DGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAJ | sing | 1.54Å | 0.00Å | |
| CAK | SAS | sing | 1.82Å | 0.00Å | |
| CAJ | NAO | sing | 1.45Å | 0.00Å | |
| NAO | CAX | doub | 1.28Å | 0.00Å | |
| CAX | SAS | sing | 1.77Å | 0.00Å | |
| CAX | NBG | sing | 1.38Å | 0.00Å | |
| CAM | NBG | sing | 1.48Å | 0.00Å | |
| CAM | CBA | sing | 1.54Å | 0.00Å | |
| NBG | CAN | sing | 1.48Å | 0.00Å | |
| OAI | CAZ | sing | 1.43Å | 0.00Å | |
| CBA | CAN | sing | 1.54Å | 0.00Å | |
| CBA | SAT | sing | 1.81Å | 0.00Å | |
| CBD | CBB | sing | 1.55Å | 0.00Å | |
| CBD | NAP | sing | 1.47Å | 0.00Å | |
| CBD | CBF | sing | 1.53Å | 0.00Å | |
| CBB | CAD | sing | 1.53Å | 0.00Å | |
| CBB | CBE | sing | 1.55Å | 0.00Å | |
| NAP | CAY | doub | 1.27Å | 0.00Å | |
| CAC | CAZ | sing | 1.53Å | 0.00Å | |
| CAZ | CBF | sing | 1.53Å | 0.00Å | |
| SAT | CBE | sing | 1.81Å | 0.00Å | |
| CAY | CBE | sing | 1.51Å | 0.00Å | |
| CAY | CAV | sing | 1.48Å | 0.00Å | |
| CBF | CAW | sing | 1.51Å | 0.00Å | |
| OAF | CAV | doub | 1.21Å | 0.00Å | |
| CAV | OAH | sing | 1.35Å | 0.00Å | |
| CAW | OAG | doub | 1.21Å | 0.00Å | |
| CAW | H1 | sing | 1.08Å | 0.00Å | |
| CBF | H2 | sing | 1.09Å | 0.00Å | |
| CAZ | H3 | sing | 1.09Å | 0.00Å | |
| CAC | H4 | sing | 1.09Å | 0.00Å | |
| CAC | H5 | sing | 1.09Å | 0.00Å | |
| CAC | H6 | sing | 1.09Å | 0.00Å | |
| OAI | H7 | sing | 0.97Å | 0.00Å | |
| CBD | H8 | sing | 1.09Å | 0.00Å | |
| CBB | H9 | sing | 1.09Å | 0.00Å | |
| CAD | H10 | sing | 1.09Å | 0.00Å | |
| CAD | H11 | sing | 1.09Å | 0.00Å | |
| CAD | H12 | sing | 1.09Å | 0.00Å | |
| OAH | H16 | sing | 0.97Å | 0.00Å | |
| CBE | H17 | sing | 1.09Å | 0.00Å | |
| CBA | H18 | sing | 1.09Å | 0.00Å | |
| CAN | H19 | sing | 1.09Å | 0.00Å | |
| CAN | H20 | sing | 1.09Å | 0.00Å | |
| CAM | H21 | sing | 1.09Å | 0.00Å | |
| CAM | H22 | sing | 1.09Å | 0.00Å | |
| CAK | H25 | sing | 1.09Å | 0.00Å | |
| CAK | H26 | sing | 1.09Å | 0.00Å | |
| CAJ | H27 | sing | 1.09Å | 0.00Å | |
| CAJ | H28 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAK | SAS | 90.0° | 103.3° |
| CAK | CAJ | NAO | 90.0° | 111.2° |
| CAJ | CAK | H25 | 90.0° | 110.7° |
| CAJ | CAK | H26 | 90.0° | 110.7° |
| CAK | CAJ | H27 | 90.0° | 109.2° |
| CAK | CAJ | H28 | 90.0° | 109.2° |
| CAK | SAS | CAX | 90.0° | 95.6° |
| SAS | CAK | H25 | 90.0° | 110.4° |
| SAS | CAK | H26 | 90.0° | 110.9° |
| CAJ | NAO | CAX | 90.0° | 119.8° |
| NAO | CAJ | H27 | 90.0° | 109.3° |
| NAO | CAJ | H28 | 90.0° | 108.9° |
| NAO | CAX | SAS | 90.0° | 110.0° |
| NAO | CAX | NBG | 90.0° | 125.0° |
| SAS | CAX | NBG | 90.0° | 125.0° |
| CAX | NBG | CAM | 90.0° | 134.5° |
| CAX | NBG | CAN | 90.0° | 134.5° |
| NBG | CAM | CBA | 90.0° | 86.1° |
| CAM | NBG | CAN | 90.0° | 91.0° |
| NBG | CAM | H21 | 90.0° | 113.8° |
| NBG | CAM | H22 | 90.0° | 113.8° |
| CAM | CBA | CAN | 90.0° | 86.3° |
| CAM | CBA | SAT | 90.0° | 113.8° |
| CAM | CBA | H18 | 90.0° | 113.8° |
| CBA | CAM | H21 | 90.0° | 113.8° |
| CBA | CAM | H22 | 90.0° | 113.8° |
| NBG | CAN | CBA | 90.0° | 86.1° |
| NBG | CAN | H19 | 90.0° | 113.7° |
| NBG | CAN | H20 | 90.0° | 113.8° |
| OAI | CAZ | CAC | 90.0° | 109.5° |
| OAI | CAZ | CBF | 90.0° | 109.5° |
| OAI | CAZ | H3 | 90.0° | 109.5° |
| CAZ | OAI | H7 | 90.0° | 114.0° |
| CAN | CBA | SAT | 90.0° | 113.8° |
| CAN | CBA | H18 | 90.0° | 113.7° |
| CBA | CAN | H19 | 90.0° | 113.8° |
| CBA | CAN | H20 | 90.0° | 113.8° |
| CBA | SAT | CBE | 90.0° | 103.0° |
| SAT | CBA | H18 | 90.0° | 113.0° |
| CBB | CBD | NAP | 90.0° | 105.1° |
| CBB | CBD | CBF | 90.0° | 110.3° |
| CBD | CBB | CAD | 90.0° | 111.1° |
| CBD | CBB | CBE | 90.0° | 100.8° |
| CBB | CBD | H8 | 90.0° | 110.3° |
| CBD | CBB | H9 | 90.0° | 111.2° |
| NAP | CBD | CBF | 90.0° | 110.3° |
| CBD | NAP | CAY | 90.0° | 112.6° |
| NAP | CBD | H8 | 90.0° | 110.3° |
| CBD | CBF | CAZ | 90.0° | 109.4° |
| CBD | CBF | CAW | 90.0° | 109.5° |
| CBD | CBF | H2 | 90.0° | 109.5° |
| CBF | CBD | H8 | 90.0° | 110.3° |
| CAD | CBB | CBE | 90.0° | 111.1° |
| CAD | CBB | H9 | 90.0° | 111.0° |
| CBB | CAD | H10 | 90.0° | 109.5° |
| CBB | CAD | H11 | 90.0° | 109.5° |
| CBB | CAD | H12 | 90.0° | 109.5° |
| CBB | CBE | SAT | 90.0° | 110.5° |
| CBB | CBE | CAY | 90.0° | 103.8° |
| CBE | CBB | H9 | 90.0° | 111.2° |
| CBB | CBE | H17 | 90.0° | 110.6° |
| NAP | CAY | CBE | 90.0° | 111.2° |
| NAP | CAY | CAV | 90.0° | 124.4° |
| CAC | CAZ | CBF | 90.0° | 109.5° |
| CAC | CAZ | H3 | 90.0° | 109.5° |
| CAZ | CAC | H4 | 90.0° | 109.5° |
| CAZ | CAC | H5 | 90.0° | 109.5° |
| CAZ | CAC | H6 | 90.0° | 109.5° |
| CAZ | CBF | CAW | 90.0° | 109.5° |
| CAZ | CBF | H2 | 90.0° | 109.5° |
| CBF | CAZ | H3 | 90.0° | 109.5° |
| SAT | CBE | CAY | 90.0° | 110.6° |
| SAT | CBE | H17 | 90.0° | 110.6° |
| CBE | CAY | CAV | 90.0° | 124.3° |
| CAY | CBE | H17 | 90.0° | 110.6° |
| CAY | CAV | OAF | 90.0° | 120.0° |
| CAY | CAV | OAH | 90.0° | 120.0° |
| CBF | CAW | OAG | 90.0° | 120.0° |
| CBF | CAW | H1 | 90.0° | 120.0° |
| CAW | CBF | H2 | 90.0° | 109.5° |
| OAF | CAV | OAH | 90.0° | 120.0° |
| CAV | OAH | H16 | 90.0° | 117.1° |
| OAG | CAW | H1 | 90.0° | 120.0° |
| H4 | CAC | H5 | 90.0° | 109.5° |
| H4 | CAC | H6 | 90.0° | 109.4° |
| H5 | CAC | H6 | 90.0° | 109.4° |
| H10 | CAD | H11 | 90.0° | 109.5° |
| H10 | CAD | H12 | 90.0° | 109.4° |
| H11 | CAD | H12 | 90.0° | 109.4° |
| H19 | CAN | H20 | 90.0° | 113.0° |
| H21 | CAM | H22 | 90.0° | 113.0° |
| H25 | CAK | H26 | 90.0° | 110.7° |
| H27 | CAJ | H28 | 90.0° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAK | SAS | H25 | 90.0° | 118.4° |
| CAJ | CAK | SAS | H26 | 90.0° | 118.6° |
| CAK | CAJ | NAO | H27 | 90.0° | 120.6° |
| CAK | CAJ | NAO | H28 | 90.0° | 120.4° |
| CAK | CAJ | NAO | CAX | 90.0° | 0.5° |
| CAJ | CAK | SAS | CAX | 90.0° | 0.0° |
| CAJ | CAK | H25 | H26 | 90.0° | 123.1° |
| CAK | CAJ | H27 | H28 | 90.0° | 119.2° |
| SAS | CAK | CAJ | NAO | 90.0° | 0.3° |
| CAK | SAS | CAX | NAO | 90.0° | 0.3° |
| CAK | SAS | CAX | NBG | 90.0° | 180.0° |
| SAS | CAK | H25 | H26 | 90.0° | 123.2° |
| SAS | CAK | CAJ | H27 | 90.0° | 120.4° |
| SAS | CAK | CAJ | H28 | 90.0° | 120.5° |
| CAJ | NAO | CAX | SAS | 90.0° | 0.5° |
| CAJ | NAO | CAX | NBG | 90.0° | 179.8° |
| NAO | CAJ | CAK | H25 | 90.0° | 118.5° |
| NAO | CAJ | CAK | H26 | 90.0° | 118.5° |
| NAO | CAJ | H27 | H28 | 90.0° | 118.9° |
| NAO | CAX | SAS | NBG | 90.0° | 179.7° |
| NAO | CAX | NBG | CAM | 90.0° | 0.3° |
| NAO | CAX | NBG | CAN | 90.0° | 179.7° |
| CAX | NAO | CAJ | H27 | 90.0° | 120.1° |
| CAX | NAO | CAJ | H28 | 90.0° | 120.9° |
| SAS | CAX | NBG | CAM | 90.0° | 180.0° |
| SAS | CAX | NBG | CAN | 90.0° | 0.0° |
| CAX | SAS | CAK | H25 | 90.0° | 118.4° |
| CAX | SAS | CAK | H26 | 90.0° | 118.6° |
| CAX | NBG | CAM | CAN | 90.0° | 180.0° |
| CAX | NBG | CAM | CBA | 90.0° | 155.3° |
| CAX | NBG | CAN | CBA | 90.0° | 155.3° |
| CAX | NBG | CAN | H19 | 90.0° | 41.0° |
| CAX | NBG | CAN | H20 | 90.0° | 90.3° |
| CAX | NBG | CAM | H21 | 90.0° | 90.3° |
| CAX | NBG | CAM | H22 | 90.0° | 41.1° |
| NBG | CAM | CBA | H21 | 90.0° | 114.3° |
| NBG | CAM | CBA | H22 | 90.0° | 114.3° |
| NBG | CAM | CBA | CAN | 90.0° | 23.6° |
| NBG | CAM | CBA | SAT | 90.0° | 90.8° |
| NBG | CAM | CBA | H18 | 90.0° | 137.9° |
| CAM | NBG | CAN | H19 | 90.0° | 139.0° |
| CAM | NBG | CAN | H20 | 90.0° | 89.7° |
| NBG | CAM | H21 | H22 | 90.0° | 131.7° |
| CAM | CBA | CAN | SAT | 90.0° | 114.4° |
| CAM | CBA | CAN | H18 | 90.0° | 114.4° |
| CAM | CBA | SAT | H18 | 90.0° | 131.7° |
| CAM | CBA | SAT | CBE | 90.0° | 88.3° |
| CAM | CBA | CAN | H19 | 90.0° | 137.9° |
| CAM | CBA | CAN | H20 | 90.0° | 90.7° |
| CBA | CAM | H21 | H22 | 90.0° | 131.8° |
| NBG | CAN | CBA | H19 | 90.0° | 114.2° |
| NBG | CAN | CBA | H20 | 90.0° | 114.4° |
| NBG | CAN | CBA | SAT | 90.0° | 90.8° |
| NBG | CAN | CBA | H18 | 90.0° | 138.0° |
| NBG | CAN | H19 | H20 | 90.0° | 131.7° |
| CAN | NBG | CAM | H21 | 90.0° | 89.7° |
| CAN | NBG | CAM | H22 | 90.0° | 139.0° |
| OAI | CAZ | CBF | CBD | 90.0° | 60.0° |
| OAI | CAZ | CAC | CBF | 90.0° | 120.0° |
| OAI | CAZ | CAC | H3 | 90.0° | 120.0° |
| OAI | CAZ | CBF | H3 | 90.0° | 120.0° |
| OAI | CAZ | CBF | CAW | 90.0° | 180.0° |
| OAI | CAZ | CBF | H2 | 90.0° | 60.0° |
| OAI | CAZ | CAC | H4 | 90.0° | 60.0° |
| OAI | CAZ | CAC | H5 | 90.0° | 60.0° |
| OAI | CAZ | CAC | H6 | 90.0° | 180.0° |
| CAN | CBA | SAT | H18 | 90.0° | 131.6° |
| CAN | CBA | SAT | CBE | 90.0° | 175.0° |
| CBA | CAN | H19 | H20 | 90.0° | 131.8° |
| CAN | CBA | CAM | H21 | 90.0° | 90.6° |
| CAN | CBA | CAM | H22 | 90.0° | 137.9° |
| CBA | SAT | CBE | CBB | 90.0° | 175.0° |
| CBA | SAT | CBE | CAY | 90.0° | 70.6° |
| CBA | SAT | CBE | H17 | 90.0° | 52.2° |
| SAT | CBA | CAN | H19 | 90.0° | 23.5° |
| SAT | CBA | CAN | H20 | 90.0° | 154.9° |
| SAT | CBA | CAM | H21 | 90.0° | 155.0° |
| SAT | CBA | CAM | H22 | 90.0° | 23.5° |
| CBB | CBD | NAP | CBF | 90.0° | 118.9° |
| CBB | CBD | NAP | H8 | 90.0° | 118.9° |
| CBB | CBD | CBF | H8 | 90.0° | 122.2° |
| CBD | CBB | CAD | CBE | 90.0° | 111.4° |
| CBD | CBB | CAD | H9 | 90.0° | 124.2° |
| CBD | CBB | CBE | H9 | 90.0° | 117.9° |
| CBB | CBD | NAP | CAY | 90.0° | 16.2° |
| CBB | CBD | CBF | CAZ | 90.0° | 172.5° |
| CBD | CBB | CBE | SAT | 90.0° | 95.0° |
| CBD | CBB | CBE | CAY | 90.0° | 23.5° |
| CBB | CBD | CBF | CAW | 90.0° | 67.5° |
| CBB | CBD | CBF | H2 | 90.0° | 52.5° |
| CBD | CBB | CAD | H10 | 90.0° | 64.0° |
| CBD | CBB | CAD | H11 | 90.0° | 175.9° |
| CBD | CBB | CAD | H12 | 90.0° | 56.0° |
| CBD | CBB | CBE | H17 | 90.0° | 142.1° |
| NAP | CBD | CBF | H8 | 90.0° | 122.2° |
| NAP | CBD | CBB | CAD | 90.0° | 93.9° |
| NAP | CBD | CBB | CBE | 90.0° | 24.0° |
| NAP | CBD | CBF | CAZ | 90.0° | 71.9° |
| CBD | NAP | CAY | CBE | 90.0° | 0.1° |
| CBD | NAP | CAY | CAV | 90.0° | 179.9° |
| NAP | CBD | CBF | CAW | 90.0° | 48.2° |
| NAP | CBD | CBF | H2 | 90.0° | 168.1° |
| NAP | CBD | CBB | H9 | 90.0° | 142.0° |
| CBF | CBD | CBB | CAD | 90.0° | 25.0° |
| CBF | CBD | CBB | CBE | 90.0° | 142.9° |
| CBF | CBD | NAP | CAY | 90.0° | 135.1° |
| CBD | CBF | CAZ | CAC | 90.0° | 180.0° |
| CBD | CBF | CAZ | CAW | 90.0° | 120.0° |
| CBD | CBF | CAZ | H2 | 90.0° | 120.0° |
| CBD | CBF | CAW | H2 | 90.0° | 120.0° |
| CBD | CBF | CAW | OAG | 90.0° | 126.7° |
| CBD | CBF | CAW | H1 | 90.0° | 53.1° |
| CBD | CBF | CAZ | H3 | 90.0° | 60.0° |
| CBF | CBD | CBB | H9 | 90.0° | 99.1° |
| CAD | CBB | CBE | H9 | 90.0° | 124.2° |
| CAD | CBB | CBE | SAT | 90.0° | 147.1° |
| CAD | CBB | CBE | CAY | 90.0° | 94.3° |
| CAD | CBB | CBD | H8 | 90.0° | 147.2° |
| CBB | CAD | H10 | H11 | 90.0° | 120.0° |
| CBB | CAD | H10 | H12 | 90.0° | 120.0° |
| CBB | CAD | H11 | H12 | 90.0° | 120.0° |
| CAD | CBB | CBE | H17 | 90.0° | 24.2° |
| CBB | CBE | CAY | NAP | 90.0° | 15.9° |
| CBB | CBE | SAT | CAY | 90.0° | 114.3° |
| CBB | CBE | SAT | H17 | 90.0° | 122.9° |
| CBB | CBE | CAY | H17 | 90.0° | 118.6° |
| CBB | CBE | CAY | CAV | 90.0° | 164.1° |
| CBE | CBB | CBD | H8 | 90.0° | 95.0° |
| CBE | CBB | CAD | H10 | 90.0° | 47.4° |
| CBE | CBB | CAD | H11 | 90.0° | 72.7° |
| CBE | CBB | CAD | H12 | 90.0° | 167.4° |
| NAP | CAY | CBE | SAT | 90.0° | 102.6° |
| NAP | CAY | CBE | CAV | 90.0° | 180.0° |
| NAP | CAY | CAV | OAF | 90.0° | 179.9° |
| NAP | CAY | CAV | OAH | 90.0° | 0.0° |
| CAY | NAP | CBD | H8 | 90.0° | 102.7° |
| NAP | CAY | CBE | H17 | 90.0° | 134.5° |
| CAC | CAZ | CBF | H3 | 90.0° | 120.0° |
| CAC | CAZ | CBF | CAW | 90.0° | 60.0° |
| CAC | CAZ | CBF | H2 | 90.0° | 60.0° |
| CAZ | CAC | H4 | H5 | 90.0° | 120.1° |
| CAZ | CAC | H4 | H6 | 90.0° | 120.0° |
| CAZ | CAC | H5 | H6 | 90.0° | 120.0° |
| CAC | CAZ | OAI | H7 | 90.0° | 60.0° |
| CAZ | CBF | CAW | H2 | 90.0° | 120.0° |
| CAZ | CBF | CAW | OAG | 90.0° | 113.3° |
| CAZ | CBF | CAW | H1 | 90.0° | 66.9° |
| CBF | CAZ | CAC | H4 | 90.0° | 60.0° |
| CBF | CAZ | CAC | H5 | 90.0° | 179.9° |
| CBF | CAZ | CAC | H6 | 90.0° | 60.0° |
| CBF | CAZ | OAI | H7 | 90.0° | 60.0° |
| CAZ | CBF | CBD | H8 | 90.0° | 50.3° |
| SAT | CBE | CAY | H17 | 90.0° | 122.9° |
| SAT | CBE | CAY | CAV | 90.0° | 77.4° |
| SAT | CBE | CBB | H9 | 90.0° | 22.9° |
| CBE | SAT | CBA | H18 | 90.0° | 43.4° |
| CBE | CAY | CAV | OAF | 90.0° | 0.1° |
| CBE | CAY | CAV | OAH | 90.0° | 180.0° |
| CAY | CBE | CBB | H9 | 90.0° | 141.5° |
| CAY | CAV | OAF | OAH | 90.0° | 179.9° |
| CAY | CAV | OAH | H16 | 90.0° | 180.0° |
| CAV | CAY | CBE | H17 | 90.0° | 45.5° |
| CBF | CAW | OAG | H1 | 90.0° | 179.7° |
| CAW | CBF | CAZ | H3 | 90.0° | 60.0° |
| CAW | CBF | CBD | H8 | 90.0° | 170.3° |
| OAF | CAV | OAH | H16 | 90.0° | 0.1° |
| OAG | CAW | CBF | H2 | 90.0° | 6.7° |
| H1 | CAW | CBF | H2 | 90.0° | 173.0° |
| H2 | CBF | CAZ | H3 | 90.0° | NaN° |
| H2 | CBF | CBD | H8 | 90.0° | 69.7° |
| H3 | CAZ | CAC | H4 | 90.0° | 180.0° |
| H3 | CAZ | CAC | H5 | 90.0° | 59.9° |
| H3 | CAZ | CAC | H6 | 90.0° | 60.0° |
| H3 | CAZ | OAI | H7 | 90.0° | 180.0° |
| H4 | CAC | H5 | H6 | 90.0° | 119.9° |
| H8 | CBD | CBB | H9 | 90.0° | 23.0° |
| H9 | CBB | CAD | H10 | 90.0° | 171.7° |
| H9 | CBB | CAD | H11 | 90.0° | 51.7° |
| H9 | CBB | CAD | H12 | 90.0° | 68.3° |
| H9 | CBB | CBE | H17 | 90.0° | 100.0° |
| H10 | CAD | H11 | H12 | 90.0° | 119.9° |
| H18 | CBA | CAN | H19 | 90.0° | 107.7° |
| H18 | CBA | CAN | H20 | 90.0° | 23.7° |
| H18 | CBA | CAM | H21 | 90.0° | 23.7° |
| H18 | CBA | CAM | H22 | 90.0° | 107.8° |
| H25 | CAK | CAJ | H27 | 90.0° | 2.2° |
| H25 | CAK | CAJ | H28 | 90.0° | 121.3° |
| H26 | CAK | CAJ | H27 | 90.0° | 120.8° |
| H26 | CAK | CAJ | H28 | 90.0° | 1.8° |
