E3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAX | CAW | doub | 1.22Å | 1.24Å | |
| NAG | CAF | sing | 1.40Å | 1.37Å | |
| NAG | C2 | sing | 1.39Å | 1.36Å | |
| CAA | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| NAV | CAW | sing | 1.35Å | 1.37Å | |
| NAV | CAT | sing | 1.40Å | 1.37Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAY | sing | 1.47Å | 1.53Å | |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | CL5 | sing | 1.74Å | 1.73Å | |
| CAU | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | NAO | sing | 1.39Å | 1.36Å | |
| NAO | CAP | sing | 1.40Å | 1.35Å | |
| CAP | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.33Å | 1.53Å | |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| NAG | H7 | sing | 0.97Å | 1.00Å | |
| NAO | H8 | sing | 0.97Å | 1.00Å | |
| CAU | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| CAR | H11 | sing | 1.08Å | 1.08Å | |
| CAS | H12 | sing | 1.08Å | 1.08Å | |
| NAV | H13 | sing | 0.97Å | 1.00Å | |
| CAY | H14 | sing | 1.08Å | 1.08Å | |
| CAZ | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAX | CAW | NAV | 122.4° | 120.0° |
| OAX | CAW | CAY | 116.7° | 120.0° |
| CAF | NAG | C2 | 126.8° | 120.0° |
| NAG | CAF | CAA | 117.6° | 120.1° |
| NAG | CAF | CAE | 125.0° | 120.1° |
| CAF | NAG | H7 | 116.6° | 120.0° |
| NAG | C2 | N1 | 116.1° | 119.2° |
| NAG | C2 | N3 | 125.3° | 119.2° |
| C2 | NAG | H7 | 116.6° | 120.0° |
| CAF | CAA | CAB | 121.8° | 119.9° |
| CAA | CAF | CAE | 117.4° | 119.9° |
| CAF | CAA | H2 | 119.1° | 120.1° |
| CAA | CAB | CAC | 119.9° | 120.1° |
| CAB | CAA | H2 | 119.1° | 120.0° |
| CAA | CAB | H3 | 120.0° | 120.0° |
| C2 | N1 | C6 | 122.3° | 120.9° |
| N1 | C2 | N3 | 118.6° | 121.7° |
| N1 | C6 | C5 | 118.2° | 119.3° |
| N1 | C6 | H1 | 120.9° | 120.3° |
| CAF | CAE | CAD | 121.3° | 119.9° |
| CAF | CAE | H6 | 119.4° | 120.0° |
| CAW | NAV | CAT | 129.6° | 120.0° |
| NAV | CAW | CAY | 120.8° | 120.0° |
| CAW | NAV | H13 | 115.2° | 120.0° |
| NAV | CAT | CAU | 116.9° | 120.1° |
| NAV | CAT | CAS | 125.4° | 120.0° |
| CAT | NAV | H13 | 115.2° | 120.0° |
| C2 | N3 | C4 | 122.8° | 120.6° |
| CAB | CAC | CAD | 119.1° | 120.2° |
| CAC | CAB | H3 | 120.0° | 120.0° |
| CAB | CAC | H4 | 120.5° | 119.9° |
| CAE | CAD | CAC | 120.5° | 120.1° |
| CAE | CAD | H5 | 119.7° | 120.0° |
| CAD | CAE | H6 | 119.4° | 120.0° |
| C6 | C5 | C4 | 119.1° | 118.5° |
| C6 | C5 | CL5 | 118.5° | 120.8° |
| C5 | C6 | H1 | 120.9° | 120.4° |
| CAW | CAY | CAZ | 113.9° | 120.0° |
| CAW | CAY | H14 | 123.0° | 120.0° |
| CAD | CAC | H4 | 120.4° | 119.9° |
| CAC | CAD | H5 | 119.7° | 120.0° |
| N3 | C4 | C5 | 118.9° | 119.0° |
| N3 | C4 | NAO | 125.0° | 120.5° |
| C4 | C5 | CL5 | 122.4° | 120.8° |
| C5 | C4 | NAO | 116.1° | 120.5° |
| CAT | CAU | CAP | 122.2° | 119.9° |
| CAU | CAT | CAS | 117.5° | 119.9° |
| CAT | CAU | H9 | 118.9° | 120.1° |
| CAU | CAP | NAO | 119.6° | 120.1° |
| CAU | CAP | CAQ | 118.7° | 119.9° |
| CAP | CAU | H9 | 118.9° | 120.0° |
| CAT | CAS | CAR | 121.4° | 120.1° |
| CAT | CAS | H12 | 119.3° | 119.9° |
| C4 | NAO | CAP | 121.4° | 120.0° |
| C4 | NAO | H8 | 119.3° | 120.0° |
| NAO | CAP | CAQ | 121.7° | 120.0° |
| CAP | NAO | H8 | 119.3° | 120.0° |
| CAP | CAQ | CAR | 120.1° | 120.1° |
| CAP | CAQ | H10 | 120.0° | 120.0° |
| CAS | CAR | CAQ | 120.1° | 120.2° |
| CAS | CAR | H11 | 120.0° | 120.0° |
| CAR | CAS | H12 | 119.3° | 120.0° |
| CAZ | CAY | H14 | 123.1° | 120.0° |
| CAY | CAZ | H16 | 120.0° | 120.0° |
| CAY | CAZ | H17 | 120.0° | 120.0° |
| CAR | CAQ | H10 | 119.9° | 119.9° |
| CAQ | CAR | H11 | 120.0° | 119.9° |
| H16 | CAZ | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAX | CAW | NAV | CAY | 177.6° | 180.0° |
| OAX | CAW | NAV | CAT | 177.2° | 5.1° |
| OAX | CAW | CAY | CAZ | 0.8° | 0.0° |
| OAX | CAW | NAV | H13 | 2.8° | 174.8° |
| OAX | CAW | CAY | H14 | 179.2° | 180.0° |
| CAF | NAG | C2 | H7 | 180.0° | 180.0° |
| NAG | CAF | CAA | CAE | 179.2° | 180.0° |
| NAG | CAF | CAA | CAB | 179.9° | 180.0° |
| CAF | NAG | C2 | N1 | 173.2° | 5.3° |
| CAF | NAG | C2 | N3 | 7.6° | 174.5° |
| NAG | CAF | CAE | CAD | 179.5° | 180.0° |
| NAG | CAF | CAA | H2 | 0.1° | 0.3° |
| NAG | CAF | CAE | H6 | 0.6° | 0.0° |
| C2 | NAG | CAF | CAA | 163.6° | 33.7° |
| NAG | C2 | N1 | N3 | 179.2° | 179.8° |
| NAG | C2 | N1 | C6 | 179.3° | 180.0° |
| C2 | NAG | CAF | CAE | 17.3° | 146.4° |
| NAG | C2 | N3 | C4 | 179.9° | 179.7° |
| CAF | CAA | CAB | H2 | 180.0° | 179.8° |
| CAF | CAA | CAB | CAC | 0.7° | 0.1° |
| CAA | CAF | CAE | CAD | 0.3° | 0.0° |
| CAF | CAA | CAB | H3 | 179.3° | 180.0° |
| CAA | CAF | CAE | H6 | 179.7° | 180.0° |
| CAA | CAF | NAG | H7 | 16.4° | 146.3° |
| CAB | CAA | CAF | CAE | 0.9° | 0.1° |
| CAA | CAB | CAC | H3 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.0° | 0.1° |
| CAA | CAB | CAC | H4 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | C4 | 0.7° | 0.5° |
| C2 | N1 | C6 | H1 | 179.9° | 180.0° |
| N1 | C2 | NAG | H7 | 6.8° | 174.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | CL5 | 179.5° | 180.0° |
| CAF | CAE | CAD | H6 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.3° | 0.0° |
| CAE | CAF | CAA | H2 | 179.1° | 179.7° |
| CAF | CAE | CAD | H5 | 179.6° | 180.0° |
| CAE | CAF | NAG | H7 | 162.7° | 33.6° |
| CAW | NAV | CAT | H13 | 180.0° | 179.9° |
| CAW | NAV | CAT | CAU | 154.4° | 146.4° |
| CAW | NAV | CAT | CAS | 30.3° | 33.7° |
| NAV | CAW | CAY | CAZ | 176.9° | 180.0° |
| NAV | CAW | CAY | H14 | 3.1° | 0.0° |
| CAT | NAV | CAW | CAY | 5.2° | 174.9° |
| NAV | CAT | CAU | CAS | 175.7° | 179.9° |
| NAV | CAT | CAU | CAP | 177.4° | 180.0° |
| NAV | CAT | CAS | CAR | 177.6° | 179.8° |
| NAV | CAT | CAU | H9 | 2.6° | 0.1° |
| NAV | CAT | CAS | H12 | 2.4° | 0.0° |
| C2 | N3 | C4 | C5 | 1.3° | 0.5° |
| C2 | N3 | C4 | NAO | 179.5° | 179.8° |
| N3 | C2 | NAG | H7 | 172.4° | 5.5° |
| CAB | CAC | CAD | CAE | 0.5° | 0.0° |
| CAB | CAC | CAD | H4 | 180.0° | 179.9° |
| CAC | CAB | CAA | H2 | 179.3° | 179.7° |
| CAB | CAC | CAD | H5 | 179.5° | 179.9° |
| CAE | CAD | CAC | H5 | 180.0° | 180.0° |
| CAE | CAD | CAC | H4 | 179.5° | 179.9° |
| C6 | C5 | C4 | N3 | 1.1° | 0.2° |
| C6 | C5 | C4 | CL5 | 179.9° | 180.0° |
| C6 | C5 | C4 | NAO | 179.5° | 180.0° |
| CAW | CAY | CAZ | H14 | 180.0° | 180.0° |
| CAY | CAW | NAV | H13 | 174.8° | 5.2° |
| CAW | CAY | CAZ | H16 | 180.0° | 0.0° |
| CAW | CAY | CAZ | H17 | 0.0° | 180.0° |
| CAD | CAC | CAB | H3 | 179.9° | 180.0° |
| CAC | CAD | CAE | H6 | 179.7° | 180.0° |
| N3 | C4 | C5 | NAO | 178.4° | 179.7° |
| N3 | C4 | C5 | CL5 | 178.8° | 179.8° |
| N3 | C4 | NAO | CAP | 5.3° | 0.1° |
| N3 | C4 | NAO | H8 | 174.6° | 180.0° |
| C5 | C4 | NAO | CAP | 173.0° | 179.6° |
| C4 | C5 | C6 | H1 | 179.6° | 180.0° |
| C5 | C4 | NAO | H8 | 7.0° | 0.3° |
| CL5 | C5 | C4 | NAO | 0.4° | 0.0° |
| CL5 | C5 | C6 | H1 | 0.5° | 0.0° |
| CAT | CAU | CAP | H9 | 180.0° | 179.9° |
| CAT | CAU | CAP | NAO | 178.5° | 180.0° |
| CAT | CAU | CAP | CAQ | 0.2° | 0.3° |
| CAU | CAT | CAS | CAR | 2.3° | 0.2° |
| CAU | CAT | CAS | H12 | 177.7° | 179.9° |
| CAU | CAT | NAV | H13 | 25.6° | 33.5° |
| CAP | CAU | CAT | CAS | 1.7° | 0.1° |
| CAU | CAP | NAO | C4 | 130.8° | 35.1° |
| CAU | CAP | NAO | CAQ | 178.6° | 179.7° |
| CAU | CAP | CAQ | CAR | 0.8° | 0.3° |
| CAU | CAP | NAO | H8 | 49.2° | 144.8° |
| CAU | CAP | CAQ | H10 | 179.2° | 179.8° |
| CAT | CAS | CAR | H12 | 180.0° | 179.7° |
| CAT | CAS | CAR | CAQ | 1.4° | 0.2° |
| CAS | CAT | CAU | H9 | 178.3° | 180.0° |
| CAT | CAS | CAR | H11 | 178.6° | 179.7° |
| CAS | CAT | NAV | H13 | 149.7° | 146.4° |
| C4 | NAO | CAP | H8 | 180.0° | 179.9° |
| C4 | NAO | CAP | CAQ | 50.5° | 145.2° |
| NAO | CAP | CAQ | CAR | 179.5° | 180.0° |
| NAO | CAP | CAU | H9 | 1.5° | 0.1° |
| NAO | CAP | CAQ | H10 | 0.6° | 0.1° |
| CAP | CAQ | CAR | CAS | 0.2° | 0.0° |
| CAP | CAQ | CAR | H10 | 180.0° | 180.0° |
| CAQ | CAP | NAO | H8 | 129.4° | 34.8° |
| CAQ | CAP | CAU | H9 | 179.8° | 179.8° |
| CAP | CAQ | CAR | H11 | 179.8° | 180.0° |
| CAS | CAR | CAQ | H11 | 180.0° | 180.0° |
| CAS | CAR | CAQ | H10 | 179.8° | 180.0° |
| CAY | CAZ | H16 | H17 | 180.0° | 179.9° |
| CAQ | CAR | CAS | H12 | 178.6° | 180.0° |
| H2 | CAA | CAB | H3 | 0.8° | 0.3° |
| H3 | CAB | CAC | H4 | 0.1° | 0.1° |
| H4 | CAC | CAD | H5 | 0.5° | 0.1° |
| H5 | CAD | CAE | H6 | 0.4° | 0.1° |
| H10 | CAQ | CAR | H11 | 0.2° | 0.1° |
| H11 | CAR | CAS | H12 | 1.4° | 0.0° |
| H14 | CAY | CAZ | H16 | 0.0° | 179.9° |
| H14 | CAY | CAZ | H17 | 180.0° | 0.0° |
