18V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAM | sing | 1.53Å | 1.53Å | |
| CAJ | CAA | sing | 1.53Å | 1.53Å | |
| CAM | CBC | sing | 1.51Å | 1.53Å | |
| SAU | CBC | sing | 1.76Å | 1.59Å | Aromatic |
| SAU | CBD | sing | 1.76Å | 1.65Å | Aromatic |
| CBC | CBB | doub | 1.34Å | 1.33Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | OAR | sing | 1.43Å | 1.44Å | |
| CAG | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| NAC | C6 | sing | 1.39Å | 1.34Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| CBD | CAX | sing | 1.48Å | 1.34Å | |
| CBD | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| NAD | C4 | sing | 1.39Å | 1.33Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| CAX | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | SAT | sing | 1.76Å | 1.75Å | |
| CBB | NAQ | sing | 1.31Å | 1.34Å | Aromatic |
| CBB | CAN | sing | 1.51Å | 1.52Å | |
| CAZ | OAR | sing | 1.36Å | 1.37Å | |
| CAZ | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| SAT | CAN | sing | 1.81Å | 1.82Å | |
| CAI | CBA | sing | 1.38Å | 1.41Å | Aromatic |
| CBA | OAS | sing | 1.36Å | 1.36Å | |
| OAS | CAL | sing | 1.43Å | 1.43Å | |
| CAL | CAK | sing | 1.53Å | 1.53Å | |
| CAK | FAE | sing | 1.40Å | 1.47Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| NAC | H20 | sing | 0.97Å | 1.00Å | |
| NAC | H21 | sing | 0.97Å | 1.00Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| NAD | H23 | sing | 0.97Å | 1.00Å | |
| NAD | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAJ | CAA | 109.7° | 109.5° |
| CAJ | CAM | CBC | 109.9° | 109.4° |
| CAJ | CAM | H11 | 109.4° | 109.5° |
| CAJ | CAM | H12 | 109.4° | 109.4° |
| CAM | CAJ | H13 | 109.4° | 109.5° |
| CAM | CAJ | H14 | 109.4° | 109.4° |
| CAA | CAJ | H13 | 109.4° | 109.5° |
| CAA | CAJ | H14 | 109.4° | 109.4° |
| CAJ | CAA | H15 | 109.5° | 109.5° |
| CAJ | CAA | H16 | 109.5° | 109.5° |
| CAJ | CAA | H17 | 109.5° | 109.5° |
| CAM | CBC | SAU | 125.4° | 125.9° |
| CAM | CBC | CBB | 126.5° | 125.9° |
| CBC | CAM | H11 | 109.3° | 109.5° |
| CBC | CAM | H12 | 109.4° | 109.5° |
| CBC | SAU | CBD | 96.6° | 89.9° |
| SAU | CBC | CBB | 108.1° | 108.3° |
| SAU | CBD | CAX | 127.2° | 125.5° |
| SAU | CBD | NAQ | 107.8° | 109.0° |
| CBC | CBB | NAQ | 114.9° | 115.8° |
| CBC | CBB | CAN | 123.9° | 122.1° |
| CAG | CAF | CAX | 121.8° | 120.0° |
| CAF | CAG | CAZ | 118.7° | 120.2° |
| CAF | CAG | H9 | 120.6° | 120.0° |
| CAG | CAF | H10 | 119.1° | 120.0° |
| CAF | CAX | CBD | 119.2° | 120.0° |
| CAF | CAX | CAI | 119.0° | 119.9° |
| CAX | CAF | H10 | 119.1° | 120.0° |
| CAB | OAR | CAZ | 118.3° | 117.0° |
| OAR | CAB | H6 | 109.5° | 109.4° |
| OAR | CAB | H7 | 109.5° | 109.5° |
| OAR | CAB | H8 | 109.5° | 109.4° |
| CAG | CAZ | OAR | 124.5° | 119.9° |
| CAG | CAZ | CBA | 120.2° | 120.1° |
| CAZ | CAG | H9 | 120.7° | 119.9° |
| NAC | C6 | C5 | 120.6° | 120.4° |
| NAC | C6 | N1 | 120.6° | 120.4° |
| C6 | NAC | H20 | 109.5° | 120.0° |
| C6 | NAC | H21 | 109.4° | 120.0° |
| C6 | C5 | C4 | 117.7° | 118.4° |
| C5 | C6 | N1 | 118.8° | 119.2° |
| C6 | C5 | H22 | 121.2° | 120.8° |
| C5 | C4 | NAD | 120.1° | 120.4° |
| C5 | C4 | N3 | 120.9° | 119.1° |
| C4 | C5 | H22 | 121.1° | 120.8° |
| C6 | N1 | C2 | 122.0° | 120.8° |
| CAX | CBD | NAQ | 125.0° | 125.5° |
| CBD | CAX | CAI | 121.7° | 120.1° |
| CBD | NAQ | CBB | 112.6° | 117.0° |
| NAD | C4 | N3 | 119.0° | 120.4° |
| C4 | NAD | H23 | 109.5° | 120.0° |
| C4 | NAD | H24 | 109.5° | 120.0° |
| C4 | N3 | C2 | 120.2° | 120.8° |
| N1 | C2 | N3 | 120.4° | 121.7° |
| N1 | C2 | SAT | 119.0° | 119.1° |
| CAX | CAI | CBA | 119.1° | 119.8° |
| CAX | CAI | H5 | 120.4° | 120.0° |
| N3 | C2 | SAT | 120.6° | 119.2° |
| C2 | SAT | CAN | 104.3° | 100.0° |
| NAQ | CBB | CAN | 121.1° | 122.1° |
| CBB | CAN | SAT | 108.7° | 109.5° |
| CBB | CAN | H18 | 109.7° | 109.5° |
| CBB | CAN | H19 | 109.7° | 109.4° |
| OAR | CAZ | CBA | 115.3° | 120.0° |
| CAZ | CBA | CAI | 121.2° | 120.0° |
| CAZ | CBA | OAS | 113.2° | 120.0° |
| SAT | CAN | H18 | 109.7° | 109.5° |
| SAT | CAN | H19 | 109.7° | 109.5° |
| CAI | CBA | OAS | 125.6° | 120.0° |
| CBA | CAI | H5 | 120.5° | 120.2° |
| CBA | OAS | CAL | 120.0° | 117.0° |
| OAS | CAL | CAK | 106.1° | 109.4° |
| OAS | CAL | H3 | 110.3° | 109.5° |
| OAS | CAL | H4 | 110.3° | 109.4° |
| CAL | CAK | FAE | 109.9° | 109.5° |
| CAL | CAK | H1 | 109.4° | 109.5° |
| CAL | CAK | H2 | 109.4° | 109.4° |
| CAK | CAL | H3 | 110.3° | 109.5° |
| CAK | CAL | H4 | 110.3° | 109.5° |
| FAE | CAK | H1 | 109.4° | 109.5° |
| FAE | CAK | H2 | 109.4° | 109.4° |
| H1 | CAK | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.4° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H8 | 109.5° | 109.5° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H11 | CAM | H12 | 109.5° | 109.5° |
| H13 | CAJ | H14 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.4° | 109.4° |
| H18 | CAN | H19 | 109.4° | 109.4° |
| H20 | NAC | H21 | 109.5° | 120.1° |
| H23 | NAD | H24 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAJ | CAA | H13 | 120.1° | 120.0° |
| CAM | CAJ | CAA | H14 | 120.0° | 119.9° |
| CAJ | CAM | CBC | H11 | 120.1° | 120.0° |
| CAJ | CAM | CBC | H12 | 120.1° | 119.9° |
| CAJ | CAM | CBC | SAU | 59.8° | 90.1° |
| CAJ | CAM | CBC | CBB | 120.1° | 89.7° |
| CAJ | CAM | H11 | H12 | 119.8° | 120.0° |
| CAM | CAJ | H13 | H14 | 119.9° | 120.0° |
| CAM | CAJ | CAA | H15 | 180.0° | 59.9° |
| CAM | CAJ | CAA | H16 | 60.0° | 60.1° |
| CAM | CAJ | CAA | H17 | 60.0° | 180.0° |
| CAA | CAJ | CAM | CBC | 104.7° | 180.0° |
| CAA | CAJ | CAM | H11 | 135.2° | 60.0° |
| CAA | CAJ | CAM | H12 | 15.4° | 60.1° |
| CAA | CAJ | H13 | H14 | 119.9° | 120.0° |
| CAJ | CAA | H15 | H16 | 120.0° | 120.0° |
| CAJ | CAA | H15 | H17 | 120.0° | 120.1° |
| CAJ | CAA | H16 | H17 | 120.0° | 120.0° |
| CAM | CBC | SAU | CBB | 179.9° | 179.8° |
| CAM | CBC | SAU | CBD | 179.6° | 180.0° |
| CAM | CBC | CBB | NAQ | 179.4° | 179.9° |
| CAM | CBC | CBB | CAN | 1.0° | 0.2° |
| CBC | CAM | H11 | H12 | 119.8° | 120.0° |
| CBC | CAM | CAJ | H13 | 135.2° | 60.0° |
| CBC | CAM | CAJ | H14 | 15.3° | 60.0° |
| CBC | SAU | CBD | CAX | 178.0° | 180.0° |
| CBC | SAU | CBD | NAQ | 0.2° | 0.3° |
| SAU | CBC | CBB | NAQ | 0.7° | 0.1° |
| SAU | CBC | CBB | CAN | 179.1° | 180.0° |
| SAU | CBC | CAM | H11 | 60.3° | 30.0° |
| SAU | CBC | CAM | H12 | 179.9° | 150.0° |
| CBD | SAU | CBC | CBB | 0.5° | 0.2° |
| SAU | CBD | CAX | CAF | 22.4° | 0.3° |
| SAU | CBD | CAX | NAQ | 177.5° | 179.7° |
| SAU | CBD | CAX | CAI | 160.2° | 180.0° |
| SAU | CBD | NAQ | CBB | 0.2° | 0.3° |
| CBC | CBB | NAQ | CBD | 0.6° | 0.1° |
| CBC | CBB | NAQ | CAN | 178.4° | 179.9° |
| CBC | CBB | CAN | SAT | 91.3° | 90.0° |
| CBB | CBC | CAM | H11 | 119.8° | 150.3° |
| CBB | CBC | CAM | H12 | 0.0° | 30.2° |
| CBC | CBB | CAN | H18 | 28.6° | 150.0° |
| CBC | CBB | CAN | H19 | 148.8° | 30.0° |
| CAG | CAF | CAX | H10 | 180.0° | 179.7° |
| CAF | CAG | CAZ | H9 | 180.0° | 180.0° |
| CAG | CAF | CAX | CBD | 178.6° | 180.0° |
| CAG | CAF | CAX | CAI | 1.0° | 0.3° |
| CAF | CAG | CAZ | OAR | 180.0° | 180.0° |
| CAF | CAG | CAZ | CBA | 0.9° | 0.0° |
| CAX | CAF | CAG | CAZ | 0.0° | 0.2° |
| CAF | CAX | CBD | CAI | 177.4° | 179.7° |
| CAF | CAX | CBD | NAQ | 155.1° | 180.0° |
| CAF | CAX | CAI | CBA | 1.3° | 0.0° |
| CAF | CAX | CAI | H5 | 178.7° | 180.0° |
| CAX | CAF | CAG | H9 | 180.0° | 179.7° |
| CAB | OAR | CAZ | CAG | 33.1° | 0.1° |
| CAB | OAR | CAZ | CBA | 147.7° | 180.0° |
| OAR | CAB | H6 | H7 | 120.0° | 120.0° |
| OAR | CAB | H6 | H8 | 120.0° | 119.9° |
| OAR | CAB | H7 | H8 | 120.0° | 120.0° |
| CAG | CAZ | OAR | CBA | 179.1° | 179.9° |
| CAG | CAZ | CBA | CAI | 0.6° | 0.3° |
| CAG | CAZ | CBA | OAS | 178.9° | 180.0° |
| CAZ | CAG | CAF | H10 | 179.9° | 179.9° |
| NAC | C6 | C5 | N1 | 179.2° | 180.0° |
| NAC | C6 | C5 | C4 | 179.4° | 179.8° |
| NAC | C6 | N1 | C2 | 179.2° | 180.0° |
| C6 | NAC | H20 | H21 | 120.0° | 180.0° |
| NAC | C6 | C5 | H22 | 0.6° | 0.0° |
| C6 | C5 | C4 | H22 | 180.0° | 179.7° |
| C6 | C5 | C4 | NAD | 179.3° | 180.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.2° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C5 | C6 | NAC | H20 | 179.1° | 180.0° |
| C5 | C6 | NAC | H21 | 60.8° | 0.0° |
| C4 | C5 | C6 | N1 | 0.2° | 0.2° |
| C5 | C4 | NAD | N3 | 179.0° | 179.7° |
| C5 | C4 | N3 | C2 | 1.0° | 0.0° |
| C5 | C4 | NAD | H23 | 179.0° | 0.0° |
| C5 | C4 | NAD | H24 | 61.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.3° |
| C6 | N1 | C2 | SAT | 179.9° | 180.0° |
| N1 | C6 | NAC | H20 | 0.0° | 0.0° |
| N1 | C6 | NAC | H21 | 120.0° | 180.0° |
| N1 | C6 | C5 | H22 | 179.8° | 179.9° |
| CAX | CBD | NAQ | CBB | 177.7° | 180.0° |
| CBD | CAX | CAI | CBA | 178.7° | 179.7° |
| CBD | CAX | CAI | H5 | 1.3° | 0.3° |
| CBD | CAX | CAF | H10 | 1.5° | 0.3° |
| NAQ | CBD | CAX | CAI | 22.3° | 0.3° |
| CBD | NAQ | CBB | CAN | 179.0° | 179.7° |
| NAD | C4 | N3 | C2 | 180.0° | 179.7° |
| NAD | C4 | C5 | H22 | 0.8° | 0.3° |
| C4 | NAD | H23 | H24 | 120.0° | 180.0° |
| C4 | N3 | C2 | N1 | 1.2° | 0.3° |
| C4 | N3 | C2 | SAT | 179.4° | 180.0° |
| N3 | C4 | C5 | H22 | 179.7° | 180.0° |
| N3 | C4 | NAD | H23 | 0.0° | 179.7° |
| N3 | C4 | NAD | H24 | 120.0° | 0.3° |
| N1 | C2 | N3 | SAT | 179.5° | 179.7° |
| N1 | C2 | SAT | CAN | 165.7° | 0.3° |
| CAX | CAI | CBA | CAZ | 0.4° | 0.2° |
| CAX | CAI | CBA | H5 | 180.0° | 180.0° |
| CAX | CAI | CBA | OAS | 180.0° | 179.9° |
| CAI | CAX | CAF | H10 | 179.0° | 180.0° |
| N3 | C2 | SAT | CAN | 14.9° | 180.0° |
| C2 | SAT | CAN | CBB | 130.7° | 180.0° |
| C2 | SAT | CAN | H18 | 10.8° | 60.0° |
| C2 | SAT | CAN | H19 | 109.4° | 60.0° |
| NAQ | CBB | CAN | SAT | 87.0° | 89.9° |
| NAQ | CBB | CAN | H18 | 153.1° | 30.2° |
| NAQ | CBB | CAN | H19 | 32.9° | 150.1° |
| CBB | CAN | SAT | H18 | 119.9° | 120.0° |
| CBB | CAN | SAT | H19 | 119.9° | 120.0° |
| CBB | CAN | H18 | H19 | 120.4° | 119.9° |
| OAR | CAZ | CBA | CAI | 179.8° | 179.8° |
| OAR | CAZ | CBA | OAS | 0.2° | 0.1° |
| CAZ | OAR | CAB | H6 | 180.0° | 60.1° |
| CAZ | OAR | CAB | H7 | 60.0° | 60.0° |
| CAZ | OAR | CAB | H8 | 60.0° | 180.0° |
| OAR | CAZ | CAG | H9 | 0.0° | 0.1° |
| CAZ | CBA | CAI | OAS | 179.5° | 179.7° |
| CAZ | CBA | OAS | CAL | 169.5° | 179.7° |
| CAZ | CBA | CAI | H5 | 179.5° | 179.8° |
| CBA | CAZ | CAG | H9 | 179.1° | 180.0° |
| SAT | CAN | H18 | H19 | 120.4° | 120.1° |
| CAI | CBA | OAS | CAL | 10.9° | 0.0° |
| CBA | OAS | CAL | CAK | 177.8° | 180.0° |
| CBA | OAS | CAL | H3 | 58.3° | 60.0° |
| CBA | OAS | CAL | H4 | 62.7° | 60.1° |
| OAS | CBA | CAI | H5 | 0.0° | 0.1° |
| OAS | CAL | CAK | H3 | 119.5° | 120.0° |
| OAS | CAL | CAK | H4 | 119.5° | 119.9° |
| OAS | CAL | CAK | FAE | 67.2° | 65.0° |
| OAS | CAL | CAK | H1 | 52.9° | 55.0° |
| OAS | CAL | CAK | H2 | 172.8° | 175.0° |
| OAS | CAL | H3 | H4 | 121.5° | 120.0° |
| CAL | CAK | FAE | H1 | 120.1° | 120.1° |
| CAL | CAK | FAE | H2 | 120.1° | 120.0° |
| CAL | CAK | H1 | H2 | 119.8° | 120.0° |
| CAK | CAL | H3 | H4 | 121.6° | 120.0° |
| FAE | CAK | H1 | H2 | 119.8° | 119.9° |
| FAE | CAK | CAL | H3 | 173.4° | 175.0° |
| FAE | CAK | CAL | H4 | 52.3° | 54.9° |
| H1 | CAK | CAL | H3 | 66.6° | 65.0° |
| H1 | CAK | CAL | H4 | 172.4° | 175.0° |
| H2 | CAK | CAL | H3 | 53.3° | 55.0° |
| H2 | CAK | CAL | H4 | 67.8° | 65.0° |
| H6 | CAB | H7 | H8 | 120.0° | 120.1° |
| H9 | CAG | CAF | H10 | 0.1° | 0.0° |
| H11 | CAM | CAJ | H13 | 15.2° | 180.0° |
| H11 | CAM | CAJ | H14 | 104.7° | 59.9° |
| H12 | CAM | CAJ | H13 | 104.7° | 59.9° |
| H12 | CAM | CAJ | H14 | 135.4° | 180.0° |
| H13 | CAJ | CAA | H15 | 60.0° | 180.0° |
| H13 | CAJ | CAA | H16 | 180.0° | 60.0° |
| H13 | CAJ | CAA | H17 | 60.1° | 60.0° |
| H14 | CAJ | CAA | H15 | 59.9° | 60.0° |
| H14 | CAJ | CAA | H16 | 60.1° | 180.0° |
| H14 | CAJ | CAA | H17 | 180.0° | 60.1° |
| H15 | CAA | H16 | H17 | 120.0° | 120.0° |
