4T2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CBC | sing | 1.53Å | 1.53Å | |
| CAB | CBC | sing | 1.53Å | 1.53Å | |
| CBC | CAA | sing | 1.53Å | 1.53Å | |
| CBC | OAT | sing | 1.45Å | 1.44Å | |
| OAH | NAR | sing | 1.42Å | 1.43Å | |
| OAT | CAV | sing | 1.35Å | 1.37Å | |
| NAR | C | sing | 1.35Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| OAE | CAV | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CAV | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CBA | sing | 1.51Å | 1.39Å | |
| CBA | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.48Å | 1.39Å | |
| CAZ | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAX | CAU | sing | 1.48Å | 1.39Å | |
| CAU | NAQ | doub | 1.30Å | 1.34Å | |
| CAU | NAD | sing | 1.39Å | 1.33Å | |
| NAQ | OAG | sing | 1.42Å | 1.46Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| OAH | H13 | sing | 0.97Å | 0.95Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAP | H18 | sing | 1.08Å | 1.08Å | |
| CAK | H19 | sing | 1.08Å | 1.08Å | |
| CAI | H20 | sing | 1.08Å | 1.08Å | |
| CAJ | H21 | sing | 1.08Å | 1.08Å | |
| NAD | H22 | sing | 0.97Å | 1.00Å | |
| OAG | H24 | sing | 0.97Å | 0.95Å | |
| NAD | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CBC | CAB | 108.5° | 109.5° |
| CAC | CBC | CAA | 110.0° | 109.5° |
| CAC | CBC | OAT | 111.4° | 109.5° |
| CBC | CAC | H7 | 109.5° | 109.5° |
| CBC | CAC | H8 | 109.4° | 109.5° |
| CBC | CAC | H9 | 109.5° | 109.5° |
| CAB | CBC | CAA | 108.3° | 109.5° |
| CAB | CBC | OAT | 107.7° | 109.5° |
| CBC | CAB | H4 | 109.5° | 109.5° |
| CBC | CAB | H5 | 109.5° | 109.5° |
| CBC | CAB | H6 | 109.5° | 109.4° |
| CAA | CBC | OAT | 110.7° | 109.5° |
| CBC | CAA | H1 | 109.5° | 109.5° |
| CBC | CAA | H2 | 109.5° | 109.5° |
| CBC | CAA | H3 | 109.5° | 109.5° |
| CBC | OAT | CAV | 120.0° | 117.0° |
| OAH | NAR | C | 117.0° | 120.0° |
| OAH | NAR | H12 | 121.5° | 120.0° |
| NAR | OAH | H13 | 109.5° | 114.0° |
| OAT | CAV | OAE | 121.9° | 120.0° |
| OAT | CAV | N | 119.2° | 120.0° |
| NAR | C | O | 124.3° | 120.1° |
| NAR | C | CA | 114.8° | 120.0° |
| C | NAR | H12 | 121.5° | 120.0° |
| O | C | CA | 120.9° | 119.9° |
| OAE | CAV | N | 118.9° | 120.0° |
| C | CA | N | 109.3° | 109.5° |
| C | CA | CBA | 112.1° | 109.5° |
| C | CA | H11 | 108.0° | 109.5° |
| CAV | N | CA | 121.7° | 120.0° |
| CAV | N | H10 | 119.1° | 120.0° |
| N | CA | CBA | 108.9° | 109.5° |
| CA | N | H10 | 119.1° | 120.0° |
| N | CA | H11 | 108.7° | 109.4° |
| CA | CBA | CAO | 121.1° | 119.8° |
| CA | CBA | CAN | 118.8° | 119.9° |
| CBA | CA | H11 | 109.8° | 109.5° |
| CAO | CBA | CAN | 120.0° | 120.3° |
| CBA | CAO | CAM | 119.8° | 120.1° |
| CBA | CAO | H14 | 120.1° | 120.0° |
| CBA | CAN | CAL | 120.3° | 120.1° |
| CBA | CAN | H16 | 119.9° | 119.9° |
| CAO | CAM | CAY | 119.8° | 119.9° |
| CAM | CAO | H14 | 120.1° | 120.0° |
| CAO | CAM | H15 | 120.1° | 120.0° |
| CAN | CAL | CAY | 119.7° | 119.9° |
| CAL | CAN | H16 | 119.8° | 119.9° |
| CAN | CAL | H17 | 120.2° | 120.0° |
| CAM | CAY | CAL | 120.4° | 119.8° |
| CAM | CAY | CAZ | 120.8° | 120.1° |
| CAY | CAM | H15 | 120.1° | 120.1° |
| CAL | CAY | CAZ | 118.8° | 120.1° |
| CAY | CAL | H17 | 120.1° | 120.1° |
| CAY | CAZ | CAK | 120.6° | 120.1° |
| CAY | CAZ | CAP | 119.1° | 120.1° |
| CAK | CAZ | CAP | 120.2° | 119.9° |
| CAZ | CAK | CAI | 120.1° | 120.2° |
| CAZ | CAK | H19 | 120.0° | 119.9° |
| CAZ | CAP | CAX | 119.6° | 119.7° |
| CAZ | CAP | H18 | 120.2° | 120.1° |
| CAK | CAI | CAJ | 119.7° | 120.2° |
| CAI | CAK | H19 | 120.0° | 119.9° |
| CAK | CAI | H20 | 120.1° | 119.9° |
| CAP | CAX | CAJ | 120.3° | 119.8° |
| CAP | CAX | CAU | 119.6° | 120.1° |
| CAX | CAP | H18 | 120.2° | 120.2° |
| CAI | CAJ | CAX | 120.0° | 120.1° |
| CAJ | CAI | H20 | 120.1° | 119.9° |
| CAI | CAJ | H21 | 120.0° | 120.0° |
| CAJ | CAX | CAU | 120.1° | 120.1° |
| CAX | CAJ | H21 | 120.0° | 119.9° |
| CAX | CAU | NAQ | 118.2° | 120.0° |
| CAX | CAU | NAD | 118.0° | 120.0° |
| NAQ | CAU | NAD | 123.8° | 120.0° |
| CAU | NAQ | OAG | 117.4° | 120.0° |
| CAU | NAD | H22 | 120.0° | 120.0° |
| CAU | NAD | H25 | 120.0° | 120.0° |
| NAQ | OAG | H24 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.4° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H22 | NAD | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CBC | CAB | CAA | 119.4° | 120.0° |
| CAC | CBC | CAB | OAT | 120.8° | 120.0° |
| CAC | CBC | CAA | OAT | 123.6° | 120.0° |
| CAC | CBC | OAT | CAV | 45.9° | 180.0° |
| CAC | CBC | CAA | H1 | 180.0° | 60.0° |
| CAC | CBC | CAA | H2 | 60.0° | 60.0° |
| CAC | CBC | CAA | H3 | 60.0° | 180.0° |
| CAC | CBC | CAB | H4 | 180.0° | 60.0° |
| CAC | CBC | CAB | H5 | 60.0° | 60.0° |
| CAC | CBC | CAB | H6 | 60.0° | 180.0° |
| CBC | CAC | H7 | H8 | 120.0° | 120.1° |
| CBC | CAC | H7 | H9 | 120.0° | 119.9° |
| CBC | CAC | H8 | H9 | 120.0° | 120.0° |
| CAB | CBC | CAA | OAT | 117.9° | 120.0° |
| CAB | CBC | OAT | CAV | 164.8° | 60.0° |
| CAB | CBC | CAA | H1 | 61.5° | 180.0° |
| CAB | CBC | CAA | H2 | 58.5° | 60.0° |
| CAB | CBC | CAA | H3 | 178.5° | 60.0° |
| CBC | CAB | H4 | H5 | 120.0° | 120.0° |
| CBC | CAB | H4 | H6 | 120.0° | 120.0° |
| CBC | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CBC | CAC | H7 | 180.0° | 179.9° |
| CAB | CBC | CAC | H8 | 60.0° | 60.0° |
| CAB | CBC | CAC | H9 | 60.0° | 60.1° |
| CAA | CBC | OAT | CAV | 76.9° | 60.0° |
| CBC | CAA | H1 | H2 | 120.0° | 120.0° |
| CBC | CAA | H1 | H3 | 120.0° | 120.0° |
| CBC | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CBC | CAB | H4 | 60.6° | 60.0° |
| CAA | CBC | CAB | H5 | 179.4° | 180.0° |
| CAA | CBC | CAB | H6 | 59.4° | 60.0° |
| CAA | CBC | CAC | H7 | 61.7° | 59.9° |
| CAA | CBC | CAC | H8 | 58.4° | 180.0° |
| CAA | CBC | CAC | H9 | 178.4° | 59.9° |
| CBC | OAT | CAV | OAE | 34.7° | 0.0° |
| CBC | OAT | CAV | N | 147.7° | 180.0° |
| OAT | CBC | CAA | H1 | 56.4° | 60.0° |
| OAT | CBC | CAA | H2 | 176.4° | 180.0° |
| OAT | CBC | CAA | H3 | 63.6° | 60.0° |
| OAT | CBC | CAB | H4 | 59.2° | 180.0° |
| OAT | CBC | CAB | H5 | 60.8° | 60.0° |
| OAT | CBC | CAB | H6 | 179.2° | 60.0° |
| OAT | CBC | CAC | H7 | 61.5° | 60.0° |
| OAT | CBC | CAC | H8 | 178.4° | 60.0° |
| OAT | CBC | CAC | H9 | 58.5° | 179.9° |
| OAH | NAR | C | H12 | 180.0° | 180.0° |
| OAH | NAR | C | O | 1.7° | 0.0° |
| OAH | NAR | C | CA | 179.5° | 180.0° |
| OAT | CAV | OAE | N | 177.7° | 180.0° |
| OAT | CAV | N | CA | 1.4° | 180.0° |
| OAT | CAV | N | H10 | 178.6° | 0.0° |
| NAR | C | O | CA | 177.7° | 180.0° |
| NAR | C | CA | N | 21.1° | 180.0° |
| NAR | C | CA | CBA | 99.7° | 60.0° |
| NAR | C | CA | H11 | 139.2° | 60.0° |
| C | NAR | OAH | H13 | 0.7° | 180.0° |
| O | C | CA | N | 156.8° | 0.0° |
| O | C | CA | CBA | 82.4° | 120.0° |
| O | C | CA | H11 | 38.7° | 120.0° |
| O | C | NAR | H12 | 178.3° | 180.0° |
| OAE | CAV | N | CA | 179.1° | 0.0° |
| OAE | CAV | N | H10 | 0.9° | 180.0° |
| C | CA | N | CAV | 88.2° | 85.0° |
| C | CA | N | CBA | 122.8° | 120.0° |
| C | CA | N | H11 | 117.7° | 120.0° |
| C | CA | CBA | H11 | 120.0° | 120.0° |
| C | CA | CBA | CAO | 58.3° | 100.0° |
| C | CA | CBA | CAN | 123.0° | 80.2° |
| C | CA | N | H10 | 91.7° | 95.0° |
| CA | C | NAR | H12 | 0.5° | 0.0° |
| CAV | N | CA | H10 | 180.0° | 180.0° |
| CAV | N | CA | CBA | 149.0° | 155.0° |
| CAV | N | CA | H11 | 29.4° | 35.0° |
| N | CA | CBA | H11 | 118.9° | 119.9° |
| N | CA | CBA | CAO | 62.8° | 140.0° |
| N | CA | CBA | CAN | 116.0° | 39.8° |
| CA | CBA | CAO | CAN | 178.7° | 179.8° |
| CA | CBA | CAO | CAM | 179.2° | 179.9° |
| CA | CBA | CAN | CAL | 179.4° | 180.0° |
| CBA | CA | N | H10 | 31.0° | 25.0° |
| CA | CBA | CAO | H14 | 0.8° | 0.0° |
| CA | CBA | CAN | H16 | 0.7° | 0.1° |
| CBA | CAO | CAM | H14 | 180.0° | 180.0° |
| CAO | CBA | CAN | CAL | 0.6° | 0.2° |
| CBA | CAO | CAM | CAY | 0.1° | 0.1° |
| CAO | CBA | CA | H11 | 178.3° | 20.1° |
| CBA | CAO | CAM | H15 | 179.9° | 180.0° |
| CAO | CBA | CAN | H16 | 179.4° | 179.7° |
| CAN | CBA | CAO | CAM | 0.5° | 0.3° |
| CBA | CAN | CAL | H16 | 180.0° | 179.9° |
| CBA | CAN | CAL | CAY | 0.1° | 0.1° |
| CAN | CBA | CA | H11 | 2.9° | 159.7° |
| CAN | CBA | CAO | H14 | 179.5° | 179.8° |
| CBA | CAN | CAL | H17 | 179.9° | 179.9° |
| CAO | CAM | CAY | H15 | 180.0° | 180.0° |
| CAO | CAM | CAY | CAL | 0.5° | 0.2° |
| CAO | CAM | CAY | CAZ | 179.5° | 180.0° |
| CAN | CAL | CAY | CAM | 0.4° | 0.3° |
| CAN | CAL | CAY | H17 | 180.0° | 180.0° |
| CAN | CAL | CAY | CAZ | 179.4° | 180.0° |
| CAM | CAY | CAL | CAZ | 179.0° | 179.8° |
| CAM | CAY | CAZ | CAK | 130.4° | 0.0° |
| CAM | CAY | CAZ | CAP | 51.0° | 179.7° |
| CAY | CAM | CAO | H14 | 179.9° | 180.0° |
| CAM | CAY | CAL | H17 | 179.6° | 179.7° |
| CAL | CAY | CAZ | CAK | 50.7° | 179.8° |
| CAL | CAY | CAZ | CAP | 128.0° | 0.5° |
| CAL | CAY | CAM | H15 | 179.4° | 179.7° |
| CAY | CAL | CAN | H16 | 179.9° | 180.0° |
| CAY | CAZ | CAK | CAP | 178.6° | 179.7° |
| CAY | CAZ | CAK | CAI | 179.5° | 180.0° |
| CAY | CAZ | CAP | CAX | 179.4° | 180.0° |
| CAZ | CAY | CAM | H15 | 0.5° | 0.0° |
| CAZ | CAY | CAL | H17 | 0.6° | 0.1° |
| CAY | CAZ | CAP | H18 | 0.6° | 0.1° |
| CAY | CAZ | CAK | H19 | 0.5° | 0.1° |
| CAZ | CAK | CAI | H19 | 180.0° | 180.0° |
| CAK | CAZ | CAP | CAX | 0.8° | 0.3° |
| CAZ | CAK | CAI | CAJ | 0.4° | 0.1° |
| CAK | CAZ | CAP | H18 | 179.2° | 179.7° |
| CAZ | CAK | CAI | H20 | 179.6° | 180.0° |
| CAP | CAZ | CAK | CAI | 0.8° | 0.3° |
| CAZ | CAP | CAX | H18 | 180.0° | 180.0° |
| CAZ | CAP | CAX | CAJ | 0.3° | 0.1° |
| CAZ | CAP | CAX | CAU | 179.7° | 180.0° |
| CAP | CAZ | CAK | H19 | 179.1° | 179.8° |
| CAK | CAI | CAJ | H20 | 180.0° | 179.9° |
| CAK | CAI | CAJ | CAX | 0.1° | 0.2° |
| CAK | CAI | CAJ | H21 | 179.9° | 180.0° |
| CAP | CAX | CAJ | CAI | 0.2° | 0.2° |
| CAP | CAX | CAJ | CAU | 179.9° | 179.9° |
| CAP | CAX | CAU | NAQ | 47.7° | 0.0° |
| CAP | CAX | CAU | NAD | 132.5° | 180.0° |
| CAP | CAX | CAJ | H21 | 179.8° | 180.0° |
| CAI | CAJ | CAX | H21 | 180.0° | 179.8° |
| CAI | CAJ | CAX | CAU | 179.9° | 179.7° |
| CAJ | CAI | CAK | H19 | 179.6° | 180.0° |
| CAJ | CAX | CAU | NAQ | 132.4° | 179.9° |
| CAJ | CAX | CAU | NAD | 47.4° | 0.1° |
| CAJ | CAX | CAP | H18 | 179.8° | 180.0° |
| CAX | CAJ | CAI | H20 | 179.9° | 179.7° |
| CAX | CAU | NAQ | NAD | 179.8° | 180.0° |
| CAX | CAU | NAQ | OAG | 179.6° | 180.0° |
| CAU | CAX | CAP | H18 | 0.3° | 0.0° |
| CAU | CAX | CAJ | H21 | 0.1° | 0.0° |
| CAX | CAU | NAD | H22 | 179.8° | 0.1° |
| CAX | CAU | NAD | H25 | 0.3° | 180.0° |
| NAQ | CAU | NAD | H22 | 0.0° | 180.0° |
| CAU | NAQ | OAG | H24 | 180.0° | 180.0° |
| NAQ | CAU | NAD | H25 | 180.0° | 0.1° |
| NAD | CAU | NAQ | OAG | 0.2° | 0.0° |
| CAU | NAD | H22 | H25 | 180.0° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | N | CA | H11 | 150.6° | 145.0° |
| H12 | NAR | OAH | H13 | 179.3° | 0.0° |
| H14 | CAO | CAM | H15 | 0.1° | 0.0° |
| H16 | CAN | CAL | H17 | 0.1° | 0.0° |
| H19 | CAK | CAI | H20 | 0.4° | 0.1° |
| H20 | CAI | CAJ | H21 | 0.2° | 0.1° |
