YBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N2 | C2 | sing | 1.39Å | 1.34Å | |
| N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | C4 | sing | 1.46Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N | CG | sing | 1.47Å | 1.50Å | |
| C8 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.35Å | Aromatic |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.36Å | 1.35Å | |
| O2 | P | doub | 1.48Å | 1.52Å | |
| O1 | P | sing | 1.61Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| P | CA | sing | 1.82Å | 1.81Å | |
| P | O3 | sing | 1.61Å | 1.49Å | |
| OD | CD | sing | 1.43Å | 1.42Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| OD | H10 | sing | 0.97Å | 0.95Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | N | 118.8° | 109.5° |
| C10 | C9 | C4 | 127.8° | 126.5° |
| C10 | C9 | C8 | 127.6° | 126.5° |
| C9 | C10 | H13 | 107.1° | 109.5° |
| C9 | C10 | H14 | 107.1° | 109.5° |
| C10 | N | CG | 114.6° | 111.0° |
| C10 | N | H11 | 108.2° | 111.0° |
| N | C10 | H13 | 107.1° | 109.4° |
| N | C10 | H14 | 107.1° | 109.5° |
| N2 | C2 | N3 | 120.5° | 118.9° |
| N2 | C2 | N1 | 117.3° | 118.9° |
| C2 | N2 | H18 | 109.5° | 120.0° |
| C2 | N2 | H19 | 109.5° | 120.0° |
| C2 | N3 | C4 | 116.8° | 120.3° |
| N3 | C2 | N1 | 122.3° | 122.2° |
| N3 | C4 | C9 | 128.0° | 134.8° |
| N3 | C4 | C5 | 122.5° | 119.2° |
| C2 | N1 | C6 | 121.6° | 121.3° |
| C4 | C9 | C8 | 104.3° | 107.1° |
| C9 | C4 | C5 | 109.5° | 106.0° |
| C9 | C8 | N7 | 110.1° | 109.9° |
| C9 | C8 | H15 | 125.0° | 125.1° |
| C4 | C5 | C6 | 118.6° | 118.3° |
| C4 | C5 | N7 | 107.4° | 107.3° |
| N | CG | CB | 114.7° | 109.5° |
| N | CG | CD | 108.6° | 109.5° |
| N | CG | H7 | 108.4° | 109.5° |
| CG | N | H11 | 108.2° | 111.0° |
| C8 | N7 | C5 | 108.6° | 109.8° |
| N7 | C8 | H15 | 124.9° | 125.0° |
| C8 | N7 | H16 | 125.7° | 125.1° |
| N1 | C6 | C5 | 118.3° | 118.8° |
| N1 | C6 | O6 | 120.1° | 120.6° |
| C6 | C5 | N7 | 134.0° | 134.4° |
| C5 | C6 | O6 | 121.6° | 120.6° |
| C5 | N7 | H16 | 125.7° | 125.1° |
| CG | CB | CA | 107.9° | 109.5° |
| CB | CG | CD | 108.7° | 109.5° |
| CG | CB | H5 | 109.9° | 109.4° |
| CG | CB | H6 | 109.9° | 109.5° |
| CB | CG | H7 | 108.0° | 109.5° |
| CB | CA | P | 113.8° | 109.5° |
| CB | CA | H3 | 108.4° | 109.5° |
| CB | CA | H4 | 108.4° | 109.5° |
| CA | CB | H5 | 109.9° | 109.5° |
| CA | CB | H6 | 109.9° | 109.5° |
| C6 | O6 | H12 | 109.5° | 113.9° |
| O2 | P | O1 | 111.1° | 109.5° |
| O2 | P | CA | 113.4° | 109.5° |
| O2 | P | O3 | 108.1° | 109.5° |
| O1 | P | CA | 106.9° | 109.5° |
| O1 | P | O3 | 112.3° | 109.4° |
| P | O1 | H1 | 109.5° | 114.0° |
| CG | CD | OD | 108.3° | 109.5° |
| CD | CG | H7 | 108.2° | 109.5° |
| CG | CD | H8 | 109.7° | 109.5° |
| CG | CD | H9 | 109.8° | 109.5° |
| CA | P | O3 | 105.0° | 109.5° |
| P | CA | H3 | 108.4° | 109.5° |
| P | CA | H4 | 108.4° | 109.4° |
| P | O3 | H2 | 109.5° | 114.1° |
| OD | CD | H8 | 109.8° | 109.4° |
| OD | CD | H9 | 109.7° | 109.5° |
| CD | OD | H10 | 109.5° | 114.0° |
| H3 | CA | H4 | 109.4° | 109.4° |
| H5 | CB | H6 | 109.4° | 109.5° |
| H8 | CD | H9 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H18 | N2 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | N | H13 | 121.3° | 120.0° |
| C9 | C10 | N | H14 | 121.3° | 120.0° |
| C10 | C9 | C4 | N3 | 4.2° | 0.0° |
| C10 | C9 | C4 | C8 | 174.2° | 179.8° |
| C10 | C9 | C4 | C5 | 176.2° | 179.8° |
| C9 | C10 | N | CG | 53.3° | 180.0° |
| C10 | C9 | C8 | N7 | 176.8° | 180.0° |
| C9 | C10 | N | H11 | 174.0° | 56.0° |
| C9 | C10 | H13 | H14 | 115.8° | 120.0° |
| C10 | C9 | C8 | H15 | 3.1° | 0.0° |
| N | C10 | C9 | C4 | 98.6° | 80.0° |
| N | C10 | C9 | C8 | 88.5° | 99.7° |
| C10 | N | CG | H11 | 120.8° | 124.0° |
| C10 | N | CG | CB | 53.0° | 155.0° |
| C10 | N | CG | CD | 174.9° | 85.0° |
| C10 | N | CG | H7 | 67.8° | 35.0° |
| N | C10 | H13 | H14 | 115.8° | 120.0° |
| N2 | C2 | N3 | N1 | 179.0° | 179.2° |
| N2 | C2 | N3 | C4 | 179.0° | 180.0° |
| N2 | C2 | N1 | C6 | 178.6° | 179.6° |
| C2 | N2 | H18 | H19 | 120.0° | 180.0° |
| C2 | N3 | C4 | C9 | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.3° |
| N3 | C2 | N1 | C6 | 0.4° | 1.2° |
| N3 | C2 | N2 | H18 | 0.0° | 0.1° |
| N3 | C2 | N2 | H19 | 120.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.9° |
| N3 | C4 | C9 | C5 | 179.6° | 179.8° |
| N3 | C4 | C9 | C8 | 178.3° | 179.8° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 179.8° |
| C2 | N1 | C6 | C5 | 0.9° | 0.9° |
| C2 | N1 | C6 | O6 | 179.7° | 179.2° |
| N1 | C2 | N2 | H18 | 179.0° | 179.3° |
| N1 | C2 | N2 | H19 | 59.0° | 0.7° |
| C4 | C9 | C8 | N7 | 2.6° | 0.3° |
| C9 | C4 | C5 | C6 | 179.7° | 179.9° |
| C9 | C4 | C5 | N7 | 0.8° | 0.4° |
| C4 | C9 | C10 | H13 | 140.0° | 39.9° |
| C4 | C9 | C10 | H14 | 22.7° | 160.0° |
| C4 | C9 | C8 | H15 | 177.3° | 179.8° |
| C8 | C9 | C4 | C5 | 2.1° | 0.4° |
| C9 | C8 | N7 | H15 | 180.0° | 179.9° |
| C9 | C8 | N7 | C5 | 2.3° | 0.0° |
| C8 | C9 | C10 | H13 | 32.9° | 140.3° |
| C8 | C9 | C10 | H14 | 150.2° | 20.3° |
| C9 | C8 | N7 | H16 | 177.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.9° | 0.2° |
| C4 | C5 | C6 | N1 | 1.0° | 0.3° |
| C4 | C5 | C6 | N7 | 178.6° | 179.7° |
| C4 | C5 | C6 | O6 | 179.6° | 179.7° |
| C4 | C5 | N7 | H16 | 179.1° | 179.7° |
| N | CG | CB | CD | 121.8° | 120.0° |
| N | CG | CB | H7 | 121.0° | 120.0° |
| N | CG | CB | CA | 168.3° | 65.0° |
| N | CG | CD | H7 | 117.5° | 120.0° |
| N | CG | CD | OD | 34.6° | 65.0° |
| N | CG | CB | H5 | 48.6° | 175.0° |
| N | CG | CB | H6 | 71.9° | 55.0° |
| N | CG | CD | H8 | 154.4° | 55.0° |
| N | CG | CD | H9 | 85.2° | 175.0° |
| CG | N | C10 | H13 | 68.1° | 60.0° |
| CG | N | C10 | H14 | 174.6° | 60.0° |
| C8 | N7 | C5 | C6 | 177.8° | 179.9° |
| C8 | N7 | C5 | H16 | 180.0° | 180.0° |
| N1 | C6 | C5 | O6 | 179.4° | 179.9° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N1 | C6 | O6 | H12 | 0.0° | 90.1° |
| C6 | C5 | N7 | H16 | 2.1° | 0.0° |
| C5 | C6 | O6 | H12 | 179.4° | 90.0° |
| N7 | C5 | C6 | O6 | 1.0° | 0.1° |
| C5 | N7 | C8 | H15 | 177.7° | 180.0° |
| CG | CB | CA | H5 | 119.7° | 120.0° |
| CG | CB | CA | H6 | 119.8° | 120.0° |
| CB | CG | CD | H7 | 117.1° | 120.0° |
| CG | CB | CA | P | 173.4° | 180.0° |
| CB | CG | CD | OD | 160.0° | 55.0° |
| CG | CB | CA | H3 | 65.9° | 60.0° |
| CG | CB | CA | H4 | 52.8° | 60.0° |
| CG | CB | H5 | H6 | 120.7° | 120.0° |
| CB | CG | CD | H8 | 80.1° | 175.0° |
| CB | CG | CD | H9 | 40.2° | 65.0° |
| CB | CG | N | H11 | 67.7° | 31.0° |
| CB | CA | P | O2 | 59.3° | 55.0° |
| CB | CA | P | O1 | 63.4° | 65.0° |
| CA | CB | CG | CD | 69.9° | 175.0° |
| CB | CA | P | H3 | 120.7° | 120.0° |
| CB | CA | P | H4 | 120.7° | 120.0° |
| CB | CA | P | O3 | 177.1° | 175.0° |
| CB | CA | H3 | H4 | 118.0° | 120.0° |
| CA | CB | H5 | H6 | 120.7° | 120.1° |
| CA | CB | CG | H7 | 47.3° | 55.0° |
| O2 | P | O1 | CA | 124.1° | 120.0° |
| O2 | P | O1 | O3 | 121.2° | 120.0° |
| O2 | P | CA | O3 | 117.8° | 120.0° |
| O2 | P | O1 | H1 | 0.0° | 180.0° |
| O2 | P | O3 | H2 | 0.0° | 59.9° |
| O2 | P | CA | H3 | 180.0° | 65.0° |
| O2 | P | CA | H4 | 61.3° | 175.0° |
| O1 | P | CA | O3 | 119.5° | 120.0° |
| O1 | P | O3 | H2 | 122.9° | 60.1° |
| O1 | P | CA | H3 | 57.2° | 174.9° |
| O1 | P | CA | H4 | 175.9° | 55.0° |
| CG | CD | OD | H8 | 119.8° | 120.0° |
| CG | CD | OD | H9 | 119.8° | 120.0° |
| CD | CG | CB | H5 | 170.4° | 55.0° |
| CD | CG | CB | H6 | 49.9° | 65.0° |
| CG | CD | H8 | H9 | 120.5° | 120.0° |
| CG | CD | OD | H10 | 180.0° | 180.0° |
| CD | CG | N | H11 | 54.2° | 151.0° |
| CA | P | O1 | H1 | 124.1° | 60.0° |
| CA | P | O3 | H2 | 121.3° | 179.9° |
| P | CA | H3 | H4 | 118.0° | 120.0° |
| P | CA | CB | H5 | 53.7° | 60.0° |
| P | CA | CB | H6 | 66.8° | 60.0° |
| O3 | P | O1 | H1 | 121.2° | 60.0° |
| O3 | P | CA | H3 | 62.3° | 55.0° |
| O3 | P | CA | H4 | 56.4° | 65.0° |
| OD | CD | CG | H7 | 82.9° | 175.0° |
| OD | CD | H8 | H9 | 120.5° | 120.0° |
| H3 | CA | CB | H5 | 174.3° | 180.0° |
| H3 | CA | CB | H6 | 53.9° | 60.0° |
| H4 | CA | CB | H5 | 67.0° | 59.9° |
| H4 | CA | CB | H6 | 172.5° | 180.0° |
| H5 | CB | CG | H7 | 72.5° | 65.0° |
| H6 | CB | CG | H7 | 167.1° | 175.0° |
| H7 | CG | CD | H8 | 37.0° | 65.0° |
| H7 | CG | CD | H9 | 157.3° | 55.0° |
| H7 | CG | N | H11 | 171.5° | 89.0° |
| H8 | CD | OD | H10 | 60.2° | 60.0° |
| H9 | CD | OD | H10 | 60.2° | 60.0° |
| H11 | N | C10 | H13 | 52.7° | 64.0° |
| H11 | N | C10 | H14 | 64.6° | 176.0° |
| H15 | C8 | N7 | H16 | 2.3° | 0.0° |
