VZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | P2 | sing | 1.82Å | 1.77Å | |
| O10 | P2 | doub | 1.48Å | 1.47Å | |
| P2 | O3 | sing | 1.61Å | 1.47Å | |
| P2 | C4 | sing | 1.81Å | 1.79Å | |
| C5 | C4 | doub | 1.30Å | 1.34Å | |
| C5 | C6 | sing | 1.50Å | 1.49Å | |
| C4 | C9 | sing | 1.50Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.49Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N7 | H11 | sing | 1.01Å | 1.00Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | P2 | O10 | 108.4° | 109.5° |
| C1 | P2 | O3 | 108.4° | 109.5° |
| C1 | P2 | C4 | 98.4° | 109.5° |
| P2 | C1 | H6 | 109.5° | 109.5° |
| P2 | C1 | H7 | 109.4° | 109.4° |
| P2 | C1 | H8 | 109.5° | 109.5° |
| O10 | P2 | O3 | 116.8° | 109.5° |
| O10 | P2 | C4 | 111.3° | 109.5° |
| O3 | P2 | C4 | 111.8° | 109.4° |
| P2 | O3 | H13 | 109.5° | 114.0° |
| P2 | C4 | C5 | 122.3° | 118.5° |
| P2 | C4 | C9 | 115.0° | 118.6° |
| C4 | C5 | C6 | 122.5° | 123.2° |
| C5 | C4 | C9 | 122.8° | 122.9° |
| C4 | C5 | H1 | 118.8° | 118.4° |
| C5 | C6 | N7 | 111.2° | 110.3° |
| C6 | C5 | H1 | 118.7° | 118.3° |
| C5 | C6 | H2 | 109.1° | 109.4° |
| C5 | C6 | H3 | 109.1° | 109.3° |
| C4 | C9 | C8 | 113.3° | 109.7° |
| C4 | C9 | H9 | 108.5° | 109.4° |
| C4 | C9 | H10 | 108.5° | 109.4° |
| C9 | C8 | N7 | 111.0° | 108.5° |
| C9 | C8 | H4 | 109.1° | 109.6° |
| C9 | C8 | H5 | 109.1° | 109.6° |
| C8 | C9 | H9 | 108.5° | 109.4° |
| C8 | C9 | H10 | 108.5° | 109.5° |
| C6 | N7 | C8 | 113.0° | 110.2° |
| N7 | C6 | H2 | 109.0° | 109.4° |
| N7 | C6 | H3 | 109.0° | 109.3° |
| C6 | N7 | H11 | 108.6° | 111.0° |
| N7 | C8 | H4 | 109.1° | 109.7° |
| N7 | C8 | H5 | 109.0° | 109.9° |
| C8 | N7 | H11 | 108.6° | 111.0° |
| H2 | C6 | H3 | 109.5° | 109.2° |
| H4 | C8 | H5 | 109.5° | 109.6° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | P2 | O10 | O3 | 122.7° | 120.0° |
| C1 | P2 | O10 | C4 | 107.2° | 120.0° |
| C1 | P2 | O3 | C4 | 107.4° | 120.0° |
| C1 | P2 | C4 | C5 | 94.3° | 0.3° |
| C1 | P2 | C4 | C9 | 84.9° | 180.0° |
| P2 | C1 | H6 | H7 | 120.0° | 119.9° |
| P2 | C1 | H6 | H8 | 120.0° | 120.0° |
| P2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | P2 | O3 | H13 | 122.8° | 60.0° |
| O10 | P2 | O3 | C4 | 129.8° | 120.0° |
| O10 | P2 | C4 | C5 | 19.3° | 120.3° |
| O10 | P2 | C4 | C9 | 161.5° | 60.0° |
| O10 | P2 | C1 | H6 | 180.0° | 60.0° |
| O10 | P2 | C1 | H7 | 60.0° | 180.0° |
| O10 | P2 | C1 | H8 | 60.0° | 60.0° |
| O10 | P2 | O3 | H13 | 0.0° | 60.0° |
| O3 | P2 | C4 | C5 | 151.9° | 119.8° |
| O3 | P2 | C4 | C9 | 28.9° | 60.0° |
| O3 | P2 | C1 | H6 | 52.3° | 60.0° |
| O3 | P2 | C1 | H7 | 172.3° | 60.0° |
| O3 | P2 | C1 | H8 | 67.7° | 179.9° |
| P2 | C4 | C5 | C9 | 179.1° | 179.7° |
| P2 | C4 | C5 | C6 | 177.1° | 179.9° |
| P2 | C4 | C9 | C8 | 168.0° | 163.8° |
| P2 | C4 | C5 | H1 | 2.9° | 0.0° |
| C4 | P2 | C1 | H6 | 64.1° | 180.0° |
| C4 | P2 | C1 | H7 | 55.9° | 60.0° |
| C4 | P2 | C1 | H8 | 175.9° | 60.0° |
| P2 | C4 | C9 | H9 | 71.4° | 76.2° |
| P2 | C4 | C9 | H10 | 47.5° | 43.7° |
| C4 | P2 | O3 | H13 | 129.8° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 12.8° | 16.5° |
| C4 | C5 | C6 | N7 | 21.3° | 17.1° |
| C4 | C5 | C6 | H2 | 98.9° | 103.2° |
| C4 | C5 | C6 | H3 | 141.5° | 137.3° |
| C5 | C4 | C9 | H9 | 107.8° | 103.6° |
| C5 | C4 | C9 | H10 | 133.4° | 136.6° |
| C6 | C5 | C4 | C9 | 3.8° | 0.4° |
| C5 | C6 | N7 | H2 | 120.3° | 120.3° |
| C5 | C6 | N7 | H3 | 120.3° | 120.2° |
| C5 | C6 | N7 | C8 | 49.0° | 51.0° |
| C5 | C6 | H2 | H3 | 119.3° | 119.6° |
| C5 | C6 | N7 | H11 | 169.5° | 174.3° |
| C4 | C9 | C8 | H9 | 120.6° | 120.1° |
| C4 | C9 | C8 | H10 | 120.6° | 120.1° |
| C4 | C9 | C8 | N7 | 39.2° | 48.9° |
| C9 | C4 | C5 | H1 | 176.2° | 179.7° |
| C4 | C9 | C8 | H4 | 159.5° | 168.7° |
| C4 | C9 | C8 | H5 | 81.0° | 71.0° |
| C4 | C9 | H9 | H10 | 118.2° | 119.9° |
| C9 | C8 | N7 | C6 | 59.2° | 68.8° |
| C9 | C8 | N7 | H4 | 120.2° | 119.7° |
| C9 | C8 | N7 | H5 | 120.2° | 119.8° |
| C9 | C8 | H4 | H5 | 119.3° | 120.3° |
| C8 | C9 | H9 | H10 | 118.3° | 119.9° |
| C9 | C8 | N7 | H11 | 179.8° | 167.9° |
| C6 | N7 | C8 | H11 | 120.6° | 123.4° |
| N7 | C6 | C5 | H1 | 158.7° | 163.0° |
| N7 | C6 | H2 | H3 | 119.2° | 119.5° |
| C6 | N7 | C8 | H4 | 179.5° | 171.5° |
| C6 | N7 | C8 | H5 | 61.0° | 51.0° |
| C8 | N7 | C6 | H2 | 71.2° | 69.4° |
| C8 | N7 | C6 | H3 | 169.3° | 171.2° |
| N7 | C8 | H4 | H5 | 119.2° | 120.7° |
| N7 | C8 | C9 | H9 | 81.3° | 71.1° |
| N7 | C8 | C9 | H10 | 159.8° | 169.0° |
| H1 | C5 | C6 | H2 | 81.0° | 76.7° |
| H1 | C5 | C6 | H3 | 38.5° | 42.8° |
| H2 | C6 | N7 | H11 | 49.3° | 54.0° |
| H3 | C6 | N7 | H11 | 70.2° | 65.5° |
| H4 | C8 | C9 | H9 | 38.9° | 48.6° |
| H4 | C8 | C9 | H10 | 80.0° | 71.2° |
| H4 | C8 | N7 | H11 | 60.0° | 48.1° |
| H5 | C8 | C9 | H9 | 158.4° | 169.0° |
| H5 | C8 | C9 | H10 | 39.6° | 49.1° |
| H5 | C8 | N7 | H11 | 59.5° | 72.4° |
| H6 | C1 | H7 | H8 | 120.0° | 120.1° |
