0M9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O2 | P1 | doub | 1.48Å | 1.51Å | |
| C7 | N1 | sing | 1.47Å | 1.44Å | |
| O1 | P1 | sing | 1.61Å | 1.51Å | |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| P1 | C9 | sing | 1.82Å | 1.83Å | |
| P1 | O3 | sing | 1.61Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | P2 | sing | 1.82Å | 1.83Å | |
| O6 | P2 | doub | 1.48Å | 1.51Å | |
| P2 | O4 | sing | 1.61Å | 1.52Å | |
| P2 | O5 | sing | 1.61Å | 1.52Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 108.9° | 109.5° |
| C5 | C6 | H12 | 109.6° | 109.5° |
| C5 | C6 | H13 | 109.6° | 109.5° |
| C6 | C5 | H14 | 109.5° | 109.4° |
| C6 | C5 | H15 | 109.4° | 109.4° |
| C6 | C5 | H16 | 109.5° | 109.5° |
| C6 | C7 | N1 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.4° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C7 | C6 | H12 | 109.6° | 109.5° |
| C7 | C6 | H13 | 109.6° | 109.4° |
| O2 | P1 | O1 | 113.1° | 109.5° |
| O2 | P1 | C9 | 99.8° | 109.5° |
| O2 | P1 | O3 | 113.1° | 109.4° |
| C7 | N1 | C8 | 120.0° | 111.0° |
| C7 | N1 | H8 | 106.8° | 111.0° |
| N1 | C7 | H10 | 109.5° | 109.5° |
| N1 | C7 | H11 | 109.5° | 109.4° |
| O1 | P1 | C9 | 108.1° | 109.5° |
| O1 | P1 | O3 | 112.9° | 109.5° |
| P1 | O1 | H1 | 109.5° | 114.0° |
| N1 | C8 | C9 | 105.8° | 109.5° |
| N1 | C8 | H6 | 110.4° | 109.5° |
| N1 | C8 | H7 | 110.4° | 109.5° |
| C8 | N1 | H8 | 106.8° | 111.0° |
| C9 | P1 | O3 | 108.7° | 109.4° |
| P1 | C9 | C8 | 120.6° | 109.5° |
| P1 | C9 | P2 | 114.0° | 109.5° |
| P1 | C9 | H3 | 104.3° | 109.5° |
| P1 | O3 | H2 | 109.5° | 114.0° |
| C8 | C9 | P2 | 105.1° | 109.4° |
| C8 | C9 | H3 | 107.2° | 109.4° |
| C9 | C8 | H6 | 110.4° | 109.5° |
| C9 | C8 | H7 | 110.4° | 109.5° |
| C9 | P2 | O6 | 98.5° | 109.5° |
| C9 | P2 | O4 | 106.9° | 109.5° |
| C9 | P2 | O5 | 107.7° | 109.4° |
| P2 | C9 | H3 | 104.3° | 109.5° |
| O6 | P2 | O4 | 111.9° | 109.5° |
| O6 | P2 | O5 | 116.3° | 109.4° |
| O4 | P2 | O5 | 113.8° | 109.5° |
| P2 | O4 | H4 | 109.5° | 114.0° |
| P2 | O5 | H5 | 109.5° | 114.0° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.4° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H14 | C5 | H16 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H12 | 119.9° | 120.0° |
| C5 | C6 | C7 | H13 | 119.9° | 120.0° |
| C5 | C6 | C7 | N1 | 137.1° | 180.0° |
| C5 | C6 | C7 | H10 | 17.2° | 60.0° |
| C5 | C6 | C7 | H11 | 102.8° | 60.0° |
| C5 | C6 | H12 | H13 | 120.3° | 120.1° |
| C6 | C5 | H14 | H15 | 120.0° | 119.9° |
| C6 | C5 | H14 | H16 | 120.0° | 120.0° |
| C6 | C5 | H15 | H16 | 120.0° | 120.0° |
| C6 | C7 | N1 | H10 | 120.0° | 120.0° |
| C6 | C7 | N1 | H11 | 120.0° | 120.0° |
| C6 | C7 | N1 | C8 | 177.0° | 180.0° |
| C6 | C7 | N1 | H8 | 55.5° | 56.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | H12 | H13 | 120.3° | 119.9° |
| C7 | C6 | C5 | H14 | 180.0° | 180.0° |
| C7 | C6 | C5 | H15 | 60.0° | 60.0° |
| C7 | C6 | C5 | H16 | 60.0° | 60.0° |
| O2 | P1 | O1 | C9 | 109.6° | 120.0° |
| O2 | P1 | O1 | O3 | 130.1° | 120.0° |
| O2 | P1 | C9 | O3 | 118.7° | 119.9° |
| O2 | P1 | C9 | C8 | 139.6° | 60.0° |
| O2 | P1 | C9 | P2 | 93.9° | 60.0° |
| O2 | P1 | O1 | H1 | 0.0° | 180.0° |
| O2 | P1 | O3 | H2 | 0.0° | 60.0° |
| O2 | P1 | C9 | H3 | 19.3° | 180.0° |
| C7 | N1 | C8 | H8 | 121.5° | 123.9° |
| C7 | N1 | C8 | C9 | 170.5° | 180.0° |
| C7 | N1 | C8 | H6 | 70.1° | 60.0° |
| C7 | N1 | C8 | H7 | 51.1° | 60.0° |
| N1 | C7 | H10 | H11 | 120.0° | 119.9° |
| N1 | C7 | C6 | H12 | 102.9° | 60.0° |
| N1 | C7 | C6 | H13 | 17.2° | 60.0° |
| O1 | P1 | C9 | O3 | 122.9° | 120.0° |
| O1 | P1 | C9 | C8 | 21.2° | 60.0° |
| O1 | P1 | C9 | P2 | 147.7° | 180.0° |
| O1 | P1 | O3 | H2 | 130.1° | 60.0° |
| O1 | P1 | C9 | H3 | 99.2° | 60.0° |
| N1 | C8 | C9 | P1 | 149.0° | 60.0° |
| N1 | C8 | C9 | H6 | 119.4° | 120.0° |
| N1 | C8 | C9 | H7 | 119.4° | 120.0° |
| N1 | C8 | C9 | P2 | 80.5° | 60.0° |
| N1 | C8 | C9 | H3 | 30.1° | 180.0° |
| N1 | C8 | H6 | H7 | 121.7° | 120.0° |
| C8 | N1 | C7 | H10 | 63.1° | 60.0° |
| C8 | N1 | C7 | H11 | 57.0° | 60.0° |
| P1 | C9 | C8 | P2 | 130.5° | 120.0° |
| P1 | C9 | C8 | H3 | 118.9° | 120.0° |
| P1 | C9 | P2 | H3 | 113.1° | 120.0° |
| P1 | C9 | P2 | O6 | 89.6° | 60.0° |
| P1 | C9 | P2 | O4 | 154.3° | 180.0° |
| P1 | C9 | P2 | O5 | 31.7° | 60.0° |
| C9 | P1 | O1 | H1 | 109.6° | 60.0° |
| C9 | P1 | O3 | H2 | 110.0° | 180.0° |
| P1 | C9 | C8 | H6 | 91.6° | 60.0° |
| P1 | C9 | C8 | H7 | 29.5° | 180.0° |
| O3 | P1 | C9 | C8 | 101.8° | 180.0° |
| O3 | P1 | C9 | P2 | 24.8° | 60.0° |
| O3 | P1 | O1 | H1 | 130.1° | 60.0° |
| O3 | P1 | C9 | H3 | 137.9° | 60.1° |
| C8 | C9 | P2 | H3 | 112.7° | 119.9° |
| C8 | C9 | P2 | O6 | 136.2° | 60.0° |
| C8 | C9 | P2 | O4 | 20.1° | 60.0° |
| C8 | C9 | P2 | O5 | 102.6° | 180.0° |
| C9 | C8 | H6 | H7 | 121.7° | 120.0° |
| C9 | C8 | N1 | H8 | 49.0° | 56.0° |
| C9 | P2 | O6 | O4 | 112.1° | 120.1° |
| C9 | P2 | O6 | O5 | 114.6° | 120.0° |
| C9 | P2 | O4 | O5 | 118.7° | 120.0° |
| C9 | P2 | O4 | H4 | 106.8° | 60.0° |
| C9 | P2 | O5 | H5 | 109.4° | 60.0° |
| P2 | C9 | C8 | H6 | 38.9° | 180.0° |
| P2 | C9 | C8 | H7 | 160.1° | 60.0° |
| O6 | P2 | O4 | O5 | 134.4° | 120.0° |
| O6 | P2 | C9 | H3 | 23.5° | 180.0° |
| O6 | P2 | O4 | H4 | 0.0° | 60.1° |
| O6 | P2 | O5 | H5 | 0.0° | 60.0° |
| O4 | P2 | C9 | H3 | 92.6° | 60.0° |
| O4 | P2 | O5 | H5 | 132.4° | 180.0° |
| O5 | P2 | C9 | H3 | 144.8° | 60.1° |
| O5 | P2 | O4 | H4 | 134.4° | 180.0° |
| H3 | C9 | C8 | H6 | 149.5° | 60.0° |
| H3 | C9 | C8 | H7 | 89.3° | 60.0° |
| H6 | C8 | N1 | H8 | 168.4° | 64.0° |
| H7 | C8 | N1 | H8 | 70.4° | 176.1° |
| H8 | N1 | C7 | H10 | 175.4° | 64.0° |
| H8 | N1 | C7 | H11 | 64.5° | 176.1° |
| H10 | C7 | C6 | H12 | 137.1° | 180.0° |
| H10 | C7 | C6 | H13 | 102.8° | 60.0° |
| H11 | C7 | C6 | H12 | 17.1° | 60.0° |
| H11 | C7 | C6 | H13 | 137.2° | 180.0° |
| H12 | C6 | C5 | H14 | 60.0° | 60.0° |
| H12 | C6 | C5 | H15 | 59.9° | 180.0° |
| H12 | C6 | C5 | H16 | 179.9° | 60.0° |
| H13 | C6 | C5 | H14 | 60.1° | 60.0° |
| H13 | C6 | C5 | H15 | 179.9° | 60.0° |
| H13 | C6 | C5 | H16 | 59.9° | 180.0° |
| H14 | C5 | H15 | H16 | 120.0° | 120.1° |
