EDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | OAT | sing | 1.43Å | 1.43Å | |
| CAB | OAR | sing | 1.43Å | 1.43Å | |
| OAS | CBB | sing | 1.36Å | 1.36Å | |
| OAS | CAC | sing | 1.43Å | 1.43Å | |
| CAM | CBB | doub | 1.39Å | 1.38Å | Aromatic |
| CAM | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CBB | CBE | sing | 1.39Å | 1.38Å | Aromatic |
| NAQ | CAW | sing | 1.40Å | 1.33Å | |
| NAQ | C2 | sing | 1.39Å | 1.33Å | |
| CAW | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CBE | OAT | sing | 1.36Å | 1.36Å | |
| CBE | CBA | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CBA | OAR | sing | 1.36Å | 1.36Å | |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.39Å | Aromatic |
| CAJ | CBC | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| CBC | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
| CBC | CAV | sing | 1.48Å | 1.39Å | |
| CAZ | OAU | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | OAU | sing | 1.36Å | 1.36Å | |
| C5 | BR5 | sing | 1.89Å | 1.87Å | |
| CAV | OAE | doub | 1.22Å | 1.23Å | |
| CAV | NAP | sing | 1.35Å | 1.34Å | |
| NAP | CAA | sing | 1.47Å | 1.47Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| NAQ | H13 | sing | 0.97Å | 1.00Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| NAP | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | OAT | CBE | 111.6° | 117.0° |
| OAT | CAD | H6 | 109.5° | 109.5° |
| OAT | CAD | H7 | 109.5° | 109.4° |
| OAT | CAD | H8 | 109.5° | 109.5° |
| CAB | OAR | CBA | 110.1° | 117.0° |
| OAR | CAB | H2 | 109.5° | 109.4° |
| OAR | CAB | H3 | 109.4° | 109.5° |
| OAR | CAB | H4 | 109.4° | 109.5° |
| CBB | OAS | CAC | 110.6° | 117.0° |
| OAS | CBB | CAM | 123.3° | 120.1° |
| OAS | CBB | CBE | 117.1° | 120.0° |
| OAS | CAC | H9 | 109.5° | 109.5° |
| OAS | CAC | H10 | 109.4° | 109.5° |
| OAS | CAC | H11 | 109.5° | 109.5° |
| CBB | CAM | CAW | 119.6° | 120.0° |
| CAM | CBB | CBE | 119.6° | 119.9° |
| CBB | CAM | H12 | 120.2° | 120.0° |
| CAM | CAW | NAQ | 118.8° | 120.0° |
| CAM | CAW | CAL | 120.6° | 120.0° |
| CAW | CAM | H12 | 120.2° | 120.0° |
| CBB | CBE | OAT | 119.8° | 120.0° |
| CBB | CBE | CBA | 121.2° | 120.0° |
| CAW | NAQ | C2 | 118.9° | 120.0° |
| NAQ | CAW | CAL | 120.6° | 120.0° |
| CAW | NAQ | H13 | 120.5° | 120.0° |
| NAQ | C2 | N1 | 118.3° | 119.1° |
| NAQ | C2 | N3 | 121.0° | 119.2° |
| C2 | NAQ | H13 | 120.6° | 120.0° |
| CAW | CAL | CBA | 119.2° | 120.0° |
| CAW | CAL | H5 | 120.4° | 120.0° |
| OAT | CBE | CBA | 119.0° | 120.0° |
| CBE | CBA | CAL | 119.7° | 120.0° |
| CBE | CBA | OAR | 116.8° | 120.0° |
| CAL | CBA | OAR | 123.4° | 120.0° |
| CBA | CAL | H5 | 120.4° | 120.0° |
| CAG | CAH | CAJ | 120.3° | 120.3° |
| CAH | CAG | CAI | 120.0° | 120.4° |
| CAH | CAG | H15 | 120.0° | 119.9° |
| CAG | CAH | H16 | 119.9° | 119.8° |
| CAH | CAJ | CBC | 120.2° | 119.9° |
| CAJ | CAH | H16 | 119.9° | 119.9° |
| CAH | CAJ | H17 | 119.9° | 120.1° |
| CAG | CAI | CAZ | 119.3° | 120.1° |
| CAG | CAI | H14 | 120.4° | 120.0° |
| CAI | CAG | H15 | 120.0° | 119.8° |
| N1 | C2 | N3 | 120.7° | 121.7° |
| C2 | N1 | C6 | 120.9° | 120.9° |
| C2 | N3 | C4 | 120.5° | 120.7° |
| N1 | C6 | C5 | 118.5° | 119.3° |
| N1 | C6 | H1 | 120.7° | 120.4° |
| CAJ | CBC | CAZ | 119.0° | 119.6° |
| CAJ | CBC | CAV | 119.2° | 120.2° |
| CBC | CAJ | H17 | 119.9° | 120.0° |
| CAI | CAZ | CBC | 121.3° | 119.7° |
| CAI | CAZ | OAU | 122.1° | 120.1° |
| CAZ | CAI | H14 | 120.4° | 119.9° |
| N3 | C4 | C5 | 121.2° | 119.1° |
| N3 | C4 | OAU | 122.0° | 120.5° |
| C6 | C5 | C4 | 118.1° | 118.5° |
| C6 | C5 | BR5 | 119.7° | 120.8° |
| C5 | C6 | H1 | 120.8° | 120.3° |
| CAZ | CBC | CAV | 121.7° | 120.2° |
| CBC | CAZ | OAU | 116.6° | 120.2° |
| CBC | CAV | OAE | 120.3° | 120.0° |
| CBC | CAV | NAP | 115.9° | 120.0° |
| CAZ | OAU | C4 | 109.8° | 118.0° |
| C5 | C4 | OAU | 116.7° | 120.5° |
| C4 | C5 | BR5 | 122.2° | 120.8° |
| OAE | CAV | NAP | 123.7° | 120.0° |
| CAV | NAP | CAA | 117.0° | 120.0° |
| CAV | NAP | H18 | 121.5° | 120.1° |
| NAP | CAA | H19 | 109.5° | 109.5° |
| NAP | CAA | H20 | 109.5° | 109.5° |
| NAP | CAA | H21 | 109.5° | 109.5° |
| CAA | NAP | H18 | 121.5° | 120.0° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H4 | 109.5° | 109.5° |
| H3 | CAB | H4 | 109.5° | 109.5° |
| H6 | CAD | H7 | 109.5° | 109.5° |
| H6 | CAD | H8 | 109.5° | 109.5° |
| H7 | CAD | H8 | 109.5° | 109.5° |
| H9 | CAC | H10 | 109.5° | 109.5° |
| H9 | CAC | H11 | 109.5° | 109.5° |
| H10 | CAC | H11 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H21 | 109.4° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | OAT | CBE | CBB | 58.9° | 90.0° |
| CAD | OAT | CBE | CBA | 121.8° | 90.0° |
| OAT | CAD | H6 | H7 | 120.0° | 120.0° |
| OAT | CAD | H6 | H8 | 120.0° | 120.0° |
| OAT | CAD | H7 | H8 | 120.0° | 120.0° |
| CAB | OAR | CBA | CBE | 67.4° | 179.8° |
| CAB | OAR | CBA | CAL | 112.9° | 0.0° |
| OAR | CAB | H2 | H3 | 120.0° | 120.0° |
| OAR | CAB | H2 | H4 | 120.0° | 120.0° |
| OAR | CAB | H3 | H4 | 120.0° | 120.0° |
| OAS | CBB | CAM | CBE | 179.3° | 180.0° |
| OAS | CBB | CAM | CAW | 180.0° | 179.8° |
| OAS | CBB | CBE | OAT | 0.8° | 0.0° |
| OAS | CBB | CBE | CBA | 179.8° | 180.0° |
| CBB | OAS | CAC | H9 | 180.0° | 60.0° |
| CBB | OAS | CAC | H10 | 60.0° | 60.0° |
| CBB | OAS | CAC | H11 | 60.0° | 180.0° |
| OAS | CBB | CAM | H12 | 0.0° | 0.0° |
| CAC | OAS | CBB | CAM | 114.9° | 0.0° |
| CAC | OAS | CBB | CBE | 65.8° | 180.0° |
| OAS | CAC | H9 | H10 | 120.0° | 120.0° |
| OAS | CAC | H9 | H11 | 120.0° | 120.0° |
| OAS | CAC | H10 | H11 | 120.0° | 120.0° |
| CBB | CAM | CAW | H12 | 180.0° | 179.8° |
| CBB | CAM | CAW | NAQ | 180.0° | 180.0° |
| CBB | CAM | CAW | CAL | 0.5° | 0.3° |
| CAM | CBB | CBE | OAT | 179.9° | 180.0° |
| CAM | CBB | CBE | CBA | 0.5° | 0.0° |
| CAW | CAM | CBB | CBE | 0.7° | 0.2° |
| CAM | CAW | NAQ | CAL | 179.5° | 179.7° |
| CAM | CAW | NAQ | C2 | 149.7° | 34.5° |
| CAM | CAW | CAL | CBA | 0.1° | 0.1° |
| CAM | CAW | CAL | H5 | 179.9° | 180.0° |
| CAM | CAW | NAQ | H13 | 30.3° | 145.6° |
| CBB | CBE | OAT | CBA | 179.4° | 180.0° |
| CBB | CBE | CBA | CAL | 0.2° | 0.2° |
| CBB | CBE | CBA | OAR | 179.5° | 180.0° |
| CBE | CBB | CAM | H12 | 179.3° | 180.0° |
| CAW | NAQ | C2 | H13 | 180.0° | 180.0° |
| NAQ | CAW | CAL | CBA | 179.6° | 179.8° |
| CAW | NAQ | C2 | N1 | 166.6° | 6.1° |
| CAW | NAQ | C2 | N3 | 13.8° | 173.7° |
| NAQ | CAW | CAL | H5 | 0.4° | 0.2° |
| NAQ | CAW | CAM | H12 | 0.0° | 0.2° |
| C2 | NAQ | CAW | CAL | 30.7° | 145.3° |
| NAQ | C2 | N1 | N3 | 179.6° | 179.7° |
| NAQ | C2 | N1 | C6 | 179.9° | 180.0° |
| NAQ | C2 | N3 | C4 | 179.7° | 179.7° |
| CAW | CAL | CBA | CBE | 0.1° | 0.2° |
| CAW | CAL | CBA | H5 | 180.0° | 180.0° |
| CAW | CAL | CBA | OAR | 179.7° | 180.0° |
| CAL | CAW | CAM | H12 | 179.5° | 180.0° |
| CAL | CAW | NAQ | H13 | 149.2° | 34.7° |
| OAT | CBE | CBA | CAL | 179.5° | 179.8° |
| OAT | CBE | CBA | OAR | 0.2° | 0.0° |
| CBE | OAT | CAD | H6 | 180.0° | 60.0° |
| CBE | OAT | CAD | H7 | 60.0° | 180.0° |
| CBE | OAT | CAD | H8 | 60.0° | 60.0° |
| CBE | CBA | CAL | OAR | 179.7° | 179.8° |
| CBE | CBA | CAL | H5 | 179.9° | 179.8° |
| CBA | OAR | CAB | H2 | 180.0° | 60.0° |
| CBA | OAR | CAB | H3 | 60.0° | 60.0° |
| CBA | OAR | CAB | H4 | 60.0° | 180.0° |
| OAR | CBA | CAL | H5 | 0.2° | 0.0° |
| CAG | CAH | CAJ | H16 | 180.0° | 179.9° |
| CAH | CAG | CAI | H15 | 180.0° | 180.0° |
| CAG | CAH | CAJ | CBC | 0.1° | 0.3° |
| CAH | CAG | CAI | CAZ | 0.1° | 0.0° |
| CAH | CAG | CAI | H14 | 179.9° | 180.0° |
| CAG | CAH | CAJ | H17 | 179.9° | 179.9° |
| CAJ | CAH | CAG | CAI | 0.0° | 0.0° |
| CAH | CAJ | CBC | H17 | 180.0° | 179.8° |
| CAH | CAJ | CBC | CAZ | 0.1° | 0.5° |
| CAH | CAJ | CBC | CAV | 180.0° | 180.0° |
| CAJ | CAH | CAG | H15 | 180.0° | 180.0° |
| CAG | CAI | CAZ | H14 | 180.0° | 180.0° |
| CAG | CAI | CAZ | CBC | 0.1° | 0.3° |
| CAG | CAI | CAZ | OAU | 179.9° | 180.0° |
| CAI | CAG | CAH | H16 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.5° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | H1 | 179.7° | 180.0° |
| N1 | C2 | NAQ | H13 | 13.5° | 173.9° |
| N3 | C2 | N1 | C6 | 0.3° | 0.2° |
| C2 | N3 | C4 | C5 | 0.1° | 0.5° |
| C2 | N3 | C4 | OAU | 179.8° | 179.7° |
| N3 | C2 | NAQ | H13 | 166.2° | 6.4° |
| N1 | C6 | C5 | H1 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | BR5 | 179.9° | 179.9° |
| CAJ | CBC | CAZ | CAI | 0.1° | 0.5° |
| CAJ | CBC | CAZ | CAV | 179.9° | 179.5° |
| CAJ | CBC | CAZ | OAU | 180.0° | 179.7° |
| CAJ | CBC | CAV | OAE | 15.1° | 180.0° |
| CAJ | CBC | CAV | NAP | 164.2° | 0.0° |
| CBC | CAJ | CAH | H16 | 179.9° | 179.8° |
| CAI | CAZ | CBC | OAU | 180.0° | 179.7° |
| CAI | CAZ | CBC | CAV | 180.0° | 180.0° |
| CAI | CAZ | OAU | C4 | 44.3° | 98.2° |
| CAZ | CAI | CAG | H15 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.3° |
| N3 | C4 | OAU | CAZ | 95.3° | 5.2° |
| N3 | C4 | C5 | OAU | 179.7° | 179.7° |
| N3 | C4 | C5 | BR5 | 179.9° | 179.8° |
| C6 | C5 | C4 | BR5 | 179.9° | 180.0° |
| C6 | C5 | C4 | OAU | 179.8° | 180.0° |
| CBC | CAZ | OAU | C4 | 135.7° | 81.5° |
| CAZ | CBC | CAV | OAE | 164.8° | 0.5° |
| CAZ | CBC | CAV | NAP | 15.8° | 179.5° |
| CBC | CAZ | CAI | H14 | 179.9° | 179.8° |
| CAZ | CBC | CAJ | H17 | 179.9° | 179.7° |
| CAV | CBC | CAZ | OAU | 0.1° | 0.2° |
| CBC | CAV | OAE | NAP | 179.3° | 180.0° |
| CBC | CAV | NAP | CAA | 179.8° | 180.0° |
| CAV | CBC | CAJ | H17 | 0.0° | 0.2° |
| CBC | CAV | NAP | H18 | 0.2° | 0.0° |
| CAZ | OAU | C4 | C5 | 85.0° | 175.1° |
| OAU | CAZ | CAI | H14 | 0.1° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| OAU | C4 | C5 | BR5 | 0.3° | 0.0° |
| BR5 | C5 | C6 | H1 | 0.1° | 0.0° |
| OAE | CAV | NAP | CAA | 0.5° | 0.0° |
| OAE | CAV | NAP | H18 | 179.6° | 180.0° |
| CAV | NAP | CAA | H18 | 180.0° | 180.0° |
| CAV | NAP | CAA | H19 | 180.0° | 180.0° |
| CAV | NAP | CAA | H20 | 60.0° | 60.0° |
| CAV | NAP | CAA | H21 | 60.0° | 60.0° |
| NAP | CAA | H19 | H20 | 120.0° | 120.0° |
| NAP | CAA | H19 | H21 | 120.0° | 120.0° |
| NAP | CAA | H20 | H21 | 120.0° | 120.0° |
| H2 | CAB | H3 | H4 | 120.0° | 120.0° |
| H6 | CAD | H7 | H8 | 120.0° | 120.0° |
| H9 | CAC | H10 | H11 | 120.0° | 120.0° |
| H14 | CAI | CAG | H15 | 0.1° | 0.0° |
| H15 | CAG | CAH | H16 | 0.1° | 0.1° |
| H16 | CAH | CAJ | H17 | 0.0° | 0.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
| H19 | CAA | NAP | H18 | 0.0° | 0.0° |
| H20 | CAA | NAP | H18 | 120.0° | 120.0° |
| H21 | CAA | NAP | H18 | 120.0° | 120.0° |
