SV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.38Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| OAD | PBA | doub | 1.48Å | 1.51Å | |
| OAG | PBA | sing | 1.61Å | 1.57Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.47Å | 1.41Å | |
| C6 | N1 | sing | 1.34Å | 1.33Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| PBA | OAH | sing | 1.61Å | 1.57Å | |
| PBA | CAM | sing | 1.82Å | 1.83Å | |
| OAS | CAM | sing | 1.43Å | 1.40Å | |
| OAS | CAK | sing | 1.43Å | 1.38Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | |
| N9 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | CAN | sing | 1.47Å | 1.46Å | |
| C4 | N3 | sing | 1.37Å | 1.38Å | |
| CAK | CAX | sing | 1.53Å | 1.50Å | |
| CAN | CAX | sing | 1.53Å | 1.56Å | |
| C2 | N3 | sing | 1.36Å | 1.35Å | |
| C2 | N2 | sing | 1.37Å | 1.42Å | |
| CAX | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | OAR | sing | 1.43Å | 1.37Å | |
| OAR | CAL | sing | 1.43Å | 1.38Å | |
| CAL | PAZ | sing | 1.82Å | 1.83Å | |
| OAC | PAZ | doub | 1.48Å | 1.51Å | |
| PAZ | OAE | sing | 1.61Å | 1.57Å | |
| PAZ | OAF | sing | 1.61Å | 1.57Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAF | H2 | sing | 0.97Å | 0.95Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAX | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| OAG | H12 | sing | 0.97Å | 0.95Å | |
| OAH | H13 | sing | 0.97Å | 0.95Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 119.3° | 120.7° |
| O6 | C6 | N1 | 121.8° | 120.7° |
| C8 | N7 | C5 | 107.6° | 109.2° |
| N7 | C8 | N9 | 107.6° | 109.5° |
| N7 | C8 | H16 | 126.2° | 125.2° |
| N7 | C5 | C6 | 132.2° | 134.5° |
| N7 | C5 | C4 | 109.0° | 107.4° |
| OAD | PBA | OAG | 110.5° | 109.5° |
| OAD | PBA | OAH | 109.8° | 109.5° |
| OAD | PBA | CAM | 114.0° | 109.5° |
| OAG | PBA | OAH | 111.6° | 109.4° |
| OAG | PBA | CAM | 106.3° | 109.5° |
| PBA | OAG | H12 | 109.5° | 114.0° |
| C8 | N9 | C4 | 110.7° | 107.6° |
| C8 | N9 | CAN | 127.8° | 126.2° |
| N9 | C8 | H16 | 126.2° | 125.3° |
| C5 | C6 | N1 | 118.9° | 118.6° |
| C6 | C5 | C4 | 118.8° | 118.1° |
| C6 | N1 | C2 | 121.7° | 121.3° |
| C5 | C4 | N9 | 105.0° | 106.4° |
| C5 | C4 | N3 | 120.0° | 118.9° |
| OAH | PBA | CAM | 104.4° | 109.5° |
| PBA | OAH | H13 | 109.5° | 114.0° |
| PBA | CAM | OAS | 116.9° | 109.5° |
| PBA | CAM | H10 | 107.6° | 109.5° |
| PBA | CAM | H11 | 107.6° | 109.5° |
| CAM | OAS | CAK | 112.3° | 114.0° |
| OAS | CAM | H10 | 107.6° | 109.5° |
| OAS | CAM | H11 | 107.6° | 109.5° |
| OAS | CAK | CAX | 118.0° | 109.5° |
| OAS | CAK | H8 | 107.3° | 109.5° |
| OAS | CAK | H9 | 107.3° | 109.5° |
| N1 | C2 | N3 | 121.0° | 122.5° |
| N1 | C2 | N2 | 117.8° | 118.7° |
| C4 | N9 | CAN | 121.2° | 126.2° |
| N9 | C4 | N3 | 134.9° | 134.7° |
| N9 | CAN | CAX | 100.6° | 109.4° |
| N9 | CAN | H14 | 111.6° | 109.5° |
| N9 | CAN | H15 | 111.6° | 109.5° |
| C4 | N3 | C2 | 119.7° | 120.5° |
| C4 | N3 | H17 | 120.2° | 119.8° |
| CAK | CAX | CAN | 118.3° | 109.5° |
| CAK | CAX | CAJ | 110.2° | 109.4° |
| CAK | CAX | H7 | 100.8° | 109.5° |
| CAX | CAK | H8 | 107.3° | 109.4° |
| CAX | CAK | H9 | 107.3° | 109.5° |
| CAN | CAX | CAJ | 121.4° | 109.4° |
| CAN | CAX | H7 | 100.4° | 109.5° |
| CAX | CAN | H14 | 111.6° | 109.4° |
| CAX | CAN | H15 | 111.6° | 109.5° |
| N3 | C2 | N2 | 121.2° | 118.8° |
| C2 | N3 | H17 | 120.2° | 119.7° |
| C2 | N2 | H18 | 120.0° | 120.0° |
| C2 | N2 | H19 | 120.0° | 120.0° |
| CAX | CAJ | OAR | 117.4° | 109.4° |
| CAX | CAJ | H5 | 107.5° | 109.5° |
| CAX | CAJ | H6 | 107.5° | 109.4° |
| CAJ | CAX | H7 | 100.8° | 109.5° |
| CAJ | OAR | CAL | 113.1° | 114.0° |
| OAR | CAJ | H5 | 107.4° | 109.5° |
| OAR | CAJ | H6 | 107.5° | 109.5° |
| OAR | CAL | PAZ | 116.3° | 109.5° |
| OAR | CAL | H3 | 107.8° | 109.5° |
| OAR | CAL | H4 | 107.8° | 109.5° |
| CAL | PAZ | OAC | 109.5° | 109.5° |
| CAL | PAZ | OAE | 107.0° | 109.5° |
| CAL | PAZ | OAF | 108.1° | 109.5° |
| PAZ | CAL | H3 | 107.8° | 109.5° |
| PAZ | CAL | H4 | 107.7° | 109.5° |
| OAC | PAZ | OAE | 111.3° | 109.5° |
| OAC | PAZ | OAF | 110.9° | 109.5° |
| OAE | PAZ | OAF | 109.8° | 109.5° |
| PAZ | OAE | H1 | 109.5° | 114.0° |
| PAZ | OAF | H2 | 109.5° | 114.0° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H5 | CAJ | H6 | 109.5° | 109.5° |
| H8 | CAK | H9 | 109.5° | 109.5° |
| H10 | CAM | H11 | 109.5° | 109.4° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H18 | N2 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N7 | 0.1° | 0.0° |
| O6 | C6 | C5 | N1 | 179.8° | 179.8° |
| O6 | C6 | C5 | C4 | 179.7° | 180.0° |
| O6 | C6 | N1 | C2 | 179.3° | 179.7° |
| N7 | C8 | N9 | H16 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.7° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | C4 | 2.8° | 0.1° |
| N7 | C8 | N9 | CAN | 176.1° | 179.8° |
| C5 | N7 | C8 | N9 | 1.6° | 0.0° |
| N7 | C5 | C6 | C4 | 179.6° | 180.0° |
| N7 | C5 | C6 | N1 | 179.9° | 179.8° |
| N7 | C5 | C4 | N9 | 1.7° | 0.0° |
| N7 | C5 | C4 | N3 | 178.9° | 179.8° |
| C5 | N7 | C8 | H16 | 178.3° | 180.0° |
| OAD | PBA | OAG | OAH | 122.5° | 120.0° |
| OAD | PBA | OAG | CAM | 124.3° | 120.0° |
| OAD | PBA | OAH | CAM | 122.7° | 120.0° |
| OAD | PBA | CAM | OAS | 54.3° | 65.6° |
| OAD | PBA | CAM | H10 | 66.7° | 174.4° |
| OAD | PBA | CAM | H11 | 175.4° | 54.4° |
| OAD | PBA | OAG | H12 | 0.0° | 175.0° |
| OAD | PBA | OAH | H13 | 0.0° | 60.0° |
| OAG | PBA | OAH | CAM | 114.5° | 120.0° |
| OAG | PBA | CAM | OAS | 67.7° | 54.4° |
| OAG | PBA | CAM | H10 | 171.3° | 65.6° |
| OAG | PBA | CAM | H11 | 53.4° | 174.4° |
| OAG | PBA | OAH | H13 | 122.9° | 59.9° |
| C8 | N9 | C4 | C5 | 2.8° | 0.1° |
| C8 | N9 | C4 | CAN | 173.8° | 179.7° |
| C8 | N9 | C4 | N3 | 179.4° | 179.8° |
| C8 | N9 | CAN | CAX | 102.3° | 95.6° |
| C8 | N9 | CAN | H14 | 16.3° | 144.5° |
| C8 | N9 | CAN | H15 | 139.2° | 24.4° |
| C5 | C6 | N1 | C2 | 0.5° | 0.5° |
| C6 | C5 | C4 | N9 | 178.6° | 180.0° |
| C6 | C5 | C4 | N3 | 1.4° | 0.2° |
| N1 | C6 | C5 | C4 | 0.5° | 0.2° |
| C6 | N1 | C2 | N3 | 0.6° | 0.4° |
| C6 | N1 | C2 | N2 | 179.2° | 179.6° |
| C5 | C4 | N9 | N3 | 176.6° | 179.8° |
| C5 | C4 | N9 | CAN | 176.6° | 179.8° |
| C5 | C4 | N3 | C2 | 1.3° | 0.2° |
| C5 | C4 | N3 | H17 | 178.6° | 179.8° |
| OAH | PBA | CAM | OAS | 174.2° | 174.4° |
| OAH | PBA | CAM | H10 | 53.1° | 54.4° |
| OAH | PBA | CAM | H11 | 64.7° | 65.6° |
| OAH | PBA | OAG | H12 | 122.5° | 55.1° |
| PBA | CAM | OAS | H10 | 121.1° | 120.0° |
| PBA | CAM | OAS | H11 | 121.1° | 120.0° |
| PBA | CAM | OAS | CAK | 149.7° | 74.8° |
| PBA | CAM | H10 | H11 | 116.6° | 120.0° |
| CAM | PBA | OAG | H12 | 124.2° | 65.0° |
| CAM | PBA | OAH | H13 | 122.6° | 180.0° |
| CAM | OAS | CAK | CAX | 109.6° | 176.4° |
| CAM | OAS | CAK | H8 | 129.2° | 56.4° |
| CAM | OAS | CAK | H9 | 11.6° | 63.6° |
| OAS | CAM | H10 | H11 | 116.6° | 120.0° |
| OAS | CAK | CAX | H8 | 121.2° | 120.0° |
| OAS | CAK | CAX | H9 | 121.2° | 120.0° |
| OAS | CAK | CAX | CAN | 0.0° | 66.0° |
| OAS | CAK | CAX | CAJ | 145.9° | 174.1° |
| OAS | CAK | CAX | H7 | 108.2° | 54.1° |
| OAS | CAK | H8 | H9 | 116.2° | 120.0° |
| CAK | OAS | CAM | H10 | 28.6° | 165.1° |
| CAK | OAS | CAM | H11 | 89.2° | 45.2° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| N1 | C2 | N3 | N2 | 179.8° | 179.9° |
| N1 | C2 | N3 | H17 | 179.6° | 179.9° |
| N1 | C2 | N2 | H18 | 0.0° | 174.8° |
| N1 | C2 | N2 | H19 | 180.0° | 5.3° |
| C4 | N9 | CAN | CAX | 70.4° | 84.1° |
| N9 | C4 | N3 | C2 | 177.5° | 180.0° |
| C4 | N9 | CAN | H14 | 171.1° | 35.9° |
| C4 | N9 | CAN | H15 | 48.1° | 155.9° |
| C4 | N9 | C8 | H16 | 177.2° | 180.0° |
| N9 | C4 | N3 | H17 | 2.4° | 0.0° |
| CAN | N9 | C4 | N3 | 6.8° | 0.1° |
| N9 | CAN | CAX | CAK | 95.2° | 175.3° |
| N9 | CAN | CAX | H14 | 118.6° | 120.0° |
| N9 | CAN | CAX | H15 | 118.6° | 120.0° |
| N9 | CAN | CAX | CAJ | 122.9° | 64.7° |
| N9 | CAN | CAX | H7 | 13.2° | 55.3° |
| N9 | CAN | H14 | H15 | 124.1° | 120.1° |
| CAN | N9 | C8 | H16 | 3.9° | 0.3° |
| C4 | N3 | C2 | H17 | 180.0° | 180.0° |
| C4 | N3 | C2 | N2 | 179.9° | 180.0° |
| CAK | CAX | CAN | CAJ | 141.9° | 119.9° |
| CAK | CAX | CAN | H7 | 108.5° | 120.1° |
| CAK | CAX | CAJ | H7 | 105.9° | 120.0° |
| CAK | CAX | CAJ | OAR | 151.8° | 65.1° |
| CAK | CAX | CAJ | H5 | 87.1° | 55.0° |
| CAK | CAX | CAJ | H6 | 30.7° | 175.0° |
| CAX | CAK | H8 | H9 | 116.1° | 120.0° |
| CAK | CAX | CAN | H14 | 23.3° | 55.3° |
| CAK | CAX | CAN | H15 | 146.2° | 64.6° |
| CAN | CAX | CAJ | H7 | 109.5° | 120.0° |
| CAN | CAX | CAJ | OAR | 7.2° | 175.0° |
| CAN | CAX | CAJ | H5 | 128.3° | 65.0° |
| CAN | CAX | CAJ | H6 | 114.0° | 55.0° |
| CAN | CAX | CAK | H8 | 121.3° | 174.1° |
| CAN | CAX | CAK | H9 | 121.2° | 54.0° |
| CAX | CAN | H14 | H15 | 124.1° | 120.0° |
| N3 | C2 | N2 | H18 | 179.8° | 5.2° |
| N3 | C2 | N2 | H19 | 0.2° | 174.8° |
| N2 | C2 | N3 | H17 | 0.2° | 0.0° |
| C2 | N2 | H18 | H19 | 180.0° | 180.0° |
| CAX | CAJ | OAR | H5 | 121.1° | 120.0° |
| CAX | CAJ | OAR | H6 | 121.1° | 119.9° |
| CAX | CAJ | OAR | CAL | 123.9° | 180.0° |
| CAX | CAJ | H5 | H6 | 116.4° | 120.0° |
| CAJ | CAX | CAK | H8 | 92.9° | 54.1° |
| CAJ | CAX | CAK | H9 | 24.7° | 65.9° |
| CAJ | CAX | CAN | H14 | 118.6° | 175.3° |
| CAJ | CAX | CAN | H15 | 4.3° | 55.3° |
| CAJ | OAR | CAL | PAZ | 162.6° | 75.0° |
| CAJ | OAR | CAL | H3 | 76.4° | 45.0° |
| CAJ | OAR | CAL | H4 | 41.6° | 165.0° |
| OAR | CAJ | H5 | H6 | 116.4° | 120.1° |
| OAR | CAJ | CAX | H7 | 102.3° | 54.9° |
| OAR | CAL | PAZ | H3 | 121.0° | 120.0° |
| OAR | CAL | PAZ | H4 | 121.0° | 120.0° |
| OAR | CAL | PAZ | OAC | 40.7° | 60.0° |
| OAR | CAL | PAZ | OAE | 80.1° | 60.0° |
| OAR | CAL | PAZ | OAF | 161.7° | 180.0° |
| OAR | CAL | H3 | H4 | 116.9° | 120.0° |
| CAL | OAR | CAJ | H5 | 114.9° | 60.0° |
| CAL | OAR | CAJ | H6 | 2.8° | 60.1° |
| CAL | PAZ | OAC | OAE | 118.2° | 120.0° |
| CAL | PAZ | OAC | OAF | 119.3° | 120.0° |
| CAL | PAZ | OAE | OAF | 117.1° | 120.0° |
| CAL | PAZ | OAE | H1 | 119.6° | 60.0° |
| CAL | PAZ | OAF | H2 | 120.1° | 180.0° |
| PAZ | CAL | H3 | H4 | 116.9° | 120.0° |
| OAC | PAZ | OAE | OAF | 123.2° | 120.0° |
| OAC | PAZ | OAE | H1 | 0.0° | 180.0° |
| OAC | PAZ | OAF | H2 | 0.0° | 60.0° |
| OAC | PAZ | CAL | H3 | 161.7° | 180.0° |
| OAC | PAZ | CAL | H4 | 80.2° | 60.0° |
| OAE | PAZ | OAF | H2 | 123.5° | 60.0° |
| OAE | PAZ | CAL | H3 | 40.9° | 60.0° |
| OAE | PAZ | CAL | H4 | 158.9° | 180.0° |
| OAF | PAZ | OAE | H1 | 123.3° | 60.0° |
| OAF | PAZ | CAL | H3 | 77.3° | 60.0° |
| OAF | PAZ | CAL | H4 | 40.8° | 60.0° |
| H5 | CAJ | CAX | H7 | 18.9° | 175.0° |
| H6 | CAJ | CAX | H7 | 136.6° | 65.0° |
| H7 | CAX | CAK | H8 | 13.0° | 65.9° |
| H7 | CAX | CAK | H9 | 130.6° | 174.1° |
| H7 | CAX | CAN | H14 | 131.8° | 64.7° |
| H7 | CAX | CAN | H15 | 105.3° | 175.3° |
