50L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P1 | sing | 1.61Å | 1.48Å | |
| P1 | O6 | doub | 1.48Å | 1.49Å | |
| P1 | O2 | sing | 1.61Å | 1.59Å | |
| C10 | C1 | doub | 1.33Å | 1.33Å | |
| C10 | N5 | sing | 1.38Å | 1.34Å | |
| C1 | N1 | sing | 1.38Å | 1.33Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| O3 | C6 | sing | 1.44Å | 1.45Å | |
| O3 | C9 | sing | 1.44Å | 1.42Å | |
| N5 | C2 | sing | 1.35Å | 1.34Å | |
| N5 | C4 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.33Å | 1.33Å | |
| N1 | C4 | sing | 1.36Å | 1.33Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.51Å | |
| C4 | N4 | doub | 1.33Å | 1.34Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| N2 | C3 | doub | 1.33Å | 1.34Å | |
| N4 | C3 | sing | 1.33Å | 1.36Å | |
| C3 | N3 | sing | 1.38Å | 1.34Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C7 | O4 | sing | 1.43Å | 1.41Å | |
| C8 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| P1 | O8 | sing | 1.61Å | 1.61Å | |
| O8 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P1 | O6 | 119.0° | 109.4° |
| O7 | P1 | O2 | 108.8° | 109.5° |
| P1 | O7 | H15 | 109.5° | 114.0° |
| O7 | P1 | O8 | 107.3° | 109.5° |
| O6 | P1 | O2 | 108.9° | 109.5° |
| O6 | P1 | O8 | 108.3° | 109.5° |
| P1 | O2 | C5 | 120.9° | 123.0° |
| O2 | P1 | O8 | 103.5° | 109.5° |
| C1 | C10 | N5 | 107.9° | 108.2° |
| C10 | C1 | N1 | 107.4° | 108.3° |
| C10 | C1 | H1 | 126.3° | 125.8° |
| C1 | C10 | H13 | 126.1° | 125.9° |
| C10 | N5 | C2 | 128.6° | 132.7° |
| C10 | N5 | C4 | 108.3° | 107.8° |
| N5 | C10 | H13 | 126.0° | 125.9° |
| C1 | N1 | C4 | 109.1° | 107.9° |
| C1 | N1 | C9 | 120.4° | 126.0° |
| N1 | C1 | H1 | 126.3° | 125.8° |
| O1 | C2 | N5 | 122.6° | 120.2° |
| O1 | C2 | N2 | 119.4° | 120.2° |
| O2 | C5 | C6 | 111.1° | 109.5° |
| O2 | C5 | H5 | 109.0° | 109.5° |
| O2 | C5 | H6 | 109.0° | 109.5° |
| C5 | C6 | O3 | 110.9° | 110.3° |
| C5 | C6 | C7 | 115.1° | 110.4° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C5 | C6 | H7 | 108.9° | 110.3° |
| C6 | O3 | C9 | 109.3° | 105.2° |
| O3 | C6 | C7 | 103.2° | 104.8° |
| O3 | C6 | H7 | 109.7° | 110.5° |
| O3 | C9 | N1 | 107.6° | 110.4° |
| O3 | C9 | C8 | 107.5° | 104.8° |
| O3 | C9 | H12 | 109.4° | 110.4° |
| C2 | N5 | C4 | 123.1° | 119.5° |
| N5 | C2 | N2 | 118.0° | 119.6° |
| N5 | C4 | N1 | 107.2° | 107.6° |
| N5 | C4 | N4 | 118.5° | 119.7° |
| C2 | N2 | C3 | 120.4° | 120.4° |
| C4 | N1 | C9 | 130.2° | 126.0° |
| N1 | C4 | N4 | 134.2° | 132.7° |
| N1 | C9 | C8 | 115.5° | 110.4° |
| N1 | C9 | H12 | 108.7° | 110.3° |
| C6 | C7 | C8 | 102.0° | 104.0° |
| C6 | C7 | O4 | 111.2° | 110.5° |
| C7 | C6 | H7 | 108.9° | 110.4° |
| C6 | C7 | H8 | 109.4° | 110.6° |
| C4 | N4 | C3 | 119.1° | 120.2° |
| C9 | C8 | C7 | 100.4° | 104.1° |
| C9 | C8 | O5 | 107.0° | 110.5° |
| C9 | C8 | H10 | 112.3° | 110.6° |
| C8 | C9 | H12 | 108.0° | 110.5° |
| N2 | C3 | N4 | 120.8° | 120.7° |
| N2 | C3 | N3 | 117.1° | 119.7° |
| N4 | C3 | N3 | 122.1° | 119.6° |
| C3 | N3 | H2 | 120.0° | 120.0° |
| C3 | N3 | H3 | 120.0° | 120.0° |
| C8 | C7 | O4 | 113.9° | 110.5° |
| C7 | C8 | O5 | 109.8° | 110.5° |
| C8 | C7 | H8 | 109.2° | 110.5° |
| C7 | C8 | H10 | 112.4° | 110.5° |
| O4 | C7 | H8 | 110.8° | 110.6° |
| C7 | O4 | H9 | 109.5° | 114.1° |
| O5 | C8 | H10 | 114.0° | 110.4° |
| C8 | O5 | H11 | 109.5° | 114.0° |
| H2 | N3 | H3 | 120.0° | 119.9° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| P1 | O8 | H17 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P1 | O6 | O2 | 125.4° | 120.0° |
| O7 | P1 | O6 | O8 | 122.7° | 120.0° |
| O7 | P1 | O2 | O8 | 113.9° | 120.0° |
| O7 | P1 | O2 | C5 | 164.3° | 175.0° |
| O7 | P1 | O8 | H17 | 129.5° | 60.1° |
| O6 | P1 | O2 | O8 | 115.0° | 120.0° |
| O6 | P1 | O2 | C5 | 64.6° | 55.0° |
| O6 | P1 | O7 | H15 | 0.0° | 60.0° |
| O6 | P1 | O8 | H17 | 0.0° | 180.0° |
| P1 | O2 | C5 | C6 | 169.8° | 180.0° |
| P1 | O2 | C5 | H5 | 69.9° | 60.0° |
| P1 | O2 | C5 | H6 | 49.5° | 60.0° |
| O2 | P1 | O7 | H15 | 125.4° | 180.0° |
| O2 | P1 | O8 | H17 | 115.5° | 60.0° |
| C1 | C10 | N5 | H13 | 180.0° | 179.7° |
| C10 | C1 | N1 | H1 | 180.0° | 180.0° |
| C1 | C10 | N5 | C2 | 179.3° | 180.0° |
| C1 | C10 | N5 | C4 | 0.3° | 0.4° |
| C10 | C1 | N1 | C4 | 1.8° | 0.0° |
| C10 | C1 | N1 | C9 | 176.8° | 179.7° |
| N5 | C10 | C1 | N1 | 1.3° | 0.3° |
| C10 | N5 | C2 | O1 | 0.0° | 0.5° |
| C10 | N5 | C2 | C4 | 179.6° | 179.5° |
| C10 | N5 | C2 | N2 | 179.8° | 179.5° |
| C10 | N5 | C4 | N1 | 0.8° | 0.4° |
| C10 | N5 | C4 | N4 | 179.6° | 179.5° |
| N5 | C10 | C1 | H1 | 178.7° | 179.7° |
| C1 | N1 | C9 | O3 | 11.1° | 53.9° |
| C1 | N1 | C4 | N5 | 1.6° | 0.3° |
| C1 | N1 | C4 | C9 | 174.4° | 179.7° |
| C1 | N1 | C4 | N4 | 179.9° | 179.7° |
| C1 | N1 | C9 | C8 | 108.9° | 61.5° |
| C1 | N1 | C9 | H12 | 129.5° | 176.1° |
| N1 | C1 | C10 | H13 | 178.7° | 180.0° |
| O1 | C2 | N5 | N2 | 179.8° | 179.9° |
| O1 | C2 | N5 | C4 | 179.6° | 180.0° |
| O1 | C2 | N2 | C3 | 179.9° | 180.0° |
| O2 | C5 | C6 | H5 | 120.3° | 120.0° |
| O2 | C5 | C6 | H6 | 120.2° | 120.0° |
| O2 | C5 | C6 | O3 | 71.1° | 69.6° |
| O2 | C5 | C6 | C7 | 45.6° | 175.0° |
| O2 | C5 | H5 | H6 | 119.2° | 120.0° |
| O2 | C5 | C6 | H7 | 168.1° | 52.8° |
| C5 | O2 | P1 | O8 | 50.4° | 65.0° |
| C5 | C6 | O3 | C7 | 123.7° | 118.8° |
| C5 | C6 | O3 | H7 | 120.3° | 122.3° |
| C5 | C6 | O3 | C9 | 147.8° | 159.3° |
| C5 | C6 | C7 | H7 | 122.6° | 122.2° |
| C5 | C6 | C7 | C8 | 160.7° | 142.8° |
| C5 | C6 | C7 | O4 | 77.5° | 98.6° |
| C6 | C5 | H5 | H6 | 119.2° | 120.0° |
| C5 | C6 | C7 | H8 | 45.2° | 24.2° |
| C6 | O3 | C9 | N1 | 123.6° | 159.4° |
| O3 | C6 | C7 | H7 | 116.5° | 119.0° |
| C6 | O3 | C9 | C8 | 1.4° | 40.5° |
| O3 | C6 | C7 | C8 | 39.7° | 24.0° |
| O3 | C6 | C7 | O4 | 161.5° | 142.6° |
| O3 | C6 | C5 | H5 | 168.7° | 50.4° |
| O3 | C6 | C5 | H6 | 49.2° | 170.3° |
| O3 | C6 | C7 | H8 | 75.8° | 94.6° |
| C6 | O3 | C9 | H12 | 118.4° | 78.4° |
| O3 | C9 | N1 | C4 | 162.7° | 126.5° |
| O3 | C9 | N1 | C8 | 120.0° | 115.4° |
| O3 | C9 | N1 | H12 | 118.4° | 122.2° |
| C9 | O3 | C6 | C7 | 24.1° | 40.5° |
| O3 | C9 | C8 | H12 | 117.9° | 118.9° |
| O3 | C9 | C8 | C7 | 25.8° | 24.0° |
| O3 | C9 | C8 | O5 | 88.8° | 142.7° |
| C9 | O3 | C6 | H7 | 91.8° | 78.4° |
| O3 | C9 | C8 | H10 | 145.4° | 94.7° |
| C2 | N5 | C4 | N1 | 179.6° | 180.0° |
| C2 | N5 | C4 | N4 | 0.8° | 0.1° |
| N5 | C2 | N2 | C3 | 0.2° | 0.0° |
| C2 | N5 | C10 | H13 | 0.7° | 0.3° |
| C4 | N5 | C2 | N2 | 0.6° | 0.0° |
| N5 | C4 | N1 | N4 | 178.6° | 179.9° |
| N5 | C4 | N1 | C9 | 176.0° | 180.0° |
| N5 | C4 | N4 | C3 | 0.6° | 0.1° |
| C4 | N5 | C10 | H13 | 179.7° | 179.9° |
| C2 | N2 | C3 | N4 | 0.1° | 0.1° |
| C2 | N2 | C3 | N3 | 179.9° | 180.0° |
| C4 | N1 | C9 | C8 | 77.2° | 118.2° |
| N1 | C4 | N4 | C3 | 179.0° | 180.0° |
| C4 | N1 | C1 | H1 | 178.2° | 180.0° |
| C4 | N1 | C9 | H12 | 44.3° | 4.2° |
| C9 | N1 | C4 | N4 | 5.5° | 0.1° |
| N1 | C9 | C8 | H12 | 121.9° | 122.3° |
| N1 | C9 | C8 | C7 | 94.3° | 142.8° |
| N1 | C9 | C8 | O5 | 151.1° | 98.5° |
| C9 | N1 | C1 | H1 | 3.1° | 0.3° |
| N1 | C9 | C8 | H10 | 25.2° | 24.1° |
| C6 | C7 | C8 | C9 | 39.4° | 0.0° |
| C6 | C7 | C8 | O4 | 119.9° | 118.6° |
| C6 | C7 | C8 | H8 | 115.6° | 118.7° |
| C6 | C7 | O4 | H8 | 121.9° | 122.8° |
| C6 | C7 | C8 | O5 | 73.1° | 118.7° |
| C7 | C6 | C5 | H5 | 74.7° | 65.0° |
| C7 | C6 | C5 | H6 | 165.8° | 55.0° |
| C6 | C7 | O4 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | H10 | 158.9° | 118.8° |
| C4 | N4 | C3 | N2 | 0.3° | 0.1° |
| C4 | N4 | C3 | N3 | 179.9° | 180.0° |
| C9 | C8 | C7 | O5 | 112.4° | 118.7° |
| C9 | C8 | C7 | H10 | 119.5° | 118.8° |
| C9 | C8 | C7 | O4 | 159.3° | 118.7° |
| C9 | C8 | O5 | H10 | 124.8° | 122.7° |
| C9 | C8 | C7 | H8 | 76.3° | 118.7° |
| C9 | C8 | O5 | H11 | 180.0° | 176.0° |
| N2 | C3 | N4 | N3 | 179.8° | 179.9° |
| N2 | C3 | N3 | H2 | 0.0° | 0.0° |
| N2 | C3 | N3 | H3 | 180.0° | 180.0° |
| N4 | C3 | N3 | H2 | 179.8° | 179.9° |
| N4 | C3 | N3 | H3 | 0.1° | 0.1° |
| C3 | N3 | H2 | H3 | 180.0° | 179.9° |
| C8 | C7 | O4 | H8 | 123.5° | 122.6° |
| C7 | C8 | O5 | H10 | 127.1° | 122.6° |
| C8 | C7 | C6 | H7 | 76.8° | 95.0° |
| C8 | C7 | O4 | H9 | 65.4° | 65.4° |
| C7 | C8 | O5 | H11 | 71.9° | 61.4° |
| C7 | C8 | C9 | H12 | 143.8° | 94.9° |
| O4 | C7 | C8 | O5 | 46.9° | 0.0° |
| O4 | C7 | C6 | H7 | 45.0° | 23.6° |
| O4 | C7 | C8 | H10 | 81.2° | 122.5° |
| O5 | C8 | C7 | H8 | 171.3° | 122.7° |
| O5 | C8 | C9 | H12 | 29.2° | 23.8° |
| H1 | C1 | C10 | H13 | 1.3° | 0.0° |
| H5 | C5 | C6 | H7 | 47.8° | 172.8° |
| H6 | C5 | C6 | H7 | 71.7° | 67.3° |
| H7 | C6 | C7 | H8 | 167.7° | 146.4° |
| H8 | C7 | O4 | H9 | 58.1° | 57.2° |
| H8 | C7 | C8 | H10 | 43.2° | 0.1° |
| H10 | C8 | O5 | H11 | 55.2° | 61.2° |
| H10 | C8 | C9 | H12 | 96.7° | 146.4° |
| H15 | O7 | P1 | O8 | 123.2° | 60.0° |
