FPJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.36Å | |
| N3 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.34Å | Aromatic |
| O5 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C9 | C3 | sing | 1.55Å | 1.52Å | |
| N4 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.37Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| C8 | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| C10 | O6 | sing | 1.43Å | 1.43Å | |
| C10 | C2 | sing | 1.54Å | 1.52Å | |
| C7 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | O4 | sing | 1.44Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | O4 | sing | 1.44Å | 1.43Å | |
| O3 | P | sing | 1.61Å | 1.61Å | |
| O2P | P | doub | 1.48Å | 1.51Å | |
| P | N1 | sing | 1.64Å | 1.76Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| C11 | O7 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O1P | H12 | sing | 0.97Å | 0.95Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| O5 | H18 | sing | 0.97Å | 0.95Å | |
| O6 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 120.4° | 120.8° |
| N6 | C6 | N4 | 120.4° | 120.7° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C5 | N3 | C4 | 107.5° | 109.4° |
| N3 | C5 | C6 | 133.4° | 134.7° |
| N3 | C5 | C8 | 107.4° | 107.1° |
| N3 | C4 | N2 | 109.2° | 110.0° |
| N3 | C4 | H1 | 125.4° | 125.0° |
| C5 | C6 | N4 | 119.2° | 118.5° |
| C6 | C5 | C8 | 119.2° | 118.2° |
| C6 | N4 | C7 | 120.6° | 121.2° |
| C5 | C8 | N2 | 107.6° | 106.0° |
| C5 | C8 | N5 | 119.3° | 119.1° |
| C4 | N2 | C8 | 108.3° | 107.5° |
| C4 | N2 | C3 | 126.0° | 126.3° |
| N2 | C4 | H1 | 125.4° | 125.1° |
| O5 | C9 | C10 | 110.4° | 110.9° |
| O5 | C9 | C3 | 110.3° | 110.9° |
| O5 | C9 | H3 | 111.1° | 110.8° |
| C9 | O5 | H18 | 109.5° | 114.0° |
| C10 | C9 | C3 | 105.3° | 102.1° |
| C9 | C10 | O6 | 109.6° | 110.5° |
| C9 | C10 | C2 | 104.6° | 104.2° |
| C10 | C9 | H3 | 109.9° | 110.9° |
| C9 | C10 | H4 | 110.5° | 110.4° |
| C9 | C3 | N2 | 111.0° | 110.6° |
| C9 | C3 | O4 | 107.0° | 103.5° |
| C3 | C9 | H3 | 109.8° | 111.0° |
| C9 | C3 | H11 | 109.2° | 110.7° |
| N4 | C7 | N5 | 121.3° | 122.5° |
| N4 | C7 | H2 | 119.3° | 118.8° |
| C8 | N2 | C3 | 125.7° | 126.2° |
| N2 | C8 | N5 | 133.0° | 134.9° |
| N2 | C3 | O4 | 109.6° | 110.6° |
| N2 | C3 | H11 | 109.7° | 110.6° |
| C8 | N5 | C7 | 120.3° | 120.7° |
| O6 | C10 | C2 | 109.8° | 110.5° |
| O6 | C10 | H4 | 111.7° | 110.5° |
| C10 | O6 | H19 | 109.5° | 114.0° |
| C10 | C2 | C1 | 110.8° | 109.9° |
| C10 | C2 | O4 | 106.1° | 107.3° |
| C2 | C10 | H4 | 110.4° | 110.6° |
| C10 | C2 | H15 | 109.9° | 109.9° |
| N5 | C7 | H2 | 119.4° | 118.8° |
| C3 | O4 | C2 | 111.2° | 106.9° |
| O4 | C3 | H11 | 110.4° | 110.8° |
| C2 | C1 | O3 | 111.0° | 109.5° |
| C1 | C2 | O4 | 109.0° | 109.8° |
| C2 | C1 | H13 | 109.1° | 109.5° |
| C2 | C1 | H14 | 109.0° | 109.5° |
| C1 | C2 | H15 | 109.8° | 109.8° |
| C1 | O3 | P | 120.1° | 123.0° |
| O3 | C1 | H13 | 109.1° | 109.5° |
| O3 | C1 | H14 | 109.1° | 109.4° |
| O4 | C2 | H15 | 111.2° | 110.0° |
| O3 | P | O2P | 107.8° | 109.5° |
| O3 | P | N1 | 111.0° | 109.5° |
| O3 | P | O1P | 108.7° | 109.5° |
| O2P | P | N1 | 108.7° | 109.4° |
| O2P | P | O1P | 108.6° | 109.4° |
| N1 | P | O1P | 111.9° | 109.5° |
| P | N1 | C11 | 125.4° | 120.0° |
| P | N1 | H10 | 117.3° | 120.0° |
| P | O1P | H12 | 109.5° | 114.0° |
| N1 | C11 | O7 | 121.7° | 120.0° |
| N1 | C11 | C12 | 119.2° | 120.0° |
| C11 | N1 | H10 | 117.3° | 120.0° |
| O7 | C11 | C12 | 119.1° | 120.0° |
| C11 | C12 | C13 | 107.9° | 109.5° |
| C11 | C12 | H5 | 109.9° | 109.5° |
| C11 | C12 | H6 | 109.9° | 109.5° |
| C13 | C12 | H5 | 109.8° | 109.5° |
| C13 | C12 | H6 | 109.8° | 109.4° |
| C12 | C13 | H7 | 109.5° | 109.4° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H16 | N6 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N3 | 0.1° | 0.5° |
| N6 | C6 | C5 | N4 | 179.9° | 179.9° |
| N6 | C6 | C5 | C8 | 180.0° | 180.0° |
| N6 | C6 | N4 | C7 | 180.0° | 180.0° |
| C6 | N6 | H16 | H17 | 120.0° | 179.9° |
| N3 | C5 | C6 | C8 | 180.0° | 179.5° |
| N3 | C5 | C6 | N4 | 180.0° | 179.5° |
| C5 | N3 | C4 | N2 | 0.1° | 0.0° |
| N3 | C5 | C8 | N2 | 0.1° | 0.4° |
| N3 | C5 | C8 | N5 | 179.9° | 179.6° |
| C5 | N3 | C4 | H1 | 179.9° | 179.7° |
| C4 | N3 | C5 | C6 | 180.0° | 179.8° |
| C4 | N3 | C5 | C8 | 0.0° | 0.3° |
| N3 | C4 | N2 | H1 | 180.0° | 179.7° |
| N3 | C4 | N2 | C8 | 0.1° | 0.2° |
| N3 | C4 | N2 | C3 | 179.7° | 179.8° |
| C5 | C6 | N4 | C7 | 0.1° | 0.0° |
| C6 | C5 | C8 | N2 | 179.9° | 180.0° |
| C6 | C5 | C8 | N5 | 0.0° | 0.0° |
| C5 | C6 | N6 | H16 | 179.9° | 0.0° |
| C5 | C6 | N6 | H17 | 60.1° | 180.0° |
| N4 | C6 | C5 | C8 | 0.1° | 0.0° |
| C6 | N4 | C7 | N5 | 0.1° | 0.0° |
| C6 | N4 | C7 | H2 | 179.9° | 179.9° |
| N4 | C6 | N6 | H16 | 0.0° | 180.0° |
| N4 | C6 | N6 | H17 | 120.0° | 0.1° |
| C5 | C8 | N2 | C4 | 0.1° | 0.4° |
| C5 | C8 | N2 | N5 | 180.0° | 180.0° |
| C5 | C8 | N2 | C3 | 179.7° | 179.6° |
| C5 | C8 | N5 | C7 | 0.1° | 0.1° |
| C4 | N2 | C3 | C9 | 56.7° | 94.9° |
| C4 | N2 | C8 | C3 | 179.5° | 180.0° |
| C4 | N2 | C8 | N5 | 179.9° | 179.6° |
| C4 | N2 | C3 | O4 | 61.2° | 19.1° |
| C4 | N2 | C3 | H11 | 177.4° | 142.1° |
| O5 | C9 | C10 | C3 | 119.1° | 118.2° |
| O5 | C9 | C10 | H3 | 122.8° | 123.6° |
| O5 | C9 | C3 | H3 | 122.7° | 123.6° |
| O5 | C9 | C3 | N2 | 109.9° | 86.3° |
| O5 | C9 | C10 | O6 | 23.1° | 20.4° |
| O5 | C9 | C10 | C2 | 140.7° | 139.1° |
| O5 | C9 | C3 | O4 | 130.6° | 155.3° |
| O5 | C9 | C10 | H4 | 100.5° | 102.1° |
| O5 | C9 | C3 | H11 | 11.1° | 36.6° |
| C10 | C9 | C3 | H3 | 118.2° | 118.2° |
| C10 | C9 | C3 | N2 | 131.0° | 155.5° |
| C9 | C10 | O6 | C2 | 114.4° | 114.8° |
| C9 | C10 | O6 | H4 | 122.8° | 122.5° |
| C9 | C10 | C2 | H4 | 118.9° | 118.7° |
| C10 | C9 | C3 | O4 | 11.5° | 37.1° |
| C9 | C10 | C2 | C1 | 93.7° | 121.4° |
| C9 | C10 | C2 | O4 | 24.4° | 2.0° |
| C10 | C9 | C3 | H11 | 108.0° | 81.6° |
| C9 | C10 | C2 | H15 | 144.7° | 117.6° |
| C10 | C9 | O5 | H18 | 180.0° | 61.4° |
| C9 | C10 | O6 | H19 | 180.0° | 61.5° |
| C9 | C3 | N2 | C8 | 123.9° | 85.0° |
| C9 | C3 | N2 | O4 | 117.9° | 114.0° |
| C9 | C3 | N2 | H11 | 120.7° | 122.9° |
| C3 | C9 | C10 | O6 | 96.0° | 97.8° |
| C3 | C9 | C10 | C2 | 21.7° | 20.9° |
| C9 | C3 | O4 | H11 | 118.7° | 118.6° |
| C9 | C3 | O4 | C2 | 4.1° | 40.1° |
| C3 | C9 | C10 | H4 | 140.5° | 139.7° |
| C3 | C9 | O5 | H18 | 64.0° | 174.1° |
| N4 | C7 | N5 | C8 | 0.0° | 0.1° |
| N4 | C7 | N5 | H2 | 180.0° | 179.9° |
| N2 | C8 | N5 | C7 | 179.9° | 179.9° |
| C8 | N2 | C3 | O4 | 118.2° | 160.9° |
| C8 | N2 | C4 | H1 | 179.8° | 180.0° |
| C8 | N2 | C3 | H11 | 3.1° | 37.9° |
| C3 | N2 | C8 | N5 | 0.4° | 0.4° |
| N2 | C3 | O4 | H11 | 120.9° | 122.9° |
| N2 | C3 | O4 | C2 | 116.2° | 158.6° |
| C3 | N2 | C4 | H1 | 0.3° | 0.1° |
| N2 | C3 | C9 | H3 | 12.8° | 37.3° |
| C8 | N5 | C7 | H2 | 180.0° | 180.0° |
| O6 | C10 | C2 | H4 | 123.6° | 122.6° |
| O6 | C10 | C2 | C1 | 148.8° | 119.9° |
| O6 | C10 | C2 | O4 | 93.1° | 120.7° |
| O6 | C10 | C9 | H3 | 145.9° | 144.0° |
| O6 | C10 | C2 | H15 | 27.2° | 1.1° |
| C10 | C2 | O4 | C3 | 18.1° | 26.5° |
| C10 | C2 | C1 | O4 | 116.3° | 117.8° |
| C10 | C2 | C1 | H15 | 121.6° | 121.0° |
| C10 | C2 | C1 | O3 | 173.1° | 175.0° |
| C10 | C2 | O4 | H15 | 119.5° | 119.5° |
| C2 | C10 | C9 | H3 | 96.4° | 97.3° |
| C10 | C2 | C1 | H13 | 52.9° | 65.0° |
| C10 | C2 | C1 | H14 | 66.7° | 55.0° |
| C2 | C10 | O6 | H19 | 65.7° | 176.3° |
| C3 | O4 | C2 | C1 | 101.3° | 146.0° |
| O4 | C3 | C9 | H3 | 106.7° | 81.1° |
| C3 | O4 | C2 | H15 | 137.5° | 93.0° |
| C2 | C1 | O3 | H13 | 120.2° | 120.1° |
| C2 | C1 | O3 | H14 | 120.2° | 120.0° |
| C1 | C2 | O4 | H15 | 121.2° | 121.0° |
| C2 | C1 | O3 | P | 80.9° | 180.0° |
| C1 | C2 | C10 | H4 | 25.1° | 2.7° |
| C2 | C1 | H13 | H14 | 119.3° | 120.0° |
| O3 | C1 | C2 | O4 | 70.6° | 67.2° |
| C1 | O3 | P | O2P | 16.1° | 45.1° |
| C1 | O3 | P | N1 | 135.0° | 74.9° |
| C1 | O3 | P | O1P | 101.5° | 165.0° |
| O3 | C1 | H13 | H14 | 119.3° | 119.9° |
| O3 | C1 | C2 | H15 | 51.5° | 53.9° |
| O4 | C2 | C10 | H4 | 143.3° | 116.7° |
| C2 | O4 | C3 | H11 | 122.8° | 78.5° |
| O4 | C2 | C1 | H13 | 169.2° | 52.9° |
| O4 | C2 | C1 | H14 | 49.7° | 172.8° |
| O3 | P | O2P | N1 | 120.4° | 120.1° |
| O3 | P | O2P | O1P | 117.7° | 120.0° |
| O3 | P | N1 | O1P | 121.7° | 120.0° |
| O3 | P | N1 | C11 | 97.6° | 60.0° |
| O3 | P | N1 | H10 | 82.4° | 120.0° |
| O3 | P | O1P | H12 | 117.1° | 60.0° |
| P | O3 | C1 | H13 | 39.3° | 59.9° |
| P | O3 | C1 | H14 | 158.9° | 60.0° |
| O2P | P | N1 | O1P | 119.9° | 119.9° |
| O2P | P | N1 | C11 | 144.0° | 180.0° |
| O2P | P | N1 | H10 | 36.0° | 0.0° |
| O2P | P | O1P | H12 | 0.0° | 180.0° |
| P | N1 | C11 | H10 | 180.0° | 180.0° |
| P | N1 | C11 | O7 | 153.4° | 0.1° |
| P | N1 | C11 | C12 | 26.6° | 180.0° |
| N1 | P | O1P | H12 | 119.9° | 60.0° |
| O1P | P | N1 | C11 | 24.1° | 60.1° |
| O1P | P | N1 | H10 | 156.0° | 120.0° |
| N1 | C11 | O7 | C12 | 180.0° | 179.9° |
| N1 | C11 | C12 | C13 | 162.0° | 180.0° |
| N1 | C11 | C12 | H5 | 42.2° | 60.0° |
| N1 | C11 | C12 | H6 | 78.2° | 60.0° |
| O7 | C11 | C12 | C13 | 18.0° | 0.1° |
| O7 | C11 | C12 | H5 | 137.8° | 119.9° |
| O7 | C11 | C12 | H6 | 101.7° | 120.1° |
| O7 | C11 | N1 | H10 | 26.6° | 179.9° |
| C11 | C12 | C13 | H5 | 119.8° | 120.0° |
| C11 | C12 | C13 | H6 | 119.8° | 120.0° |
| C11 | C12 | H5 | H6 | 120.7° | 120.0° |
| C11 | C12 | C13 | H7 | 180.0° | 60.0° |
| C11 | C12 | C13 | H8 | 60.0° | 180.0° |
| C11 | C12 | C13 | H9 | 60.0° | 60.0° |
| C12 | C11 | N1 | H10 | 153.4° | 0.0° |
| C13 | C12 | H5 | H6 | 120.7° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| H3 | C9 | C10 | H4 | 22.4° | 21.4° |
| H3 | C9 | C3 | H11 | 133.8° | 160.2° |
| H3 | C9 | O5 | H18 | 57.9° | 62.2° |
| H4 | C10 | C2 | H15 | 96.4° | 123.7° |
| H4 | C10 | O6 | H19 | 57.1° | 61.0° |
| H5 | C12 | C13 | H7 | 60.3° | 60.0° |
| H5 | C12 | C13 | H8 | 179.8° | 60.0° |
| H5 | C12 | C13 | H9 | 59.8° | 180.0° |
| H6 | C12 | C13 | H7 | 60.2° | 180.0° |
| H6 | C12 | C13 | H8 | 59.7° | 60.0° |
| H6 | C12 | C13 | H9 | 179.8° | 60.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H13 | C1 | C2 | H15 | 68.8° | 174.0° |
| H14 | C1 | C2 | H15 | 171.7° | 66.1° |
