A0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | P3 | doub | 1.48Å | 1.51Å | |
| O9 | P3 | sing | 1.61Å | 1.51Å | |
| P3 | O7 | sing | 1.61Å | 1.62Å | |
| P3 | O8 | sing | 1.61Å | 1.52Å | |
| O7 | P2 | sing | 1.61Å | 1.60Å | |
| O11 | P1 | doub | 1.48Å | 1.50Å | |
| N4 | P2 | sing | 1.68Å | 1.64Å | |
| N4 | P1 | sing | 1.68Å | 1.64Å | |
| O5 | P2 | doub | 1.48Å | 1.50Å | |
| P2 | O6 | sing | 1.61Å | 1.50Å | |
| P1 | O4 | sing | 1.61Å | 1.50Å | |
| P1 | O3 | sing | 1.61Å | 1.60Å | |
| O3 | C9 | sing | 1.43Å | 1.44Å | |
| N3 | C4 | sing | 1.38Å | 1.32Å | |
| C1 | C4 | sing | 1.41Å | 1.42Å | |
| C1 | C2 | doub | 1.35Å | 1.34Å | |
| C4 | N2 | doub | 1.33Å | 1.34Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| O12 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| N2 | C3 | sing | 1.33Å | 1.35Å | |
| C8 | O2 | sing | 1.44Å | 1.44Å | |
| N1 | C3 | sing | 1.35Å | 1.40Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| C3 | O1 | doub | 1.22Å | 1.24Å | |
| O2 | C5 | sing | 1.44Å | 1.41Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C6 | O13 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H11 | sing | 1.01Å | 1.00Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| O9 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | P3 | O9 | 112.3° | 109.5° |
| O10 | P3 | O7 | 106.9° | 109.5° |
| O10 | P3 | O8 | 113.7° | 109.5° |
| O9 | P3 | O7 | 105.3° | 109.5° |
| O9 | P3 | O8 | 111.9° | 109.5° |
| P3 | O9 | H17 | 109.5° | 114.0° |
| O7 | P3 | O8 | 106.0° | 109.5° |
| P3 | O7 | P2 | 133.8° | 134.0° |
| P3 | O8 | H16 | 109.5° | 114.0° |
| O7 | P2 | N4 | 104.3° | 109.5° |
| O7 | P2 | O5 | 102.7° | 109.5° |
| O7 | P2 | O6 | 104.4° | 109.5° |
| O11 | P1 | N4 | 109.9° | 109.5° |
| O11 | P1 | O4 | 118.4° | 109.5° |
| O11 | P1 | O3 | 105.0° | 109.5° |
| P2 | N4 | P1 | 131.3° | 111.0° |
| N4 | P2 | O5 | 110.7° | 109.4° |
| N4 | P2 | O6 | 114.0° | 109.4° |
| P2 | N4 | H11 | 103.8° | 111.0° |
| N4 | P1 | O4 | 112.4° | 109.5° |
| N4 | P1 | O3 | 104.6° | 109.5° |
| P1 | N4 | H11 | 103.7° | 111.0° |
| O5 | P2 | O6 | 118.7° | 109.5° |
| P2 | O6 | H15 | 109.5° | 114.0° |
| O4 | P1 | O3 | 105.4° | 109.5° |
| P1 | O4 | H14 | 109.5° | 114.0° |
| P1 | O3 | C9 | 122.1° | 123.0° |
| O3 | C9 | C8 | 109.9° | 109.5° |
| O3 | C9 | H10 | 109.4° | 109.5° |
| O3 | C9 | H9 | 109.4° | 109.5° |
| N3 | C4 | C1 | 120.8° | 120.2° |
| N3 | C4 | N2 | 118.0° | 120.2° |
| C4 | N3 | H3 | 120.0° | 120.0° |
| C4 | N3 | H4 | 120.0° | 120.0° |
| C4 | C1 | C2 | 117.7° | 119.0° |
| C1 | C4 | N2 | 121.2° | 119.6° |
| C4 | C1 | H1 | 121.2° | 120.5° |
| C1 | C2 | N1 | 121.2° | 119.3° |
| C2 | C1 | H1 | 121.1° | 120.5° |
| C1 | C2 | H2 | 119.4° | 120.4° |
| C4 | N2 | C3 | 120.6° | 120.7° |
| C9 | C8 | C7 | 115.5° | 109.9° |
| C9 | C8 | O2 | 112.1° | 109.9° |
| C9 | C8 | H8 | 108.2° | 110.0° |
| C8 | C9 | H10 | 109.3° | 109.4° |
| C8 | C9 | H9 | 109.3° | 109.5° |
| C2 | N1 | C3 | 120.4° | 120.4° |
| C2 | N1 | C5 | 121.1° | 119.8° |
| N1 | C2 | H2 | 119.4° | 120.4° |
| O12 | C7 | C8 | 111.8° | 110.5° |
| O12 | C7 | C6 | 114.1° | 110.5° |
| O12 | C7 | H7 | 111.0° | 110.5° |
| C7 | O12 | H12 | 109.5° | 114.0° |
| C8 | C7 | C6 | 100.5° | 104.2° |
| C7 | C8 | O2 | 104.0° | 107.3° |
| C8 | C7 | H7 | 109.5° | 110.5° |
| C7 | C8 | H8 | 107.9° | 109.9° |
| C7 | C6 | C5 | 100.7° | 102.1° |
| C7 | C6 | O13 | 112.1° | 110.9° |
| C7 | C6 | H6 | 110.8° | 111.0° |
| C6 | C7 | H7 | 109.5° | 110.5° |
| N2 | C3 | N1 | 118.8° | 121.1° |
| N2 | C3 | O1 | 122.1° | 119.4° |
| C8 | O2 | C5 | 109.9° | 106.9° |
| O2 | C8 | H8 | 109.0° | 109.9° |
| C3 | N1 | C5 | 118.5° | 119.8° |
| N1 | C3 | O1 | 119.2° | 119.5° |
| N1 | C5 | O2 | 107.4° | 110.7° |
| N1 | C5 | C6 | 114.4° | 110.6° |
| N1 | C5 | H5 | 109.2° | 110.5° |
| O2 | C5 | C6 | 106.9° | 103.5° |
| O2 | C5 | H5 | 110.3° | 110.6° |
| C5 | C6 | O13 | 109.4° | 110.9° |
| C6 | C5 | H5 | 108.6° | 110.6° |
| C5 | C6 | H6 | 110.7° | 110.9° |
| O13 | C6 | H6 | 112.6° | 110.8° |
| C6 | O13 | H13 | 109.5° | 114.0° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H3 | N3 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | P3 | O9 | O7 | 116.0° | 120.0° |
| O10 | P3 | O9 | O8 | 129.3° | 120.0° |
| O10 | P3 | O7 | O8 | 121.6° | 120.0° |
| O10 | P3 | O7 | P2 | 82.8° | 45.0° |
| O10 | P3 | O8 | H16 | 0.0° | 180.0° |
| O10 | P3 | O9 | H17 | 0.0° | 60.0° |
| O9 | P3 | O7 | O8 | 118.7° | 120.0° |
| O9 | P3 | O7 | P2 | 157.6° | 165.0° |
| O9 | P3 | O8 | H16 | 128.6° | 60.0° |
| P3 | O7 | P2 | N4 | 50.2° | 180.0° |
| P3 | O7 | P2 | O5 | 165.8° | 60.0° |
| P3 | O7 | P2 | O6 | 69.7° | 60.0° |
| O7 | P3 | O8 | H16 | 117.2° | 60.0° |
| O7 | P3 | O9 | H17 | 116.0° | 180.0° |
| O8 | P3 | O7 | P2 | 38.9° | 75.0° |
| O8 | P3 | O9 | H17 | 129.3° | 60.0° |
| O7 | P2 | N4 | O5 | 109.8° | 120.0° |
| O7 | P2 | N4 | O6 | 113.2° | 120.0° |
| O7 | P2 | N4 | P1 | 97.9° | 180.0° |
| O7 | P2 | O5 | O6 | 114.5° | 120.0° |
| O7 | P2 | N4 | H11 | 24.9° | 56.0° |
| O7 | P2 | O6 | H15 | 113.6° | 60.0° |
| O11 | P1 | N4 | P2 | 167.4° | 60.0° |
| O11 | P1 | N4 | O4 | 134.1° | 120.0° |
| O11 | P1 | N4 | O3 | 112.2° | 120.0° |
| O11 | P1 | O4 | O3 | 116.9° | 120.0° |
| O11 | P1 | O3 | C9 | 176.2° | 50.0° |
| O11 | P1 | N4 | H11 | 44.6° | 64.0° |
| O11 | P1 | O4 | H14 | 0.0° | 180.0° |
| P2 | N4 | P1 | H11 | 122.8° | 124.0° |
| N4 | P2 | O5 | O6 | 134.7° | 119.9° |
| P2 | N4 | P1 | O4 | 33.4° | 60.0° |
| P2 | N4 | P1 | O3 | 80.4° | 180.0° |
| N4 | P2 | O6 | H15 | 133.3° | 60.0° |
| P1 | N4 | P2 | O5 | 152.3° | 60.0° |
| P1 | N4 | P2 | O6 | 15.3° | 60.0° |
| N4 | P1 | O4 | O3 | 113.3° | 120.0° |
| N4 | P1 | O3 | C9 | 68.2° | 70.0° |
| N4 | P1 | O4 | H14 | 129.8° | 60.0° |
| O5 | P2 | N4 | H11 | 85.0° | 176.0° |
| O5 | P2 | O6 | H15 | 0.0° | 179.9° |
| O6 | P2 | N4 | H11 | 138.1° | 64.0° |
| O4 | P1 | O3 | C9 | 50.5° | 170.0° |
| O4 | P1 | N4 | H11 | 89.4° | 176.0° |
| P1 | O3 | C9 | C8 | 161.9° | 180.0° |
| P1 | O3 | C9 | H10 | 41.8° | 60.0° |
| P1 | O3 | C9 | H9 | 78.0° | 60.0° |
| O3 | P1 | N4 | H11 | 156.8° | 56.0° |
| O3 | P1 | O4 | H14 | 116.9° | 60.0° |
| O3 | C9 | C8 | H10 | 120.1° | 120.0° |
| O3 | C9 | C8 | H9 | 120.1° | 120.0° |
| O3 | C9 | C8 | C7 | 51.1° | 175.0° |
| O3 | C9 | C8 | O2 | 67.7° | 67.1° |
| O3 | C9 | C8 | H8 | 172.1° | 53.9° |
| O3 | C9 | H10 | H9 | 119.8° | 120.0° |
| N3 | C4 | C1 | N2 | 180.0° | 179.9° |
| N3 | C4 | C1 | C2 | 179.9° | 179.9° |
| N3 | C4 | N2 | C3 | 179.9° | 180.0° |
| N3 | C4 | C1 | H1 | 0.1° | 0.2° |
| C4 | N3 | H3 | H4 | 180.0° | 180.0° |
| C4 | C1 | C2 | H1 | 180.0° | 179.7° |
| C4 | C1 | C2 | N1 | 0.1° | 0.0° |
| C1 | C4 | N2 | C3 | 0.1° | 0.1° |
| C4 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C4 | N3 | H3 | 180.0° | 0.0° |
| C1 | C4 | N3 | H4 | 0.0° | 180.0° |
| C2 | C1 | C4 | N2 | 0.1° | 0.0° |
| C1 | C2 | N1 | H2 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 0.4° | 0.0° |
| C1 | C2 | N1 | C5 | 179.5° | 180.0° |
| C4 | N2 | C3 | N1 | 0.4° | 0.1° |
| C4 | N2 | C3 | O1 | 179.9° | 179.9° |
| N2 | C4 | C1 | H1 | 179.9° | 179.7° |
| N2 | C4 | N3 | H3 | 0.0° | 180.0° |
| N2 | C4 | N3 | H4 | 180.0° | 0.1° |
| C9 | C8 | C7 | O12 | 76.4° | 119.8° |
| C9 | C8 | C7 | O2 | 123.2° | 119.4° |
| C9 | C8 | C7 | H8 | 121.1° | 121.1° |
| C9 | C8 | C7 | C6 | 162.2° | 121.4° |
| C9 | C8 | O2 | H8 | 119.7° | 121.1° |
| C9 | C8 | O2 | C5 | 147.4° | 146.0° |
| C9 | C8 | C7 | H7 | 47.0° | 2.8° |
| C8 | C9 | H10 | H9 | 119.8° | 120.0° |
| C2 | N1 | C3 | N2 | 0.5° | 0.0° |
| C2 | N1 | C3 | C5 | 179.2° | 180.0° |
| C2 | N1 | C3 | O1 | 179.7° | 180.0° |
| C2 | N1 | C5 | O2 | 3.3° | 128.7° |
| C2 | N1 | C5 | C6 | 121.8° | 117.1° |
| N1 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | N1 | C5 | H5 | 116.3° | 5.7° |
| O12 | C7 | C8 | C6 | 121.4° | 118.7° |
| O12 | C7 | C8 | H7 | 123.4° | 122.7° |
| O12 | C7 | C6 | H7 | 125.1° | 122.6° |
| O12 | C7 | C8 | O2 | 160.4° | 120.7° |
| O12 | C7 | C6 | C5 | 160.0° | 97.8° |
| O12 | C7 | C6 | O13 | 43.8° | 20.4° |
| O12 | C7 | C6 | H6 | 82.9° | 144.0° |
| O12 | C7 | C8 | H8 | 44.7° | 1.3° |
| C8 | C7 | C6 | H7 | 115.2° | 118.6° |
| C7 | C8 | O2 | H8 | 114.9° | 119.4° |
| C7 | C8 | O2 | C5 | 22.0° | 26.5° |
| C8 | C7 | C6 | C5 | 40.2° | 20.9° |
| C8 | C7 | C6 | O13 | 76.0° | 139.1° |
| C8 | C7 | C6 | H6 | 157.4° | 97.3° |
| C7 | C8 | C9 | H10 | 69.0° | 55.0° |
| C7 | C8 | C9 | H9 | 171.2° | 65.0° |
| C8 | C7 | O12 | H12 | 180.0° | 180.0° |
| C6 | C7 | C8 | O2 | 39.0° | 2.0° |
| C7 | C6 | C5 | N1 | 90.0° | 155.7° |
| C7 | C6 | C5 | O2 | 28.7° | 37.0° |
| C7 | C6 | C5 | O13 | 118.1° | 118.2° |
| C7 | C6 | C5 | H6 | 117.2° | 118.3° |
| C7 | C6 | O13 | H6 | 125.7° | 123.7° |
| C7 | C6 | C5 | H5 | 147.8° | 81.5° |
| C6 | C7 | C8 | H8 | 76.7° | 117.4° |
| C6 | C7 | O12 | H12 | 66.8° | 65.2° |
| C7 | C6 | O13 | H13 | 180.0° | 67.3° |
| N2 | C3 | N1 | O1 | 179.8° | 180.0° |
| N2 | C3 | N1 | C5 | 179.7° | 180.0° |
| C8 | O2 | C5 | N1 | 118.7° | 158.6° |
| C8 | O2 | C5 | C6 | 4.5° | 40.0° |
| C8 | O2 | C5 | H5 | 122.4° | 78.5° |
| O2 | C8 | C7 | H7 | 76.2° | 116.6° |
| O2 | C8 | C9 | H10 | 172.2° | 172.8° |
| O2 | C8 | C9 | H9 | 52.4° | 52.9° |
| C3 | N1 | C5 | O2 | 177.5° | 51.3° |
| C3 | N1 | C5 | C6 | 59.0° | 62.9° |
| C3 | N1 | C2 | H2 | 179.6° | 179.9° |
| C3 | N1 | C5 | H5 | 62.9° | 174.3° |
| C5 | N1 | C3 | O1 | 0.5° | 0.0° |
| N1 | C5 | O2 | C6 | 123.2° | 118.6° |
| N1 | C5 | O2 | H5 | 118.9° | 122.9° |
| N1 | C5 | C6 | H5 | 122.2° | 122.8° |
| N1 | C5 | C6 | O13 | 151.8° | 86.1° |
| C5 | N1 | C2 | H2 | 0.5° | 0.1° |
| N1 | C5 | C6 | H6 | 27.2° | 37.4° |
| O2 | C5 | C6 | H5 | 119.0° | 118.5° |
| O2 | C5 | C6 | O13 | 89.4° | 155.3° |
| O2 | C5 | C6 | H6 | 146.0° | 81.2° |
| C5 | O2 | C8 | H8 | 92.9° | 92.9° |
| C5 | C6 | O13 | H6 | 123.5° | 123.6° |
| C5 | C6 | C7 | H7 | 74.9° | 139.5° |
| C5 | C6 | O13 | H13 | 69.2° | 180.0° |
| O13 | C6 | C5 | H5 | 29.6° | 36.7° |
| O13 | C6 | C7 | H7 | 168.9° | 102.2° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H5 | C5 | C6 | H6 | 95.0° | 160.2° |
| H6 | C6 | C7 | H7 | 42.2° | 21.3° |
| H6 | C6 | O13 | H13 | 54.3° | 56.4° |
| H7 | C7 | C8 | H8 | 168.1° | 124.0° |
| H7 | C7 | O12 | H12 | 57.5° | 57.4° |
| H8 | C8 | C9 | H10 | 52.0° | 66.1° |
| H8 | C8 | C9 | H9 | 67.8° | 173.9° |
