50N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | N3 | sing | 1.22Å | 1.48Å | |
| N2 | C2 | sing | 1.39Å | 1.33Å | |
| N3 | O9 | doub | 1.22Å | 1.43Å | |
| N3 | C3 | sing | 1.48Å | 1.35Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| OP1 | P1 | doub | 1.48Å | 1.49Å | |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| C1 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| P1 | OP2 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.61Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| O4 | C5 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.51Å | 1.38Å | |
| C8 | C9 | sing | 1.54Å | 1.55Å | |
| C8 | O7 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C9 | O5 | sing | 1.44Å | 1.42Å | |
| C6 | O5 | sing | 1.44Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| P1 | OP3 | sing | 1.61Å | 31.51Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | N3 | O9 | 119.3° | 120.0° |
| O8 | N3 | C3 | 121.2° | 120.0° |
| N2 | C2 | C3 | 117.3° | 119.7° |
| N2 | C2 | N1 | 120.8° | 119.6° |
| C2 | N2 | H13 | 109.5° | 120.0° |
| C2 | N2 | H14 | 109.5° | 120.0° |
| O9 | N3 | C3 | 119.1° | 120.0° |
| N3 | C3 | C2 | 117.5° | 120.4° |
| N3 | C3 | C4 | 123.4° | 120.4° |
| C3 | C2 | N1 | 121.9° | 120.7° |
| C2 | C3 | C4 | 119.1° | 119.2° |
| C2 | N1 | C1 | 120.8° | 121.5° |
| C3 | C4 | C10 | 117.8° | 118.5° |
| C3 | C4 | H1 | 121.1° | 120.7° |
| OP1 | P1 | OP2 | 117.6° | 109.4° |
| OP1 | P1 | O4 | 113.4° | 109.5° |
| OP1 | P1 | OP3 | 67.0° | 109.5° |
| N1 | C1 | C10 | 119.8° | 120.8° |
| N1 | C1 | O1 | 121.2° | 119.6° |
| C4 | C10 | C1 | 120.6° | 119.3° |
| C4 | C10 | C9 | 121.7° | 120.4° |
| C10 | C4 | H1 | 121.1° | 120.7° |
| O6 | C7 | C8 | 113.7° | 110.9° |
| O6 | C7 | C6 | 113.2° | 110.9° |
| O6 | C7 | H7 | 110.0° | 110.8° |
| C7 | O6 | H8 | 109.5° | 113.9° |
| C10 | C1 | O1 | 118.9° | 119.6° |
| C1 | C10 | C9 | 117.7° | 120.4° |
| C1 | O1 | H15 | 109.5° | 114.0° |
| OP2 | P1 | O4 | 108.9° | 109.5° |
| P1 | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P1 | OP3 | 90.9° | 109.5° |
| P1 | O4 | C5 | 120.3° | 123.0° |
| O4 | P1 | OP3 | 67.5° | 109.5° |
| C8 | C7 | C6 | 102.4° | 102.1° |
| C7 | C8 | C9 | 101.6° | 104.2° |
| C7 | C8 | O7 | 111.5° | 110.5° |
| C8 | C7 | H7 | 108.6° | 110.9° |
| C7 | C8 | H9 | 110.7° | 110.5° |
| C7 | C6 | C5 | 118.1° | 110.6° |
| C7 | C6 | O5 | 104.0° | 103.5° |
| C7 | C6 | H6 | 106.9° | 110.8° |
| C6 | C7 | H7 | 108.6° | 110.9° |
| O4 | C5 | C6 | 114.2° | 109.5° |
| O4 | C5 | H4 | 108.3° | 109.4° |
| O4 | C5 | H5 | 108.3° | 109.5° |
| C10 | C9 | C8 | 104.9° | 109.9° |
| C10 | C9 | O5 | 111.8° | 109.9° |
| C10 | C9 | H11 | 111.7° | 110.0° |
| C9 | C8 | O7 | 109.5° | 110.5° |
| C8 | C9 | O5 | 108.0° | 107.3° |
| C9 | C8 | H9 | 110.5° | 110.5° |
| C8 | C9 | H11 | 109.3° | 109.9° |
| O7 | C8 | H9 | 112.5° | 110.5° |
| C8 | O7 | H10 | 109.5° | 114.0° |
| C5 | C6 | O5 | 112.4° | 110.6° |
| C6 | C5 | H4 | 108.3° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H6 | 107.0° | 110.5° |
| C9 | O5 | C6 | 109.3° | 106.9° |
| O5 | C9 | H11 | 111.0° | 109.9° |
| O5 | C6 | H6 | 107.8° | 110.6° |
| H4 | C5 | H5 | 109.4° | 109.4° |
| H13 | N2 | H14 | 109.5° | 120.0° |
| P1 | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | N3 | O9 | C3 | 172.2° | 180.0° |
| O8 | N3 | C3 | C2 | 7.1° | 142.6° |
| O8 | N3 | C3 | C4 | 175.2° | 37.4° |
| N2 | C2 | C3 | N3 | 1.9° | 0.0° |
| N2 | C2 | C3 | N1 | 179.5° | 180.0° |
| N2 | C2 | C3 | C4 | 179.7° | 180.0° |
| N2 | C2 | N1 | C1 | 179.9° | 180.0° |
| C2 | N2 | H13 | H14 | 120.0° | 180.0° |
| O9 | N3 | C3 | C2 | 164.9° | 37.4° |
| O9 | N3 | C3 | C4 | 12.8° | 142.6° |
| N3 | C3 | C2 | C4 | 177.8° | 180.0° |
| N3 | C3 | C2 | N1 | 177.6° | 180.0° |
| N3 | C3 | C4 | C10 | 177.6° | 180.0° |
| N3 | C3 | C4 | H1 | 2.4° | 0.0° |
| C3 | C2 | N1 | C1 | 0.4° | 0.0° |
| C2 | C3 | C4 | C10 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C2 | N2 | H13 | 179.5° | 7.7° |
| C3 | C2 | N2 | H14 | 59.5° | 172.2° |
| N1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C1 | C10 | 0.5° | 0.1° |
| C2 | N1 | C1 | O1 | 178.8° | 179.8° |
| N1 | C2 | N2 | H13 | 0.0° | 172.3° |
| N1 | C2 | N2 | H14 | 120.0° | 7.8° |
| C3 | C4 | C10 | H1 | 180.0° | 180.0° |
| C3 | C4 | C10 | C1 | 0.3° | 0.0° |
| C3 | C4 | C10 | C9 | 177.9° | 179.8° |
| OP1 | P1 | OP2 | O4 | 130.8° | 120.0° |
| OP1 | P1 | OP2 | OP3 | 64.4° | 120.0° |
| OP1 | P1 | O4 | OP3 | 50.2° | 120.0° |
| OP1 | P1 | O4 | C5 | 179.9° | 55.0° |
| OP1 | P1 | OP2 | HOP2 | 0.0° | 179.9° |
| OP1 | P1 | OP3 | HOP3 | 90.0° | 60.0° |
| N1 | C1 | C10 | C4 | 0.5° | 0.0° |
| N1 | C1 | C10 | O1 | 179.4° | 179.7° |
| N1 | C1 | C10 | C9 | 178.2° | 179.7° |
| N1 | C1 | O1 | H15 | 0.0° | 89.7° |
| C4 | C10 | C1 | C9 | 177.7° | 179.8° |
| C4 | C10 | C1 | O1 | 178.9° | 179.8° |
| C4 | C10 | C9 | C8 | 105.0° | 95.2° |
| C4 | C10 | C9 | O5 | 11.8° | 22.6° |
| C4 | C10 | C9 | H11 | 136.8° | 143.7° |
| O6 | C7 | C8 | C6 | 122.5° | 118.2° |
| O6 | C7 | C8 | H7 | 122.7° | 123.6° |
| O6 | C7 | C6 | H7 | 122.5° | 123.6° |
| O6 | C7 | C8 | C9 | 156.7° | 139.1° |
| O6 | C7 | C8 | O7 | 40.1° | 20.4° |
| O6 | C7 | C6 | C5 | 74.0° | 86.3° |
| O6 | C7 | C6 | O5 | 160.6° | 155.3° |
| O6 | C7 | C6 | H6 | 46.6° | 36.7° |
| O6 | C7 | C8 | H9 | 86.0° | 102.3° |
| C1 | C10 | C9 | C8 | 72.7° | 85.0° |
| C1 | C10 | C9 | O5 | 170.6° | 157.2° |
| C1 | C10 | C4 | H1 | 179.7° | 180.0° |
| C1 | C10 | C9 | H11 | 45.5° | 36.1° |
| C10 | C1 | O1 | H15 | 179.4° | 90.0° |
| O1 | C1 | C10 | C9 | 1.2° | 0.0° |
| OP2 | P1 | O4 | OP3 | 82.9° | 120.0° |
| OP2 | P1 | O4 | C5 | 47.0° | 65.0° |
| OP2 | P1 | OP3 | HOP3 | 90.0° | 60.0° |
| P1 | O4 | C5 | C6 | 170.3° | 180.0° |
| O4 | P1 | OP2 | HOP2 | 130.9° | 60.1° |
| P1 | O4 | C5 | H4 | 68.9° | 60.0° |
| P1 | O4 | C5 | H5 | 49.6° | 59.9° |
| O4 | P1 | OP3 | HOP3 | 90.0° | 180.0° |
| C8 | C7 | C6 | H7 | 114.7° | 118.2° |
| C7 | C8 | C9 | C10 | 99.8° | 121.5° |
| C7 | C8 | C9 | O7 | 118.1° | 118.7° |
| C7 | C8 | C9 | H9 | 117.6° | 118.7° |
| C7 | C8 | O7 | H9 | 125.1° | 122.6° |
| C8 | C7 | C6 | C5 | 163.2° | 155.5° |
| C7 | C8 | C9 | O5 | 19.5° | 2.0° |
| C8 | C7 | C6 | O5 | 37.8° | 37.0° |
| C8 | C7 | C6 | H6 | 76.2° | 81.6° |
| C8 | C7 | O6 | H8 | 180.0° | 61.5° |
| C7 | C8 | O7 | H10 | 180.0° | 61.4° |
| C7 | C8 | C9 | H11 | 140.4° | 117.4° |
| C7 | C6 | C5 | O4 | 60.1° | 179.5° |
| C6 | C7 | C8 | C9 | 34.1° | 20.9° |
| C6 | C7 | C8 | O7 | 82.4° | 97.8° |
| C7 | C6 | C5 | O5 | 121.2° | 114.1° |
| C7 | C6 | C5 | H6 | 120.6° | 123.1° |
| C7 | C6 | O5 | C9 | 26.3° | 40.1° |
| C7 | C6 | O5 | H6 | 113.3° | 118.7° |
| C7 | C6 | C5 | H4 | 60.6° | 60.5° |
| C7 | C6 | C5 | H5 | 179.1° | 59.5° |
| C6 | C7 | O6 | H8 | 63.7° | 174.2° |
| C6 | C7 | C8 | H9 | 151.5° | 139.6° |
| O4 | C5 | C6 | H4 | 120.7° | 120.0° |
| O4 | C5 | C6 | H5 | 120.7° | 120.0° |
| O4 | C5 | C6 | O5 | 61.1° | 66.4° |
| O4 | C5 | H4 | H5 | 117.8° | 120.0° |
| O4 | C5 | C6 | H6 | 179.3° | 56.4° |
| C5 | O4 | P1 | OP3 | 129.8° | 175.0° |
| C10 | C9 | C8 | O5 | 119.3° | 119.4° |
| C10 | C9 | C8 | H11 | 119.8° | 121.2° |
| C10 | C9 | C8 | O7 | 142.1° | 119.9° |
| C10 | C9 | O5 | H11 | 125.4° | 121.2° |
| C10 | C9 | O5 | C6 | 118.9° | 145.9° |
| C9 | C10 | C4 | H1 | 2.1° | 0.2° |
| C10 | C9 | C8 | H9 | 17.8° | 2.8° |
| C9 | C8 | O7 | H9 | 123.2° | 122.6° |
| C8 | C9 | O5 | H11 | 119.8° | 119.4° |
| C8 | C9 | O5 | C6 | 4.1° | 26.5° |
| C9 | C8 | C7 | H7 | 80.6° | 97.3° |
| C9 | C8 | O7 | H10 | 68.3° | 176.2° |
| O7 | C8 | C9 | O5 | 98.5° | 120.7° |
| O7 | C8 | C7 | H7 | 162.8° | 144.0° |
| O7 | C8 | C9 | H11 | 22.3° | 1.3° |
| C5 | C6 | O5 | C9 | 155.3° | 158.6° |
| C5 | C6 | O5 | H6 | 117.7° | 122.8° |
| C6 | C5 | H4 | H5 | 117.9° | 120.0° |
| C5 | C6 | C7 | H7 | 48.4° | 37.3° |
| C9 | O5 | C6 | H6 | 87.0° | 78.6° |
| O5 | C9 | C8 | H9 | 137.1° | 116.6° |
| O5 | C6 | C5 | H4 | 178.2° | 53.5° |
| O5 | C6 | C5 | H5 | 59.6° | 173.5° |
| O5 | C6 | C7 | H7 | 77.0° | 81.2° |
| C6 | O5 | C9 | H11 | 115.7° | 92.9° |
| HOP2 | OP2 | P1 | OP3 | 64.4° | 60.0° |
| H4 | C5 | C6 | H6 | 60.0° | 176.4° |
| H5 | C5 | C6 | H6 | 58.6° | 63.6° |
| H6 | C6 | C7 | H7 | 169.1° | 160.2° |
| H7 | C7 | O6 | H8 | 58.0° | 62.2° |
| H7 | C7 | C8 | H9 | 36.8° | 21.4° |
| H9 | C8 | O7 | H10 | 54.9° | 61.2° |
| H9 | C8 | C9 | H11 | 102.1° | 123.9° |
