CZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P2 | doub | 1.48Å | 1.48Å | |
| O11 | P2 | sing | 1.61Å | 1.62Å | |
| P2 | O10 | sing | 1.61Å | 1.62Å | |
| P2 | O7 | sing | 1.61Å | 1.61Å | |
| O7 | P1 | sing | 1.61Å | 1.62Å | |
| C6 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.54Å | 1.50Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| O2 | C5 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | O5 | sing | 1.43Å | 1.43Å | |
| O9 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| P1 | O8 | sing | 1.61Å | 1.62Å | |
| C5 | C4 | sing | 1.55Å | 1.51Å | |
| C7 | O4 | sing | 1.44Å | 1.46Å | |
| C4 | O4 | sing | 1.44Å | 1.46Å | |
| C4 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C10 | sing | 1.36Å | 1.33Å | Aromatic |
| N4 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C10 | N3 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.38Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.34Å | 1.40Å | |
| N3 | C3 | sing | 1.35Å | 1.33Å | Aromatic |
| C3 | C9 | sing | 1.46Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.34Å | 1.40Å | |
| C9 | N1 | sing | 1.35Å | 1.40Å | |
| C9 | O6 | doub | 1.22Å | 1.23Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| O8 | H12 | sing | 0.97Å | 0.95Å | |
| O10 | H13 | sing | 0.97Å | 0.95Å | |
| O11 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P2 | O11 | 112.0° | 109.5° |
| O12 | P2 | O10 | 111.4° | 109.4° |
| O12 | P2 | O7 | 113.2° | 109.5° |
| O11 | P2 | O10 | 105.7° | 109.5° |
| O11 | P2 | O7 | 106.7° | 109.5° |
| P2 | O11 | H14 | 109.5° | 114.0° |
| O10 | P2 | O7 | 107.3° | 109.5° |
| P2 | O10 | H13 | 109.5° | 114.0° |
| P2 | O7 | P1 | 120.2° | 134.0° |
| O7 | P1 | O9 | 111.4° | 109.5° |
| O7 | P1 | O5 | 107.3° | 109.5° |
| O7 | P1 | O8 | 104.5° | 109.4° |
| O3 | C6 | C5 | 109.3° | 110.5° |
| O3 | C6 | C7 | 110.0° | 110.5° |
| O3 | C6 | H3 | 113.9° | 110.5° |
| C6 | O3 | H11 | 109.5° | 114.0° |
| C5 | C6 | C7 | 97.0° | 104.1° |
| C6 | C5 | O2 | 111.6° | 110.7° |
| C6 | C5 | C4 | 97.2° | 104.0° |
| C6 | C5 | H2 | 111.7° | 110.6° |
| C5 | C6 | H3 | 112.9° | 110.5° |
| C6 | C7 | C8 | 109.7° | 110.4° |
| C6 | C7 | O4 | 103.5° | 104.8° |
| C7 | C6 | H3 | 112.5° | 110.6° |
| C6 | C7 | H4 | 111.3° | 110.4° |
| O2 | C5 | C4 | 111.2° | 110.5° |
| O2 | C5 | H2 | 112.7° | 110.5° |
| C5 | O2 | H10 | 109.5° | 114.0° |
| C7 | C8 | O5 | 109.7° | 109.4° |
| C8 | C7 | O4 | 108.7° | 110.4° |
| C8 | C7 | H4 | 111.1° | 110.5° |
| C7 | C8 | H5 | 109.4° | 109.5° |
| C7 | C8 | H6 | 109.4° | 109.6° |
| C8 | O5 | P1 | 120.6° | 123.0° |
| O5 | C8 | H5 | 109.4° | 109.4° |
| O5 | C8 | H6 | 109.4° | 109.5° |
| O9 | P1 | O5 | 113.0° | 109.5° |
| O9 | P1 | O8 | 112.5° | 109.5° |
| O5 | P1 | O8 | 107.6° | 109.5° |
| P1 | O8 | H12 | 109.5° | 114.1° |
| C5 | C4 | O4 | 103.0° | 104.8° |
| C5 | C4 | N4 | 112.8° | 110.4° |
| C5 | C4 | H1 | 109.6° | 110.5° |
| C4 | C5 | H2 | 111.4° | 110.5° |
| C7 | O4 | C4 | 106.1° | 105.3° |
| O4 | C7 | H4 | 112.2° | 110.4° |
| O4 | C4 | N4 | 110.9° | 110.4° |
| O4 | C4 | H1 | 110.4° | 110.3° |
| C4 | N4 | C10 | 120.6° | 126.2° |
| C4 | N4 | C2 | 131.2° | 126.2° |
| N4 | C4 | H1 | 110.0° | 110.3° |
| C10 | N4 | C2 | 108.2° | 107.6° |
| N4 | C10 | N3 | 108.1° | 109.5° |
| N4 | C10 | H7 | 126.0° | 125.2° |
| N4 | C2 | N2 | 132.1° | 134.5° |
| N4 | C2 | C3 | 107.6° | 106.4° |
| C10 | N3 | C3 | 108.3° | 109.1° |
| N3 | C10 | H7 | 126.0° | 125.2° |
| N2 | C2 | C3 | 120.3° | 119.2° |
| C2 | N2 | C1 | 119.4° | 120.8° |
| C2 | N2 | H9 | 120.3° | 119.6° |
| C2 | C3 | N3 | 107.9° | 107.4° |
| C2 | C3 | C9 | 121.7° | 118.3° |
| N2 | C1 | O1 | 120.9° | 118.9° |
| N2 | C1 | N1 | 118.6° | 122.3° |
| C1 | N2 | H9 | 120.3° | 119.6° |
| N3 | C3 | C9 | 130.4° | 134.3° |
| C3 | C9 | N1 | 120.9° | 118.5° |
| C3 | C9 | O6 | 120.2° | 120.8° |
| O1 | C1 | N1 | 120.5° | 118.8° |
| C1 | N1 | C9 | 119.1° | 120.9° |
| C1 | N1 | H8 | 120.4° | 119.6° |
| N1 | C9 | O6 | 118.9° | 120.8° |
| C9 | N1 | H8 | 120.5° | 119.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P2 | O11 | O10 | 121.6° | 120.0° |
| O12 | P2 | O11 | O7 | 124.4° | 120.0° |
| O12 | P2 | O10 | O7 | 124.5° | 120.0° |
| O12 | P2 | O7 | P1 | 153.9° | 45.0° |
| O12 | P2 | O10 | H13 | 0.0° | 60.0° |
| O12 | P2 | O11 | H14 | 0.0° | 179.9° |
| O11 | P2 | O10 | O7 | 113.6° | 120.0° |
| O11 | P2 | O7 | P1 | 82.4° | 75.0° |
| O11 | P2 | O10 | H13 | 122.0° | 60.0° |
| O10 | P2 | O7 | P1 | 30.5° | 165.0° |
| O10 | P2 | O11 | H14 | 121.6° | 60.0° |
| P2 | O7 | P1 | O9 | 30.2° | 40.0° |
| P2 | O7 | P1 | O5 | 94.0° | 160.0° |
| P2 | O7 | P1 | O8 | 152.0° | 80.0° |
| O7 | P2 | O10 | H13 | 124.5° | 180.0° |
| O7 | P2 | O11 | H14 | 124.5° | 60.1° |
| O7 | P1 | O5 | C8 | 14.0° | 175.0° |
| O7 | P1 | O9 | O5 | 120.9° | 120.0° |
| O7 | P1 | O9 | O8 | 117.0° | 120.0° |
| O7 | P1 | O5 | O8 | 111.9° | 120.0° |
| O7 | P1 | O8 | H12 | 121.1° | 60.0° |
| O3 | C6 | C5 | C7 | 114.1° | 118.7° |
| O3 | C6 | C5 | H3 | 127.8° | 122.6° |
| O3 | C6 | C7 | H3 | 128.1° | 122.7° |
| O3 | C6 | C5 | O2 | 57.4° | 0.0° |
| O3 | C6 | C7 | C8 | 175.8° | 98.6° |
| O3 | C6 | C5 | C4 | 58.9° | 118.7° |
| O3 | C6 | C7 | O4 | 68.4° | 142.6° |
| O3 | C6 | C5 | H2 | 175.4° | 122.7° |
| O3 | C6 | C7 | H4 | 52.4° | 23.8° |
| C5 | C6 | C7 | H3 | 118.3° | 118.7° |
| C6 | C5 | O2 | C4 | 107.4° | 114.7° |
| C6 | C5 | O2 | H2 | 126.6° | 122.8° |
| C5 | C6 | C7 | C8 | 70.7° | 142.8° |
| C6 | C5 | C4 | H2 | 116.8° | 118.7° |
| C5 | C6 | C7 | O4 | 45.1° | 24.0° |
| C6 | C5 | C4 | O4 | 47.2° | 24.0° |
| C6 | C5 | C4 | N4 | 166.7° | 142.8° |
| C6 | C5 | C4 | H1 | 70.3° | 94.9° |
| C5 | C6 | C7 | H4 | 165.9° | 94.8° |
| C6 | C5 | O2 | H10 | 180.0° | 65.3° |
| C5 | C6 | O3 | H11 | 180.0° | 61.4° |
| C7 | C6 | C5 | O2 | 171.5° | 118.7° |
| C6 | C7 | C8 | O4 | 112.5° | 115.3° |
| C6 | C7 | C8 | H4 | 123.5° | 122.3° |
| C6 | C7 | C8 | O5 | 177.0° | 175.0° |
| C7 | C6 | C5 | C4 | 55.3° | 0.0° |
| C6 | C7 | O4 | H4 | 120.2° | 118.8° |
| C6 | C7 | O4 | C4 | 16.1° | 40.5° |
| C7 | C6 | C5 | H2 | 61.3° | 118.6° |
| C6 | C7 | C8 | H5 | 57.0° | 55.1° |
| C6 | C7 | C8 | H6 | 62.9° | 65.0° |
| C7 | C6 | O3 | H11 | 74.6° | 176.1° |
| O2 | C5 | C4 | H2 | 126.7° | 122.5° |
| O2 | C5 | C4 | O4 | 163.7° | 142.8° |
| O2 | C5 | C4 | N4 | 76.7° | 98.4° |
| O2 | C5 | C4 | H1 | 46.2° | 23.9° |
| O2 | C5 | C6 | H3 | 70.4° | 122.6° |
| C7 | C8 | O5 | H5 | 120.1° | 120.0° |
| C7 | C8 | O5 | H6 | 120.0° | 120.1° |
| C7 | C8 | O5 | P1 | 163.7° | 180.0° |
| C8 | C7 | O4 | H4 | 123.3° | 122.4° |
| C8 | C7 | O4 | C4 | 100.4° | 159.3° |
| C8 | C7 | C6 | H3 | 47.6° | 24.1° |
| C7 | C8 | H5 | H6 | 119.9° | 120.1° |
| C8 | O5 | P1 | O9 | 137.3° | 55.0° |
| C8 | O5 | P1 | O8 | 97.9° | 65.0° |
| O5 | C8 | C7 | O4 | 70.5° | 69.7° |
| O5 | C8 | C7 | H4 | 53.5° | 52.6° |
| O5 | C8 | H5 | H6 | 119.9° | 119.9° |
| O9 | P1 | O5 | O8 | 124.8° | 120.0° |
| O9 | P1 | O8 | H12 | 0.0° | 180.0° |
| P1 | O5 | C8 | H5 | 43.6° | 60.0° |
| P1 | O5 | C8 | H6 | 76.3° | 59.9° |
| O5 | P1 | O8 | H12 | 125.1° | 59.9° |
| C5 | C4 | O4 | C7 | 19.2° | 40.5° |
| C5 | C4 | O4 | N4 | 120.9° | 118.8° |
| C5 | C4 | O4 | H1 | 117.0° | 118.9° |
| C5 | C4 | N4 | H1 | 122.7° | 122.4° |
| C5 | C4 | N4 | C10 | 78.1° | 91.8° |
| C5 | C4 | N4 | C2 | 101.4° | 88.1° |
| C4 | C5 | C6 | H3 | 173.3° | 118.8° |
| C4 | C5 | O2 | H10 | 72.6° | 180.0° |
| C7 | O4 | C4 | N4 | 140.1° | 159.3° |
| C7 | O4 | C4 | H1 | 97.8° | 78.4° |
| O4 | C7 | C6 | H3 | 163.5° | 94.7° |
| O4 | C7 | C8 | H5 | 169.5° | 170.4° |
| O4 | C7 | C8 | H6 | 49.5° | 50.4° |
| O4 | C4 | N4 | H1 | 122.3° | 122.2° |
| O4 | C4 | N4 | C10 | 36.8° | 23.5° |
| O4 | C4 | N4 | C2 | 143.6° | 156.5° |
| O4 | C4 | C5 | H2 | 69.6° | 94.7° |
| C4 | O4 | C7 | H4 | 136.3° | 78.3° |
| C4 | N4 | C10 | C2 | 179.6° | 180.0° |
| C4 | N4 | C10 | N3 | 179.9° | 180.0° |
| C4 | N4 | C2 | N2 | 0.4° | 0.0° |
| C4 | N4 | C2 | C3 | 179.9° | 180.0° |
| N4 | C4 | C5 | H2 | 50.0° | 24.1° |
| C4 | N4 | C10 | H7 | 0.1° | 0.0° |
| N4 | C10 | N3 | H7 | 180.0° | 179.9° |
| C10 | N4 | C2 | N2 | 180.0° | 180.0° |
| C10 | N4 | C2 | C3 | 0.3° | 0.0° |
| N4 | C10 | N3 | C3 | 0.2° | 0.0° |
| C10 | N4 | C4 | H1 | 159.1° | 145.8° |
| C2 | N4 | C10 | N3 | 0.3° | 0.0° |
| N4 | C2 | N2 | C3 | 179.7° | 180.0° |
| N4 | C2 | N2 | C1 | 179.8° | 180.0° |
| N4 | C2 | C3 | N3 | 0.2° | 0.0° |
| N4 | C2 | C3 | C9 | 179.9° | 179.8° |
| C2 | N4 | C4 | H1 | 21.3° | 34.2° |
| C2 | N4 | C10 | H7 | 179.7° | 180.0° |
| N4 | C2 | N2 | H9 | 0.2° | 0.0° |
| C10 | N3 | C3 | C2 | 0.0° | 0.0° |
| C10 | N3 | C3 | C9 | 179.9° | 179.7° |
| C2 | N2 | C1 | H9 | 180.0° | 180.0° |
| N2 | C2 | C3 | N3 | 180.0° | 180.0° |
| N2 | C2 | C3 | C9 | 0.1° | 0.2° |
| C2 | N2 | C1 | O1 | 179.9° | 179.9° |
| C2 | N2 | C1 | N1 | 0.0° | 0.3° |
| C3 | C2 | N2 | C1 | 0.1° | 0.0° |
| C2 | C3 | N3 | C9 | 179.9° | 179.7° |
| C2 | C3 | C9 | N1 | 0.1° | 0.2° |
| C2 | C3 | C9 | O6 | 179.9° | 180.0° |
| C3 | C2 | N2 | H9 | 179.9° | 180.0° |
| N2 | C1 | O1 | N1 | 180.0° | 179.7° |
| N2 | C1 | N1 | C9 | 0.0° | 0.3° |
| N2 | C1 | N1 | H8 | 180.0° | 179.8° |
| N3 | C3 | C9 | N1 | 180.0° | 179.9° |
| N3 | C3 | C9 | O6 | 0.0° | 0.3° |
| C3 | N3 | C10 | H7 | 179.8° | 179.9° |
| C3 | C9 | N1 | C1 | 0.0° | 0.1° |
| C3 | C9 | N1 | O6 | 180.0° | 179.8° |
| C3 | C9 | N1 | H8 | 180.0° | 180.0° |
| O1 | C1 | N1 | C9 | 180.0° | 180.0° |
| O1 | C1 | N1 | H8 | 0.0° | 0.1° |
| O1 | C1 | N2 | H9 | 0.0° | 0.1° |
| C1 | N1 | C9 | H8 | 180.0° | 179.9° |
| C1 | N1 | C9 | O6 | 180.0° | 179.7° |
| N1 | C1 | N2 | H9 | 180.0° | 179.8° |
| O6 | C9 | N1 | H8 | 0.0° | 0.2° |
| H1 | C4 | C5 | H2 | 172.9° | 146.4° |
| H2 | C5 | C6 | H3 | 56.7° | 0.1° |
| H2 | C5 | O2 | H10 | 53.4° | 57.5° |
| H3 | C6 | C7 | H4 | 75.8° | 146.5° |
| H3 | C6 | O3 | H11 | 52.8° | 61.1° |
| H4 | C7 | C8 | H5 | 66.6° | 67.3° |
| H4 | C7 | C8 | H6 | 173.5° | 172.7° |
