A1IJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | P12 | doub | 1.48Å | 1.52Å | |
| O14 | P12 | sing | 1.61Å | 1.51Å | |
| O15 | P12 | sing | 1.61Å | 1.50Å | |
| P12 | C04 | sing | 1.82Å | 1.87Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C04 | N03 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C10 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | S18 | sing | 1.70Å | 1.74Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| S18 | C19 | sing | 1.76Å | 1.73Å | Aromatic |
| C02 | C16 | sing | 1.47Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C16 | C24 | sing | 1.46Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| O11 | H12 | sing | 0.97Å | 0.95Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å | |
| O15 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | P12 | O14 | 109.2° | 109.5° |
| O13 | P12 | O15 | 108.9° | 109.5° |
| O13 | P12 | C04 | 106.4° | 109.5° |
| O14 | P12 | O15 | 109.2° | 109.5° |
| O14 | P12 | C04 | 113.1° | 109.5° |
| P12 | O14 | H13 | 109.5° | 114.0° |
| O15 | P12 | C04 | 110.1° | 109.4° |
| P12 | O15 | H14 | 109.5° | 113.9° |
| P12 | C04 | N03 | 101.7° | 109.5° |
| P12 | C04 | C05 | 112.6° | 109.5° |
| P12 | C04 | H1 | 106.6° | 109.5° |
| O11 | C10 | C05 | 120.3° | 120.0° |
| O11 | C10 | C09 | 119.0° | 120.1° |
| C10 | O11 | H12 | 109.5° | 114.1° |
| N03 | C04 | C05 | 113.2° | 109.5° |
| C04 | N03 | C02 | 124.2° | 120.0° |
| N03 | C04 | H1 | 111.6° | 109.5° |
| C04 | N03 | H11 | 117.9° | 120.0° |
| C04 | C05 | C10 | 120.6° | 120.1° |
| C04 | C05 | C06 | 119.6° | 120.0° |
| C05 | C04 | H1 | 110.6° | 109.4° |
| N03 | C02 | C16 | 118.3° | 120.0° |
| N03 | C02 | O01 | 119.9° | 120.0° |
| C02 | N03 | H11 | 117.9° | 120.0° |
| C05 | C10 | C09 | 120.6° | 119.9° |
| C10 | C05 | C06 | 119.8° | 119.9° |
| C10 | C09 | C08 | 119.7° | 120.0° |
| C10 | C09 | H5 | 120.2° | 120.0° |
| C05 | C06 | C07 | 119.6° | 120.1° |
| C05 | C06 | H2 | 120.2° | 120.0° |
| S18 | C17 | C16 | 105.6° | 112.2° |
| C17 | S18 | C19 | 97.4° | 93.0° |
| S18 | C17 | H6 | 127.2° | 123.9° |
| C17 | C16 | C02 | 120.7° | 123.0° |
| C17 | C16 | C24 | 115.6° | 113.9° |
| C16 | C17 | H6 | 127.2° | 123.9° |
| S18 | C19 | C24 | 106.1° | 109.8° |
| S18 | C19 | C20 | 133.3° | 130.5° |
| C16 | C02 | O01 | 121.7° | 120.0° |
| C02 | C16 | C24 | 123.6° | 123.0° |
| C16 | C24 | C19 | 115.3° | 111.1° |
| C16 | C24 | C23 | 126.0° | 129.8° |
| C09 | C08 | C07 | 119.9° | 120.0° |
| C09 | C08 | H4 | 120.0° | 119.9° |
| C08 | C09 | H5 | 120.1° | 120.1° |
| C24 | C19 | C20 | 120.6° | 119.7° |
| C19 | C24 | C23 | 118.7° | 119.2° |
| C19 | C20 | C21 | 120.2° | 120.3° |
| C19 | C20 | H7 | 119.9° | 119.9° |
| C24 | C23 | C22 | 120.9° | 120.3° |
| C24 | C23 | H10 | 119.6° | 119.9° |
| C20 | C21 | C22 | 120.0° | 120.2° |
| C21 | C20 | H7 | 119.9° | 119.8° |
| C20 | C21 | H8 | 120.0° | 119.9° |
| C23 | C22 | C21 | 119.7° | 120.4° |
| C23 | C22 | H9 | 120.2° | 119.8° |
| C22 | C23 | H10 | 119.5° | 119.8° |
| C06 | C07 | C08 | 120.4° | 120.1° |
| C07 | C06 | H2 | 120.2° | 119.9° |
| C06 | C07 | H3 | 119.8° | 120.0° |
| C22 | C21 | H8 | 120.0° | 119.9° |
| C21 | C22 | H9 | 120.1° | 119.8° |
| C08 | C07 | H3 | 119.8° | 119.9° |
| C07 | C08 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | P12 | O14 | O15 | 118.9° | 120.0° |
| O13 | P12 | O14 | C04 | 118.3° | 120.0° |
| O13 | P12 | O15 | C04 | 116.3° | 120.0° |
| O13 | P12 | C04 | N03 | 64.2° | 64.8° |
| O13 | P12 | C04 | C05 | 174.3° | 55.2° |
| O13 | P12 | C04 | H1 | 52.9° | 175.2° |
| O13 | P12 | O14 | H13 | 0.0° | 60.0° |
| O13 | P12 | O15 | H14 | 0.0° | 64.9° |
| O14 | P12 | O15 | C04 | 124.6° | 120.0° |
| O14 | P12 | C04 | N03 | 175.9° | 175.3° |
| O14 | P12 | C04 | C05 | 54.5° | 64.7° |
| O14 | P12 | C04 | H1 | 67.0° | 55.2° |
| O14 | P12 | O15 | H14 | 119.1° | 175.1° |
| O15 | P12 | C04 | N03 | 53.6° | 55.3° |
| O15 | P12 | C04 | C05 | 67.9° | 175.3° |
| O15 | P12 | C04 | H1 | 170.6° | 64.8° |
| O15 | P12 | O14 | H13 | 118.9° | 179.9° |
| P12 | C04 | N03 | C05 | 121.0° | 120.0° |
| P12 | C04 | N03 | H1 | 113.4° | 120.1° |
| P12 | C04 | C05 | H1 | 119.2° | 120.0° |
| P12 | C04 | N03 | C02 | 130.3° | 104.6° |
| P12 | C04 | C05 | C10 | 56.6° | 95.3° |
| P12 | C04 | C05 | C06 | 124.9° | 85.0° |
| P12 | C04 | N03 | H11 | 49.8° | 75.4° |
| C04 | P12 | O14 | H13 | 118.3° | 60.0° |
| C04 | P12 | O15 | H14 | 116.3° | 55.1° |
| O11 | C10 | C05 | C04 | 0.8° | 0.0° |
| O11 | C10 | C05 | C09 | 180.0° | 179.7° |
| O11 | C10 | C05 | C06 | 179.3° | 179.8° |
| O11 | C10 | C09 | C08 | 179.9° | 179.7° |
| O11 | C10 | C09 | H5 | 0.1° | 0.0° |
| N03 | C04 | C05 | H1 | 126.1° | 120.0° |
| C04 | N03 | C02 | H11 | 180.0° | 179.9° |
| N03 | C04 | C05 | C10 | 171.3° | 144.7° |
| N03 | C04 | C05 | C06 | 10.2° | 35.0° |
| C04 | N03 | C02 | C16 | 176.6° | 174.9° |
| C04 | N03 | C02 | O01 | 4.5° | 4.8° |
| C05 | C04 | N03 | C02 | 108.7° | 135.4° |
| C04 | C05 | C10 | C06 | 178.5° | 179.7° |
| C04 | C05 | C10 | C09 | 179.2° | 179.7° |
| C04 | C05 | C06 | C07 | 179.3° | 180.0° |
| C04 | C05 | C06 | H2 | 0.7° | 0.0° |
| C05 | C04 | N03 | H11 | 71.3° | 44.6° |
| N03 | C02 | C16 | C17 | 22.6° | 0.6° |
| N03 | C02 | C16 | O01 | 178.9° | 179.7° |
| N03 | C02 | C16 | C24 | 154.2° | 179.7° |
| C02 | N03 | C04 | H1 | 16.9° | 15.5° |
| C05 | C10 | C09 | C08 | 0.1° | 0.6° |
| C10 | C05 | C06 | C07 | 0.7° | 0.3° |
| C10 | C05 | C04 | H1 | 62.6° | 24.7° |
| C10 | C05 | C06 | H2 | 179.3° | 179.7° |
| C05 | C10 | C09 | H5 | 179.9° | 179.7° |
| C05 | C10 | O11 | H12 | 180.0° | 90.0° |
| C09 | C10 | C05 | C06 | 0.7° | 0.5° |
| C10 | C09 | C08 | H5 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.3° | 0.4° |
| C10 | C09 | C08 | H4 | 179.7° | 179.7° |
| C09 | C10 | O11 | H12 | 0.0° | 89.7° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | H1 | 115.9° | 155.0° |
| C05 | C06 | C07 | H3 | 179.7° | 180.0° |
| S18 | C17 | C16 | H6 | 180.0° | 179.9° |
| S18 | C17 | C16 | C02 | 178.7° | 180.0° |
| S18 | C17 | C16 | C24 | 1.7° | 0.3° |
| C17 | S18 | C19 | C24 | 0.3° | 0.0° |
| C17 | S18 | C19 | C20 | 179.9° | 179.8° |
| C16 | C17 | S18 | C19 | 0.8° | 0.2° |
| C17 | C16 | C02 | C24 | 176.8° | 179.6° |
| C17 | C16 | C02 | O01 | 156.3° | 179.7° |
| C17 | C16 | C24 | C19 | 2.1° | 0.3° |
| C17 | C16 | C24 | C23 | 179.3° | 179.8° |
| S18 | C19 | C24 | C16 | 1.3° | 0.1° |
| S18 | C19 | C24 | C20 | 179.6° | 179.9° |
| S18 | C19 | C24 | C23 | 180.0° | 179.9° |
| S18 | C19 | C20 | C21 | 179.6° | 179.9° |
| C19 | S18 | C17 | H6 | 179.2° | 180.0° |
| S18 | C19 | C20 | H7 | 0.4° | 0.2° |
| C02 | C16 | C24 | C19 | 179.0° | 180.0° |
| C02 | C16 | C24 | C23 | 2.4° | 0.1° |
| C02 | C16 | C17 | H6 | 1.3° | 0.2° |
| C16 | C02 | N03 | H11 | 3.4° | 5.1° |
| O01 | C02 | C16 | C24 | 26.9° | 0.0° |
| O01 | C02 | N03 | H11 | 175.5° | 175.2° |
| C16 | C24 | C19 | C23 | 178.7° | 180.0° |
| C16 | C24 | C19 | C20 | 179.0° | 180.0° |
| C16 | C24 | C23 | C22 | 178.8° | 179.9° |
| C24 | C16 | C17 | H6 | 178.3° | 179.8° |
| C16 | C24 | C23 | H10 | 1.2° | 0.0° |
| C09 | C08 | C07 | C06 | 0.2° | 0.1° |
| C09 | C08 | C07 | H4 | 180.0° | 179.9° |
| C09 | C08 | C07 | H3 | 179.7° | 179.9° |
| C24 | C19 | C20 | C21 | 0.1° | 0.1° |
| C19 | C24 | C23 | C22 | 0.3° | 0.0° |
| C24 | C19 | C20 | H7 | 179.9° | 180.0° |
| C19 | C24 | C23 | H10 | 179.7° | 179.9° |
| C20 | C19 | C24 | C23 | 0.3° | 0.0° |
| C19 | C20 | C21 | H7 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C19 | C20 | C21 | H8 | 179.8° | 179.9° |
| C24 | C23 | C22 | H10 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | H9 | 179.7° | 180.0° |
| C23 | C22 | C21 | H9 | 180.0° | 179.9° |
| C23 | C22 | C21 | H8 | 179.8° | 180.0° |
| C06 | C07 | C08 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | H4 | 179.8° | 180.0° |
| C22 | C21 | C20 | H7 | 179.8° | 180.0° |
| C21 | C22 | C23 | H10 | 180.0° | 179.9° |
| C08 | C07 | C06 | H2 | 179.7° | 179.9° |
| C07 | C08 | C09 | H5 | 179.7° | 180.0° |
| H1 | C04 | N03 | H11 | 163.1° | 164.6° |
| H2 | C06 | C07 | H3 | 0.3° | 0.0° |
| H3 | C07 | C08 | H4 | 0.2° | 0.0° |
| H4 | C08 | C09 | H5 | 0.3° | 0.1° |
| H7 | C20 | C21 | H8 | 0.2° | 0.0° |
| H8 | C21 | C22 | H9 | 0.2° | 0.1° |
| H9 | C22 | C23 | H10 | 0.0° | 0.0° |






