 | C14 | H18 | 120.0° | 150.2° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C13 | C14 | H16 | H18 | 120.0° | 119.9° |
| C13 | C14 | H17 | H18 | 120.0° | 119.9° |
| N5 | C3 | N3 | C4 | 178.3° | 179.7° |
| N5 | C3 | N3 | C2 | 177.8° | 179.9° |
| C3 | N5 | C5 | N4 | 1.2° | 0.3° |
| N5 | C3 | C4 | N4 | 2.6° | 0.2° |
| N5 | C3 | C4 | C1 | 178.0° | 179.7° |
| C3 | N5 | C5 | H4 | 178.8° | 179.9° |
| C3 | N5 | C6 | H5 | 71.5° | 35.6° |
| C5 | N5 | C3 | N3 | 176.2° | 180.0° |
| C5 | N5 | C3 | C4 | 2.3° | 0.3° |
| N5 | C5 | N4 | H4 | 180.0° | 179.8° |
| N5 | C5 | N4 | C4 | 0.5° | 0.2° |
| C5 | N5 | C6 | H5 | 111.0° | 144.2° |
| C3 | N3 | C2 | N2 | 177.2° | 180.0° |
| C3 | N3 | C2 | N1 | 2.7° | 0.0° |
| N3 | C3 | C4 | N4 | 176.0° | 180.0° |
| N3 | C3 | C4 | C1 | 3.4° | 0.5° |
| C2 | N3 | C3 | C4 | 3.9° | 0.2° |
| N3 | C2 | N2 | N1 | 179.9° | 180.0° |
| N3 | C2 | N1 | C1 | 1.0° | 0.0° |
| N3 | C2 | N1 | H1 | 179.1° | 179.9° |
| N3 | C2 | N2 | H2 | 0.0° | 180.0° |
| N3 | C2 | N2 | H3 | 180.0° | 0.0° |
| C3 | C4 | N4 | C5 | 1.9° | 0.0° |
| C3 | C4 | N4 | C1 | 179.3° | 179.4° |
| C3 | C4 | C1 | N1 | 1.5° | 0.6° |
| C3 | C4 | C1 | O1 | 175.5° | 179.8° |
| C5 | N4 | C4 | C1 | 178.9° | 179.4° |
| N2 | C2 | N1 | C1 | 178.9° | 180.0° |
| N2 | C2 | N1 | H1 | 1.1° | 0.1° |
| C2 | N2 | H2 | H3 | 180.0° | 179.9° |
| C2 | N1 | C1 | C4 | 0.4° | 0.3° |
| C2 | N1 | C1 | H1 | 180.0° | 179.9° |
| C2 | N1 | C1 | O1 | 175.0° | 179.9° |
| N1 | C2 | N2 | H2 | 179.9° | 0.0° |
| N1 | C2 | N2 | H3 | 0.2° | 180.0° |
| N4 | C4 | C1 | N1 | 177.7° | 179.9° |
| N4 | C4 | C1 | O1 | 3.7° | 0.5° |
| C4 | N4 | C5 | H4 | 179.5° | 179.9° |
| C4 | C1 | N1 | O1 | 174.6° | 179.6° |
| C4 | C1 | N1 | H1 | 179.7° | 179.8° |
| O1 | C1 | N1 | H1 | 5.1° | 0.2° |
| H5 | C6 | C7 | H6 | 143.5° | 146.4° |
| H6 | C7 | O3 | H7 | 56.6° | 57.4° |
| H6 | C7 | C8 | H8 | 21.6° | 0.1° |
| H8 | C8 | O4 | H9 | 58.3° | 57.4° |
| H8 | C8 | C9 | H10 | 118.5° | 146.4° |
| H10 | C9 | C10 | H11 | 55.6° | 67.2° |
| H10 | C9 | C10 | H12 | 64.2° | 172.7° |
| H14 | C12 | N6 | H15 | 1.0° | 0.0° |
| H16 | C14 | H17 | H18 | 120.0° | 120.1° |
